BEGIN IONS TITLE=CCMSLIB00005723212 PEPMASS=335.106674 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=20.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_A2_Benzylpenicillin_potassium.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Benzylpenicillin_20eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=[H][C@]12SC(C)([C@H](C(O)=O)N1C([C@H]2NC(Cc3ccccc3)=O)=O)C INCHI=InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1 INCHIAUX=JGSARLDLIJGVTE-MBNYWOFBSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723212 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723212 SCANS=215616 54.034114837646484 366.41876220703125 55.0538330078125 122.77789306640625 58.994293212890625 120.4505844116211 69.0454330444336 433.0 69.07774353027344 8.166666984558105 69.36666870117188 7.199999809265137 70.02806854248047 242.69557189941406 70.06494140625 2053.75341796875 70.09674835205078 37.245689392089844 70.12969970703125 39.31578826904297 70.3068618774414 14.399999618530273 74.00579833984375 241.7042236328125 79.05574035644531 119.53500366210938 82.06236267089844 55.20990753173828 83.05949401855469 165.97622680664062 83.48284149169922 67.01461029052734 84.25375366210938 5.625 85.03876495361328 182.81971740722656 87.02574920654297 575.7926025390625 87.06095886230469 8.284090995788574 89.01763916015625 122.52155303955078 91.0539321899414 5792.91015625 91.19314575195312 22.40833282470703 91.40164947509766 24.024999618530273 92.05665588378906 279.8782043457031 92.3462142944336 42.25 94.66558837890625 15.041666984558105 98.0236587524414 2452.361328125 98.0597152709961 495.3125 98.09529876708984 7.160714149475098 98.1299819946289 19.69444465637207 98.23374938964844 40.32012176513672 98.25677490234375 13.0054349899292 98.54612731933594 11.125 98.67312622070312 10.083333015441895 99.05419158935547 186.59434509277344 100.03878021240234 238.14035034179688 100.07844543457031 6.041666507720947 101.04072570800781 177.05262756347656 101.06578063964844 10.225000381469727 101.08906555175781 10.027777671813965 114.0367660522461 11098.490234375 114.1041488647461 34.880435943603516 114.25997924804688 31.003787994384766 114.28562927246094 65.26535034179688 114.31938934326172 9.0 114.3416519165039 10.0 114.41967010498047 60.76005935668945 114.64364624023438 26.04166603088379 115.04022979736328 279.9589538574219 115.10783386230469 5.013888835906982 116.07080841064453 851.3516235351562 116.11270141601562 20.59558868408203 116.1348876953125 51.181819915771484 120.08007049560547 1551.7376708984375 120.12158966064453 21.049999237060547 121.08218383789062 132.90017700195312 121.10659790039062 8.446428298950195 123.06770324707031 48.79999923706055 126.03683471679688 186.0006866455078 128.05198669433594 1964.232666015625 128.10507202148438 47.22282791137695 129.03378295898438 128.12820434570312 130.06399536132812 108.71610260009766 136.07472229003906 266.4036560058594 136.11874389648438 12.166666984558105 137.04115295410156 81.57499694824219 137.188720703125 6.0625 139.0206756591797 91.14814758300781 142.03114318847656 958.3557739257812 143.06300354003906 994.5696411132812 143.10804748535156 16.25 144.0650634765625 41.00833511352539 145.0069580078125 167.45777893066406 145.0368194580078 39.603572845458984 146.0634002685547 226.2802734375 148.07357788085938 82.17391204833984 156.06491088867188 58.01388931274414 159.09060668945312 937.4694213867188 159.15780639648438 12.208333015441895 160.04254150390625 53134.35546875 160.24371337890625 53.599998474121094 160.3015594482422 87.3712158203125 160.3295135498047 48.005435943603516 160.35658264160156 39.011905670166016 160.37867736816406 138.0625 160.4246826171875 31.961956024169922 160.46156311035156 11.074999809265137 160.5102996826172 15.69444465637207 160.54547119140625 42.88461685180664 160.57594299316406 25.014705657958984 160.7123260498047 8.125 160.89292907714844 21.446428298950195 161.0455780029297 1846.583984375 161.10447692871094 24.1875 161.128662109375 6.375 161.2265167236328 25.5 161.6514129638672 5.0 162.10647583007812 18.375 162.49105834960938 11.017857551574707 162.88552856445312 18.090909957885742 163.91976928710938 12.011363983154297 171.0584716796875 504.13043212890625 171.09669494628906 7.0625 172.017333984375 341.5521545410156 172.0529327392578 179.5625 172.11106872558594 10.0 172.25233459472656 7.0 172.37997436523438 14.25 173.0480194091797 53.775943756103516 173.07435607910156 161.7422637939453 174.03468322753906 70.1716079711914 174.056884765625 354.1488037109375 174.1167755126953 11.11111068725586 175.0848846435547 90.0452880859375 176.02842712402344 207.0 176.070556640625 44236.046875 176.29360961914062 70.375 176.32098388671875 74.79959106445312 176.33740234375 74.2479476928711 176.38345336914062 52.324153900146484 176.3975830078125 46.026161193847656 176.4506378173828 22.55681800842285 176.48947143554688 73.46370697021484 176.52200317382812 38.68144989013672 176.5445098876953 49.97297286987305 176.58602905273438 21.235294342041016 176.67832946777344 15.083333015441895 176.72447204589844 47.040000915527344 176.75238037109375 25.160715103149414 177.0729522705078 1116.00244140625 177.14755249023438 38.84090805053711 177.1633758544922 82.00675964355469 177.25416564941406 33.33928680419922 177.2838134765625 7.083333492279053 177.63967895507812 6.0 180.03782653808594 200.01467895507812 180.065185546875 17.225000381469727 182.022705078125 40.0476188659668 183.90025329589844 17.019229888916016 185.06976318359375 586.2400512695312 185.12191772460938 22.211206436157227 185.13641357421875 12.208333015441895 186.05857849121094 17.0592098236084 189.04025268554688 10.011363983154297 189.0686798095703 5320.43310546875 189.15724182128906 5.5 189.18350219726562 15.266304016113281 189.55145263671875 11.005952835083008 190.02804565429688 63.22368240356445 190.06588745117188 32.66666793823242 190.265869140625 28.28017234802246 190.4993896484375 49.16128921508789 191.34991455078125 28.28017234802246 192.03717041015625 83.50521087646484 192.0793914794922 5.160714149475098 196.86817932128906 43.65406799316406 197.39012145996094 8.041666984558105 199.05442810058594 111.66773223876953 202.03140258789062 1805.2825927734375 202.08631896972656 34.16447448730469 202.2100372314453 10.125 202.37225341796875 5.224999904632568 203.08184814453125 393.0313720703125 210.3953094482422 12.892857551574707 211.12112426757812 152.9535369873047 213.13819885253906 75.1875 214.14015197753906 95.36734771728516 214.91604614257812 37.140625 215.0013885498047 79.54449462890625 216.68637084960938 42.0 217.06344604492188 3178.7333984375 217.12103271484375 51.11556625366211 217.27960205078125 27.034090042114258 217.54214477539062 17.36111068725586 217.65341186523438 23.013158798217773 218.06454467773438 341.1126708984375 219.9860076904297 160.7244873046875 220.04208374023438 529.5557861328125 220.08316040039062 15.360294342041016 221.04693603515625 561.1098022460938 221.1044921875 16.11111068725586 221.75135803222656 47.44047546386719 222.0502471923828 188.45558166503906 222.10916137695312 5.017857074737549 226.02687072753906 37.344512939453125 229.0803985595703 39.38461685180664 239.11666870117188 255.4256134033203 243.08615112304688 71.5562515258789 244.09706115722656 91.98892211914062 255.11460876464844 119.90186309814453 256.073974609375 190.0474853515625 256.134765625 5.0 257.1315002441406 125.76005554199219 262.1101379394531 255.03515625 268.7719421386719 14.008333206176758 271.0564270019531 30.0 271.0850830078125 53.13333511352539 271.4165954589844 17.035715103149414 271.5425720214844 22.375 272.0721740722656 206.88461303710938 279.110595703125 19.5 289.1014709472656 815.2235717773438 290.1029052734375 206.3382110595703 290.16796875 9.008333206176758 300.07196044921875 187.40333557128906 301.0706787109375 63.55410385131836 303.44061279296875 51.88888931274414 307.0847473144531 334.2383728027344 307.1057434082031 239.06881713867188 317.0949401855469 593.171875 317.1675109863281 8.009614944458008 318.0897521972656 30.15705108642578 335.1058654785156 3666.72802734375 335.16583251953125 162.47116088867188 335.22479248046875 16.625 335.29791259765625 22.149999618530273 335.3495788574219 104.2249984741211 335.4759826660156 12.009614944458008 335.52862548828125 8.68055534362793 335.6858825683594 15.0 335.8191833496094 26.405000686645508 335.84625244140625 17.796052932739258 336.1099548339844 325.4285583496094 336.1758117675781 18.016666412353516 336.1939697265625 17.78125 336.3224182128906 17.52083396911621 336.494384765625 23.34722137451172 345.8262634277344 43.40833282470703 419.9591979980469 86.38941955566406 710.9305419921875 49.003047943115234 751.1290283203125 20.015625 776.2020263671875 61.019229888916016 845.1765747070312 31.657608032226562 953.9107055664062 23.04166603088379 965.4663696289062 12.011363983154297 1468.1573486328125 46.675926208496094 1526.8341064453125 40.19047546386719 1537.3133544921875 10.0 1541.1416015625 13.020833015441895 1616.10791015625 12.142857551574707 1721.7646484375 65.13793182373047 1977.865478515625 73.39130401611328 1983.365966796875 19.560184478759766 END IONS BEGIN IONS TITLE=CCMSLIB00005723213 PEPMASS=335.106674 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=40.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_A2_Benzylpenicillin_potassium.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Benzylpenicillin_40eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=[H][C@]12SC(C)([C@H](C(O)=O)N1C([C@H]2NC(Cc3ccccc3)=O)=O)C INCHI=InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1 INCHIAUX=JGSARLDLIJGVTE-MBNYWOFBSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723213 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723213 SCANS=215948 52.049217224121094 10.199999809265137 53.03866958618164 2051.734619140625 53.07081985473633 61.015625 53.11572265625 12.25 53.17808151245117 24.446428298950195 54.03384017944336 607.6719970703125 55.05413055419922 1054.7833251953125 55.08359909057617 22.375 55.34291076660156 20.22282600402832 56.050148010253906 616.2993774414062 56.08501434326172 11.160714149475098 57.0449333190918 369.6584777832031 57.078739166259766 9.083333015441895 58.06508255004883 269.75 58.55665588378906 31.266666412353516 58.99501037597656 821.1253662109375 59.028934478759766 13.68055534362793 59.04943084716797 688.8132934570312 59.121280670166016 24.328947067260742 59.34566879272461 22.69230842590332 61.97993469238281 33.281978607177734 62.00714111328125 503.4802551269531 62.13759994506836 11.800000190734863 63.02328872680664 119.09191131591797 65.03828430175781 1177.489013671875 65.0612564086914 34.57143020629883 66.04178619384766 96.9756088256836 69.0448226928711 4472.27197265625 70.0286865234375 6816.837890625 70.06507110595703 6746.22021484375 70.18000030517578 62.45161437988281 70.20203399658203 26.00657844543457 70.25552368164062 10.920454978942871 70.27021026611328 37.08333206176758 70.33015441894531 16.00657844543457 70.3731460571289 13.556818008422852 70.57556915283203 77.81395721435547 70.99470520019531 235.41868591308594 71.03112030029297 103.28938293457031 71.04940032958984 154.20779418945312 71.07243347167969 403.73406982421875 71.10700225830078 10.024999618530273 72.0396499633789 14.25 74.00603485107422 2161.20068359375 75.00894165039062 54.5 75.02540588378906 226.1089324951172 77.03829956054688 254.0084686279297 79.02865600585938 125.23076629638672 79.05435943603516 1048.82763671875 80.01217651367188 206.96011352539062 80.04790496826172 155.90249633789062 81.04434204101562 1450.7421875 81.05496978759766 595.5078735351562 81.5233383178711 11.556818008422852 82.04660034179688 131.88235473632812 82.06416320800781 250.001953125 83.05945587158203 378.35076904296875 83.35231018066406 18.20833396911621 84.05032348632812 9.074999809265137 84.06210327148438 58.40833282470703 84.0796890258789 244.61627197265625 84.1075210571289 13.375 84.97084045410156 10.027777671813965 85.00957489013672 433.0359191894531 85.04829406738281 124.83600616455078 86.00531768798828 82.81944274902344 86.02222442626953 355.84429931640625 86.05296325683594 20.024999618530273 86.75337982177734 12.142857551574707 86.9902572631836 160.10403442382812 87.02623748779297 16794.205078125 87.06188201904297 270.0408020019531 87.1030502319336 18.33333396911621 87.2139892578125 70.2807388305664 87.24246215820312 11.008333206176758 87.25922393798828 50.983489990234375 87.29922485351562 19.875 87.40498352050781 32.69551467895508 88.03192138671875 269.7600402832031 89.01686096191406 689.8521728515625 89.03831481933594 54.14285659790039 89.3732681274414 41.16008758544922 89.43397521972656 18.5 90.97249603271484 13.006579399108887 91.05409240722656 48288.1796875 91.22183990478516 56.625 91.23468017578125 56.6173095703125 91.25759887695312 14.041666984558105 91.28409576416016 29.00337791442871 91.30475616455078 51.9388313293457 91.31806945800781 85.52355194091797 91.34381866455078 47.00893020629883 91.35720825195312 70.2384033203125 91.38571166992188 30.778846740722656 91.42826843261719 28.77777862548828 91.43861389160156 24.024999618530273 91.46001434326172 41.346153259277344 91.47494506835938 79.35810852050781 91.56719970703125 22.45833396911621 91.59622192382812 10.086538314819336 91.66144561767578 15.041666984558105 91.70259857177734 14.024999618530273 91.74284362792969 12.375 91.79020690917969 103.55612182617188 91.82234954833984 43.46106719970703 92.05692291259766 1541.0626220703125 92.1006851196289 15.68055534362793 92.11873626708984 18.076923370361328 92.83668518066406 26.16554069519043 94.06542205810547 1114.9708251953125 94.10881805419922 41.88109588623047 94.12271881103516 23.011363983154297 95.07347106933594 717.8937377929688 96.06661987304688 139.80621337890625 96.92923736572266 18.604999542236328 97.0107421875 139.94126892089844 97.03924560546875 77.43112182617188 97.18965911865234 28.670454025268555 98.00431060791016 307.47406005859375 98.0237045288086 16192.267578125 98.0595474243164 1330.806640625 98.09898376464844 67.48063659667969 98.11284637451172 14.5 98.195068359375 47.05263137817383 98.20758819580078 51.44565200805664 98.21891784667969 20.005952835083008 98.28775787353516 41.00961685180664 98.37056732177734 32.17307662963867 98.73692321777344 10.027777671813965 99.02666473388672 784.3273315429688 99.04240417480469 773.35595703125 99.07838439941406 15.017857551574707 99.29563903808594 28.349138259887695 99.79855346679688 39.003204345703125 99.98340606689453 33.39112854003906 100.038818359375 266.5266418457031 101.01622009277344 255.22500610351562 101.05525970458984 9.225000381469727 101.30004119873047 16.799999237060547 102.0372543334961 417.4400634765625 103.05343627929688 352.9480285644531 104.05276489257812 186.11363220214844 104.09264373779297 13.0 105.16570281982422 22.230770111083984 105.97135162353516 170.80357360839844 107.17615509033203 32.28928756713867 107.29486846923828 34.79999923706055 111.06085968017578 23.390625 111.09027862548828 157.08743286132812 113.01551055908203 102.5372314453125 113.02772521972656 68.40166473388672 113.68907928466797 31.16554069519043 113.9026870727539 20.66666603088379 114.00080871582031 44.9262809753418 114.03703308105469 90545.984375 114.32339477539062 33.74106979370117 114.3411636352539 94.79255676269531 114.39128875732422 41.125 114.41531372070312 116.0315933227539 114.43478393554688 95.16666412353516 114.47469329833984 57.58333206176758 114.5460205078125 50.90582275390625 114.57710266113281 48.603572845458984 114.59436798095703 31.32661247253418 114.61368560791016 84.28408813476562 114.64144134521484 190.57125854492188 114.69939422607422 24.80500030517578 114.75328063964844 66.38461303710938 114.76927185058594 38.266666412353516 114.78852081298828 106.66666412353516 114.8143081665039 48.061275482177734 114.9106216430664 25.071428298950195 115.02082824707031 803.2647705078125 115.04035949707031 2951.05419921875 115.0870361328125 48.117645263671875 116.05046844482422 337.2803039550781 116.07027435302734 673.137939453125 116.14212799072266 11.0 116.32620239257812 27.77822494506836 117.12091064453125 9.240385055541992 118.00982666015625 178.50697326660156 118.0322265625 12.166666984558105 118.06233978271484 46.24007797241211 120.08023071289062 1011.5333251953125 120.12262725830078 20.471153259277344 122.62570190429688 13.022727012634277 126.0191421508789 459.25128173828125 126.03648376464844 974.72802734375 126.0530014038086 482.4652099609375 127.01932525634766 277.0423583984375 127.04359436035156 311.0177001953125 128.05133056640625 1177.984375 128.1029510498047 14.44444465637207 129.03663635253906 121.0625 129.0545654296875 134.33729553222656 129.43939208984375 19.015625 130.06475830078125 806.0325317382812 130.1277313232422 20.05555534362793 131.06903076171875 89.13623809814453 134.01821899414062 329.90130615234375 134.0546875 18.29166603088379 135.02505493164062 88.21302795410156 135.09158325195312 268.2362060546875 135.58702087402344 34.9262809753418 135.93386840820312 92.20999908447266 136.07443237304688 196.125 136.92320251464844 29.923076629638672 137.0701446533203 478.6352844238281 137.12203979492188 10.083333015441895 140.90745544433594 145.28561401367188 142.0318603515625 4183.56005859375 142.08761596679688 37.44444274902344 142.1873321533203 20.25 142.75103759765625 41.19047546386719 143.06332397460938 1538.6751708984375 143.1080322265625 31.013158798217773 143.2368621826172 39.884803771972656 144.04676818847656 240.51351928710938 146.0600128173828 26.174999237060547 147.02420043945312 267.942138671875 147.06898498535156 10.166666984558105 151.96446228027344 31.01785659790039 154.0306396484375 432.040771484375 156.04779052734375 52.96195602416992 156.06263732910156 40.07267379760742 157.0762939453125 36.96052551269531 157.19691467285156 26.034090042114258 158.0597686767578 80.21920013427734 159.09149169921875 1187.02880859375 159.14028930664062 15.0 159.71725463867188 19.04166603088379 159.762939453125 42.12076187133789 160.0424041748047 17089.498046875 160.09339904785156 318.5294189453125 160.12542724609375 62.6315803527832 160.19338989257812 54.360294342041016 160.25558471679688 32.0 160.32537841796875 9.0625 160.33883666992188 29.575000762939453 160.35784912109375 59.775943756103516 160.5142059326172 27.52155113220215 160.54026794433594 50.84375 160.9237060546875 37.51524353027344 160.94586181640625 55.28125 161.04486083984375 609.2623291015625 161.07122802734375 254.99082946777344 161.10755920410156 16.66666603088379 161.4528045654297 21.30681800842285 163.0179443359375 26.56818199157715 165.9309844970703 16.0 169.0887451171875 89.11538696289062 171.056884765625 195.1986083984375 172.04002380371094 272.41070556640625 172.09596252441406 253.16000366210938 173.05044555664062 390.81732177734375 173.11062622070312 9.5625 175.01443481445312 159.46022033691406 176.03854370117188 259.5354309082031 176.07058715820312 10916.853515625 176.18479919433594 16.173076629638672 176.22201538085938 112.60665130615234 176.25155639648438 17.285715103149414 176.32362365722656 25.94230842590332 176.3646240234375 31.920454025268555 176.54916381835938 55.030487060546875 176.57229614257812 21.008333206176758 176.63217163085938 9.086538314819336 176.95538330078125 11.183823585510254 177.07302856445312 437.2350158691406 177.48236083984375 13.074999809265137 177.55369567871094 42.04999923706055 178.02476501464844 137.24908447265625 178.67323303222656 50.01041793823242 179.28506469726562 27.225000381469727 180.1197509765625 14.083333015441895 185.07162475585938 148.56961059570312 189.0469512939453 221.41441345214844 189.0685272216797 1280.6673583984375 189.12142944335938 24.204545974731445 190.0236053466797 85.13333129882812 191.06163024902344 365.10595703125 192.03915405273438 205.47457885742188 192.06622314453125 217.125 199.12478637695312 110.68022918701172 202.0338134765625 1013.9064331054688 202.07144165039062 133.0011749267578 202.0924835205078 51.5625 202.4866485595703 19.004310607910156 203.03602600097656 200.4515838623047 206.5106201171875 69.44444274902344 211.12130737304688 89.48521423339844 213.11288452148438 51.04166793823242 218.09988403320312 175.06153869628906 234.82891845703125 35.0304069519043 235.40396118164062 21.0 239.89146423339844 30.520160675048828 243.09291076660156 403.3028564453125 243.73486328125 22.183822631835938 245.1079864501953 11.408333778381348 249.9822998046875 117.80000305175781 262.5431823730469 35.17287063598633 272.6698913574219 18.111841201782227 286.0706481933594 89.03048706054688 289.0997314453125 89.875 289.4183044433594 23.55769157409668 306.96099853515625 24.245689392089844 335.22161865234375 40.00961685180664 340.3309326171875 16.899999618530273 353.294189453125 26.454545974731445 366.8732604980469 21.33333396911621 383.9131164550781 49.24007797241211 393.884033203125 101.9206314086914 395.7115783691406 44.03703689575195 453.9737854003906 15.024999618530273 458.208251953125 26.016666412353516 522.5352783203125 50.903690338134766 523.376708984375 22.048913955688477 534.7939453125 32.266666412353516 580.663330078125 21.125 585.5938720703125 18.015625 637.3558349609375 42.75 644.4544677734375 26.60357093811035 658.707275390625 16.204545974731445 661.2943725585938 11.005952835083008 670.5513916015625 10.47115421295166 789.9927978515625 42.852272033691406 811.8154907226562 15.041666984558105 819.7218017578125 58.806251525878906 929.9442749023438 36.92045593261719 1025.95263671875 25.405000686645508 1031.8779296875 16.225000381469727 1062.6533203125 38.40833282470703 1126.1636962890625 17.360294342041016 1126.5404052734375 78.0317153930664 1152.962890625 33.04166793823242 1163.1822509765625 26.125 1166.0855712890625 32.06666564941406 1303.6019287109375 9.199999809265137 1460.780029296875 22.5625 1466.817138671875 23.272727966308594 1523.2135009765625 27.00337791442871 1549.4541015625 49.592594146728516 1565.1031494140625 21.03125 1607.88232421875 12.360294342041016 1659.48828125 13.360294342041016 1688.3994140625 26.053571701049805 1718.66552734375 40.77941131591797 1756.6568603515625 35.92045593261719 1757.2911376953125 34.721153259277344 1786.61474609375 20.28125 1812.133056640625 98.40889739990234 1844.3531494140625 16.40833282470703 1871.905517578125 52.25798034667969 1981.5262451171875 64.04166412353516 END IONS BEGIN IONS TITLE=CCMSLIB00005723214 PEPMASS=335.106674 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=50.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_A2_Benzylpenicillin_potassium.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Benzylpenicillin_50eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=[H][C@]12SC(C)([C@H](C(O)=O)N1C([C@H]2NC(Cc3ccccc3)=O)=O)C INCHI=InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1 INCHIAUX=JGSARLDLIJGVTE-MBNYWOFBSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723214 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723214 SCANS=216280 50.5842399597168 22.022727966308594 51.02369689941406 243.0204620361328 53.038848876953125 13171.107421875 53.10685348510742 34.328948974609375 53.2385368347168 26.54166603088379 53.271278381347656 82.1200942993164 53.43889236450195 71.10658264160156 53.61048126220703 68.39112854003906 53.677764892578125 23.01388931274414 54.03551483154297 1234.766357421875 54.085548400878906 11.01388931274414 54.154747009277344 34.71428680419922 54.27645492553711 56.47058868408203 54.71644973754883 15.125 54.836631774902344 46.564815521240234 55.054473876953125 2642.31396484375 55.08270263671875 47.75 55.10160446166992 14.0054349899292 56.051753997802734 770.6331176757812 56.41621017456055 21.003204345703125 56.88148498535156 36.315216064453125 57.04463195800781 596.2440185546875 57.06663513183594 17.04166603088379 57.08588409423828 45.061275482177734 57.98575210571289 36.889705657958984 58.054786682128906 70.0 58.995140075683594 5875.85986328125 59.023990631103516 100.21542358398438 59.049232482910156 445.2256774902344 59.08184051513672 26.22282600402832 59.10822677612305 27.075000762939453 59.48179244995117 16.78125 59.51447677612305 27.032142639160156 59.64073944091797 13.284090995788574 60.24266052246094 49.73975372314453 60.44686508178711 30.796052932739258 62.00591278076172 1243.112548828125 62.03834915161133 12.102272987365723 63.0218505859375 119.5 64.43353271484375 84.93133544921875 65.0388412475586 5556.34228515625 65.1579818725586 15.005000114440918 65.19160461425781 22.1358699798584 67.04109191894531 84.2784652709961 67.05512237548828 720.4656982421875 67.33885192871094 13.041666984558105 68.0499038696289 225.67567443847656 69.03390502929688 183.72853088378906 69.04457092285156 8090.9443359375 69.07662200927734 106.49342346191406 69.09794616699219 23.012500762939453 69.11382293701172 21.375 69.17008972167969 29.02083396911621 69.18745422363281 14.035714149475098 69.21662139892578 19.00657844543457 69.25984954833984 35.15705108642578 69.97409057617188 215.9654541015625 70.02877807617188 7843.21435546875 70.06527709960938 20016.30859375 70.12381744384766 210.24038696289062 70.19335174560547 16.004629135131836 70.20352935791016 19.25 70.2457275390625 28.028846740722656 70.25154876708984 18.005952835083008 70.30976867675781 23.071428298950195 70.40006256103516 26.15705108642578 70.50756072998047 106.40760803222656 70.5999526977539 11.375 70.62166595458984 18.003787994384766 70.72313690185547 13.449999809265137 70.82251739501953 50.9388313293457 70.99575805664062 141.0194091796875 71.04946899414062 1625.454833984375 71.0694351196289 526.0869750976562 71.98893737792969 273.133056640625 72.08121490478516 1054.182373046875 72.99876403808594 383.7516784667969 73.02788543701172 197.1224822998047 74.00565338134766 2458.080322265625 74.0401611328125 37.2717399597168 74.13994598388672 17.52083396911621 75.01333618164062 226.64462280273438 75.02584838867188 1317.1265869140625 75.05567169189453 264.9032287597656 75.09078216552734 17.007352828979492 75.31512451171875 24.75 75.40103149414062 24.60357093811035 76.02057647705078 263.0016784667969 77.03700256347656 528.595703125 77.0721206665039 11.03125 77.34010314941406 29.3689022064209 78.69268798828125 24.07621955871582 79.02853393554688 147.72000122070312 79.05474090576172 1424.3507080078125 79.09435272216797 24.59558868408203 80.04891204833984 360.05914306640625 80.3833999633789 20.48214340209961 81.04407501220703 3046.62841796875 81.05608367919922 1779.007568359375 81.09229278564453 37.16447448730469 81.33660125732422 23.91847801208496 82.02871704101562 506.59869384765625 82.05084991455078 432.5782775878906 82.06542205810547 1821.734375 82.09882354736328 40.0065803527832 82.28385925292969 17.08333396911621 82.29390716552734 16.03125 83.0494613647461 539.0919189453125 83.0605239868164 2168.228515625 83.10377502441406 17.450000762939453 83.27758026123047 93.84500122070312 83.38777923583984 16.899999618530273 84.07986450195312 198.61990356445312 84.97403717041016 28.58333396911621 85.01050567626953 2694.78271484375 85.03797149658203 252.73635864257812 85.55118560791016 21.019229888916016 85.75090789794922 59.3125 86.01016998291016 272.86578369140625 86.64669036865234 13.322368621826172 87.02637481689453 53789.625 87.20014953613281 47.149391174316406 87.2197494506836 105.02222442626953 87.25872039794922 50.0113639831543 87.29331970214844 66.01190185546875 87.30754852294922 72.3310775756836 87.33987426757812 48.24007797241211 87.34952545166016 36.003570556640625 87.38522338867188 11.059210777282715 87.41444396972656 26.030405044555664 87.44310760498047 47.842105865478516 87.47606658935547 19.164474487304688 87.51189422607422 18.604999542236328 87.52816009521484 30.842105865478516 87.54110717773438 39.07621765136719 87.55410766601562 34.0229606628418 87.6321029663086 13.03125 87.68738555908203 34.328948974609375 87.71013641357422 50.030303955078125 87.72314453125 23.045000076293945 87.76908111572266 15.796052932739258 88.02806854248047 979.66162109375 88.06986236572266 11.920454978942871 88.42705535888672 29.080127716064453 89.01689147949219 617.25634765625 89.03763580322266 148.80166625976562 90.045166015625 126.82661437988281 90.5297622680664 29.25 91.03986358642578 397.9285583496094 91.05418395996094 96063.2890625 91.35657501220703 96.79290771484375 91.39305877685547 72.0173110961914 91.43795013427734 105.88941955566406 91.45653533935547 58.043479919433594 91.51639556884766 17.035715103149414 91.53793334960938 81.2631607055664 91.54700469970703 51.45833206176758 91.57669830322266 68.47206115722656 91.60214233398438 46.94117736816406 91.62213134765625 44.07621765136719 91.71590423583984 34.08035659790039 91.80958557128906 69.68902587890625 91.82666015625 34.22282791137695 92.05731964111328 4482.537109375 92.09902954101562 55.003787994384766 92.1574478149414 16.285715103149414 92.30879974365234 32.032142639160156 92.50908660888672 12.164473533630371 92.55916595458984 15.25 92.92369079589844 11.006579399108887 94.06522369384766 1277.7657470703125 94.10569763183594 17.225000381469727 94.39899444580078 35.625 94.49347686767578 25.102272033691406 94.73085021972656 17.36111068725586 95.07280731201172 638.7075805664062 95.21733093261719 32.344512939453125 97.00969696044922 427.5928955078125 97.03915405273438 112.31121063232422 97.66973876953125 24.671297073364258 98.00581359863281 448.1191101074219 98.02338409423828 12220.302734375 98.05947875976562 2766.29833984375 98.10336303710938 30.674999237060547 98.19490814208984 65.1689224243164 98.21204376220703 32.92045593261719 98.24301147460938 26.00337791442871 98.3698501586914 24.532894134521484 98.62421417236328 24.480262756347656 99.00848388671875 270.7930908203125 99.02632141113281 858.1494140625 99.04385375976562 1327.812255859375 99.99576568603516 13.100000381469727 100.0475845336914 252.96681213378906 100.0733413696289 130.13307189941406 101.01603698730469 453.1977844238281 101.04011535644531 97.08000183105469 101.058837890625 218.41421508789062 101.36856079101562 23.08333396911621 102.91390228271484 113.67924499511719 103.0543441772461 1809.6883544921875 103.09196472167969 33.94230651855469 104.0614242553711 229.02499389648438 104.08971405029297 11.160714149475098 105.05561065673828 115.07836151123047 105.06719207763672 105.91755676269531 105.910888671875 15.059210777282715 107.02266693115234 232.1212158203125 107.05309295654297 13.666666984558105 109.07588958740234 207.91757202148438 110.06002044677734 201.53125 110.62212371826172 63.10256576538086 111.02571105957031 246.53076171875 111.05390930175781 16.321428298950195 111.98471069335938 257.18182373046875 112.02108001708984 100.44999694824219 112.35271453857422 19.034090042114258 112.46717071533203 80.33333587646484 113.02904510498047 1440.8480224609375 113.06861877441406 23.321428298950195 113.08636474609375 20.100807189941406 113.99176025390625 203.875 114.03705596923828 111033.5625 114.3750991821289 54.5625 114.39490509033203 67.88970947265625 114.42500305175781 65.08654022216797 114.43641662597656 25.543588638305664 114.4532241821289 50.16128921508789 114.48632049560547 21.568878173828125 114.51985931396484 29.640151977539062 114.57198333740234 18.0 114.60638427734375 22.0 114.63514709472656 29.0 114.68716430664062 25.446428298950195 114.70882415771484 18.111841201782227 114.7816390991211 50.40999984741211 114.85499572753906 46.0476188659668 115.01949310302734 233.05215454101562 115.03955078125 3433.5185546875 115.09317016601562 29.01388931274414 115.10783386230469 23.003047943115234 115.23103332519531 14.69444465637207 115.31898498535156 35.57065200805664 115.45085906982422 12.041666984558105 115.60704040527344 14.284090995788574 115.73458099365234 11.0 115.80998992919922 11.77884578704834 115.93923950195312 34.66666793823242 116.05110931396484 406.86199951171875 116.21253967285156 52.786766052246094 117.05683898925781 222.78048706054688 117.10572814941406 11.0 120.04341888427734 145.54017639160156 120.08008575439453 992.1170043945312 120.12379455566406 31.1875 120.14279174804688 28.094696044921875 122.02980041503906 189.68099975585938 122.0817642211914 17.65441131591797 122.23763275146484 11.005952835083008 124.17733764648438 15.125 125.00445556640625 86.43214416503906 126.03746795654297 1908.2589111328125 126.06939697265625 53.03571319580078 127.03121185302734 191.10240173339844 127.04367065429688 182.4273223876953 128.05291748046875 2273.0234375 128.09494018554688 50.769229888916016 130.06483459472656 1930.039794921875 130.11651611328125 41.26630401611328 131.01487731933594 233.68362426757812 131.06576538085938 220.14706420898438 134.01817321777344 594.6817626953125 137.06982421875 265.5 137.1114501953125 11.240385055541992 138.07940673828125 169.48780822753906 140.05003356933594 169.1653289794922 142.03192138671875 4104.951171875 142.07803344726562 65.25961303710938 142.10865783691406 23.003047943115234 142.2949981689453 12.005952835083008 143.063232421875 747.250732421875 143.0841827392578 138.48455810546875 143.13296508789062 15.017857551574707 143.68197631835938 72.68170166015625 144.4359588623047 18.81818199157715 145.0772247314453 261.44329833984375 145.1298370361328 12.086538314819336 147.01913452148438 50.474056243896484 151.95162963867188 34.3125 152.74468994140625 21.52083396911621 153.04904174804688 125.47115325927734 154.0304718017578 65.14881134033203 154.8150634765625 19.69230842590332 155.05413818359375 255.24244689941406 155.0886688232422 19.113636016845703 155.19192504882812 23.197580337524414 156.0683135986328 467.1634521484375 157.0755615234375 74.75513458251953 157.5939483642578 24.230770111083984 159.09109497070312 539.1636352539062 160.04273986816406 3356.264404296875 160.0742950439453 287.6666564941406 160.0951385498047 412.88165283203125 160.1494140625 14.005952835083008 160.25929260253906 40.10745620727539 160.28126525878906 40.25635528564453 160.43722534179688 53.3967399597168 161.5020294189453 26.66666603088379 165.0472412109375 140.7346954345703 165.07164001464844 96.52173614501953 169.07374572753906 52.58726501464844 170.08338928222656 133.03125 171.08995056152344 197.14559936523438 173.049072265625 245.8524627685547 174.03709411621094 219.9654541015625 175.01255798339844 93.84091186523438 176.05218505859375 257.2716369628906 176.07041931152344 3081.155029296875 176.12493896484375 29.11111068725586 176.1525421142578 44.06377410888672 177.07553100585938 68.0020523071289 177.2049102783203 16.045000076293945 183.7866973876953 25.399999618530273 189.0450897216797 153.02960205078125 189.0695343017578 419.50164794921875 189.12142944335938 17.1875 190.0545654296875 166.59609985351562 191.06398010253906 170.28408813476562 191.25244140625 24.014705657958984 195.12327575683594 32.04941940307617 202.03005981445312 93.66273498535156 209.1070556640625 74.84005737304688 227.56971740722656 34.905487060546875 229.58535766601562 121.03951263427734 259.77099609375 18.375 267.439697265625 15.125 285.7770690917969 14.375 285.93646240234375 28.140625 294.388671875 15.5328950881958 314.7713623046875 33.75 322.0157470703125 36.63999938964844 326.4731750488281 64.61228942871094 338.304931640625 18.40833282470703 357.64154052734375 56.290252685546875 376.0589294433594 18.34722137451172 393.1394958496094 47.967105865478516 422.7597961425781 35.224998474121094 433.06744384765625 32.0 476.9871826171875 106.1451644897461 483.34814453125 21.600000381469727 508.464111328125 29.13306427001953 565.361083984375 50.975807189941406 579.4255981445312 23.04166603088379 609.88232421875 18.20833396911621 611.9074096679688 21.875 617.9088745117188 18.0 620.8644409179688 42.206634521484375 626.8146362304688 50.6173095703125 711.476806640625 14.0 711.9122314453125 31.032142639160156 717.100830078125 11.059210777282715 726.7012329101562 20.01388931274414 728.0121459960938 22.1488094329834 748.7239379882812 39.73611068725586 754.062255859375 33.135868072509766 755.6039428710938 11.5 813.2024536132812 18.076923370361328 815.9264526367188 14.571428298950195 834.2606811523438 23.210525512695312 837.4326171875 38.306819915771484 853.9602661132812 82.52631378173828 865.59033203125 48.22222137451172 878.7382202148438 11.006579399108887 882.2520751953125 37.28928756713867 883.7403564453125 23.80500030517578 909.7015380859375 20.164474487304688 911.0458374023438 71.69230651855469 921.0582885742188 25.560184478759766 931.7447509765625 18.91847801208496 932.0196533203125 14.204545021057129 944.923095703125 34.09375 961.26220703125 25.337963104248047 972.858154296875 29.55681800842285 975.505859375 18.125 1005.2052001953125 25.556034088134766 1011.103515625 122.63516235351562 1020.1878051757812 31.15705108642578 1130.6802978515625 32.69230651855469 1190.35302734375 22.01785659790039 1247.43798828125 28.032142639160156 1257.260498046875 25.204999923706055 1263.5064697265625 20.005952835083008 1280.212158203125 19.266666412353516 1286.3587646484375 15.796052932739258 1300.491455078125 120.44117736816406 1309.0347900390625 69.22321319580078 1324.421142578125 26.88888931274414 1346.8704833984375 12.053571701049805 1371.3726806640625 12.022727012634277 1438.3968505859375 12.408333778381348 1440.808349609375 27.028846740722656 1480.5684814453125 28.210525512695312 1504.7840576171875 27.130319595336914 1535.5712890625 23.2450008392334 1536.5927734375 18.91847801208496 1545.51904296875 18.049999237060547 1581.245361328125 15.035714149475098 1633.1832275390625 14.5328950881958 1659.6751708984375 126.2290267944336 1661.8387451171875 23.48214340209961 1717.2012939453125 40.38461685180664 1762.448486328125 69.00244903564453 1844.6864013671875 18.56818199157715 1844.9703369140625 25.032142639160156 1875.23779296875 58.84027862548828 1917.5792236328125 119.0625 1920.1102294921875 18.25 1970.51953125 48.224998474121094 END IONS BEGIN IONS TITLE=CCMSLIB00005723218 PEPMASS=646.2567 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=20.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_A4_Acarbose.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Acarbose_20eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O INCHI=InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25-/m1/s1 INCHIAUX=XUFXOAAUWZOOIT-UGEKTDRHSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723218 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723218 SCANS=24819 52.43092727661133 234.03921508789062 53.03972625732422 261.68182373046875 56.049495697021484 971.9071044921875 57.03339385986328 783.1192016601562 57.05747604370117 385.4792785644531 57.07028579711914 213.04283142089844 58.06521987915039 2288.393798828125 60.0443000793457 297.57342529296875 61.02781295776367 260.23760986328125 65.03841400146484 960.5066528320312 67.05445861816406 4206.64453125 69.03433990478516 271.16070556640625 70.02871704101562 547.6666870117188 70.0653305053711 1515.21337890625 71.0487289428711 204.1358642578125 72.04530334472656 2861.148193359375 72.08220672607422 358.8125 74.0600357055664 12271.099609375 77.03910827636719 504.9320068359375 79.05516815185547 331.6653137207031 81.0334243774414 10261.671875 82.06514739990234 2595.34716796875 83.0494384765625 1774.8861083984375 84.04439544677734 8923.2333984375 85.02832794189453 1211.07958984375 85.04550170898438 355.4347839355469 86.06011199951172 2852.5888671875 88.03890991210938 278.91162109375 88.07611083984375 972.55224609375 91.03839874267578 231.74012756347656 93.03462219238281 300.41522216796875 95.04902648925781 10796.7822265625 96.0534896850586 420.6000061035156 97.02645874023438 323.258056640625 98.05986785888672 866.8280639648438 99.04339599609375 447.0465393066406 100.07560729980469 4035.383056640625 101.07781219482422 196.01785278320312 102.05457305908203 854.94482421875 104.0705337524414 642.8760375976562 106.03240966796875 245.4800262451172 109.05197143554688 244.69444274902344 110.05980682373047 5097.7509765625 111.04417419433594 10634.7041015625 112.0746841430664 548.7673950195312 113.05781555175781 376.8461608886719 115.03755187988281 204.6568145751953 116.0702133178711 874.061279296875 119.02632141113281 244.49705505371094 120.04421997070312 330.07464599609375 122.05999755859375 510.4143981933594 123.04362487792969 12086.46484375 127.03736877441406 462.3114318847656 128.07034301757812 25502.26171875 128.11436462402344 373.79998779296875 129.05410766601562 704.8875732421875 129.07301330566406 1069.9473876953125 132.08319091796875 274.3105773925781 137.05908203125 285.02874755859375 139.03855895996094 609.9204711914062 140.06961059570312 400.5544738769531 141.0542755126953 1864.1187744140625 142.05657958984375 360.297607421875 144.0641326904297 369.7739562988281 145.048828125 344.60357666015625 146.0811309814453 343602.15625 147.08477783203125 9286.3173828125 148.07818603515625 464.47760009765625 148.09548950195312 657.5803833007812 152.10659790039062 363.645751953125 156.06448364257812 714.52001953125 158.08023071289062 297.8923645019531 160.07516479492188 489.1643981933594 162.09022521972656 858.7780151367188 163.0612030029297 306.70513916015625 164.06983947753906 241.46893310546875 164.08985900878906 224.5255584716797 167.06771850585938 218.0416717529297 174.0747528076172 631.5113525390625 174.08969116210938 338.0025634765625 176.09140014648438 858.4435424804688 178.0857696533203 562.0567626953125 188.06922912597656 213.68807983398438 196.09703063964844 352.0040283203125 198.10958862304688 357.44512939453125 202.0860595703125 283.0010070800781 202.1064910888672 835.2578125 216.12074279785156 480.5672302246094 220.0959014892578 503.28179931640625 222.1129608154297 690.0023803710938 226.10696411132812 321.79290771484375 232.09616088867188 451.2400817871094 232.11846923828125 578.0234985351562 238.1079559326172 725.5259399414062 240.12252807617188 950.7665405273438 242.1016082763672 629.6528930664062 250.10621643066406 1235.75927734375 251.109130859375 232.5565185546875 256.118896484375 276.1910400390625 262.12994384765625 390.6867370605469 268.11749267578125 5063.13330078125 269.1219177246094 803.6063232421875 286.12847900390625 33212.1171875 287.13232421875 2236.090576171875 303.85040283203125 213.6875 304.0325622558594 258.0 304.13946533203125 1915871.5 304.6534729003906 529.686279296875 304.708740234375 309.1725769042969 304.776611328125 453.5205993652344 304.8468933105469 331.525634765625 304.8628234863281 226.09628295898438 304.9266357421875 209.5735321044922 304.99200439453125 377.91552734375 305.0191650390625 269.02655029296875 305.1426696777344 101905.3203125 305.64544677734375 350.5803527832031 308.1336364746094 9310.560546875 309.1351013183594 554.1158447265625 322.1486511230469 468.34735107421875 326.1445007324219 518.8790283203125 424.17779541015625 239.01785278320312 448.1809997558594 382.12603759765625 452.1785888671875 251.15945434570312 466.19195556640625 38572.609375 467.19610595703125 3496.412109375 470.1865234375 1405.234130859375 484.2021179199219 545.7659301757812 485.1993713378906 251.5823211669922 488.1972961425781 6821.80419921875 489.1997375488281 715.2666625976562 610.232666015625 331.82757568359375 628.2440795898438 8449.88671875 629.2486572265625 723.4385986328125 646.1130981445312 755.6458129882812 646.2554931640625 714251.75 647.0247192382812 361.7916564941406 647.0850830078125 479.6829528808594 647.2584838867188 81796.2890625 647.9028930664062 283.2593994140625 648.5560302734375 200.647705078125 649.9609375 275.000732421875 1591.814208984375 218.0 1614.3157958984375 276.8815002441406 END IONS BEGIN IONS TITLE=CCMSLIB00005723219 PEPMASS=646.2567 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=40.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_A4_Acarbose.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Acarbose_40eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O INCHI=InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25-/m1/s1 INCHIAUX=XUFXOAAUWZOOIT-UGEKTDRHSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723219 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723219 SCANS=25151 51.02367401123047 394.34722900390625 53.0391960144043 729.0535278320312 54.0327033996582 220.0522918701172 55.01813888549805 1705.808837890625 55.0543327331543 1702.574462890625 56.04983901977539 10234.1640625 56.07941436767578 157.08877563476562 57.03384780883789 2505.55078125 57.056983947753906 1327.240234375 57.069942474365234 1509.30419921875 58.02969741821289 755.3931884765625 58.06538391113281 22551.8046875 58.0964469909668 461.640625 59.048831939697266 483.25860595703125 59.06964111328125 647.6181030273438 60.04435348510742 2224.529052734375 61.02861022949219 2145.59716796875 65.03857421875 3030.779541015625 66.0423812866211 215.5318603515625 67.04169464111328 637.8828735351562 67.0542221069336 30390.7109375 67.08631896972656 444.35809326171875 68.05016326904297 3011.43798828125 69.03347778320312 4537.7421875 69.06999206542969 469.42633056640625 70.02852630615234 2259.504638671875 70.06537628173828 10114.6845703125 70.09754180908203 184.8898162841797 71.01274108886719 9032.2900390625 71.04901123046875 3097.590576171875 72.0152359008789 414.3879699707031 72.04458618164062 24105.669921875 72.08120727539062 4550.2724609375 72.26520538330078 96.10025024414062 73.02851104736328 2372.57666015625 73.0452880859375 363.0661315917969 73.08419799804688 396.37762451171875 74.06033325195312 83957.7265625 74.32556915283203 217.36099243164062 74.37462615966797 109.77777862548828 75.06179809570312 657.285400390625 76.03878784179688 184.14938354492188 77.0387954711914 4025.505126953125 79.05455780029297 3443.784912109375 80.05011749267578 788.9169311523438 81.03366088867188 76204.71875 81.2998275756836 106.16666412353516 81.54368591308594 127.96378326416016 82.00647735595703 285.7520751953125 82.0374755859375 1659.0423583984375 82.06510162353516 14972.087890625 82.09986877441406 249.6864471435547 82.35021209716797 126.07205963134766 83.04923248291016 19434.494140625 83.32189178466797 112.67537689208984 84.04452514648438 57424.67578125 85.02830505371094 9939.5419921875 85.04621887207031 1724.6309814453125 85.06488800048828 5270.2529296875 86.0228271484375 305.5867919921875 86.0602798461914 23695.0546875 86.10375213623047 286.619384765625 87.00788879394531 493.6875 87.04509735107422 629.0346069335938 87.06763458251953 1490.4989013671875 88.03921508789062 3229.509033203125 88.07559967041016 14419.017578125 88.1169204711914 191.03225708007812 89.0233383178711 943.1650390625 89.05911254882812 603.21923828125 89.0781021118164 481.37890625 90.0550308227539 508.3171691894531 91.03681945800781 106.62057495117188 91.05388641357422 672.5263671875 92.04960632324219 741.59130859375 93.03311157226562 6675.44287109375 94.03628540039062 443.0591735839844 94.06442260742188 1149.4501953125 95.04915618896484 96102.6015625 95.39891815185547 141.37930297851562 95.5359115600586 105.04891204833984 95.56291198730469 96.34782409667969 96.05221557617188 2617.9892578125 96.0798568725586 402.0003662109375 96.41072082519531 98.13876342773438 97.0282974243164 2286.665771484375 97.06517028808594 640.7409057617188 97.08125305175781 239.93846130371094 98.03459167480469 264.4598388671875 98.05976104736328 6915.70263671875 98.58938598632812 110.34626770019531 99.0445327758789 1246.80859375 100.03849029541016 295.99310302734375 100.075439453125 33533.5546875 100.11640167236328 499.0828552246094 101.05885314941406 739.5363159179688 101.07831573486328 1002.33349609375 102.05461120605469 6125.44580078125 103.05692291259766 119.30242156982422 104.04725646972656 108.43840789794922 104.07054138183594 2815.8046875 105.03321838378906 461.222412109375 106.06497192382812 264.03125 107.04883575439453 841.9857177734375 108.04485321044922 1133.149169921875 108.0806884765625 482.0147705078125 109.0283203125 422.1761169433594 109.05226135253906 124.97740936279297 109.06458282470703 404.4463195800781 110.05968475341797 37716.484375 110.54674530029297 183.75283813476562 111.04403686523438 85793.46875 111.39488220214844 210.6999969482422 112.04815673828125 2308.835693359375 112.07536315917969 1518.208740234375 113.05917358398438 4591.66015625 114.05560302734375 346.3337097167969 115.03789520263672 102.36170196533203 115.05278015136719 257.28082275390625 116.07073974609375 5913.6435546875 117.0711441040039 341.3316345214844 118.06422424316406 121.80978393554688 118.0849838256836 576.517578125 119.0478286743164 269.69390869140625 119.08364868164062 107.30242156982422 120.04290771484375 260.9605407714844 120.07892608642578 246.47845458984375 121.06617736816406 482.3008117675781 122.05947875976562 2270.51171875 122.09483337402344 483.290283203125 123.04381561279297 57045.96484375 124.04681396484375 2332.798583984375 124.07572937011719 893.5986328125 125.0589828491211 1252.400146484375 126.05516815185547 1411.2098388671875 126.08927154541016 284.25311279296875 127.03889465332031 595.2222290039062 127.06295776367188 898.3961791992188 127.9341049194336 136.8516387939453 128.04832458496094 283.3866882324219 128.07066345214844 154910.25 128.4168243408203 113.20166778564453 128.61802673339844 114.37735748291016 128.72987365722656 101.00978088378906 128.93411254882812 105.09830474853516 129.05447387695312 10287.423828125 129.0725860595703 5844.56494140625 129.1298370361328 125.04009246826172 129.6765594482422 105.0199966430664 130.05958557128906 548.3115234375 130.086181640625 1245.971923828125 130.5125274658203 99.03030395507812 131.03208923339844 270.6885986328125 131.0685272216797 109.0 132.08029174804688 947.8428955078125 133.08157348632812 116.8431396484375 134.0596923828125 809.549560546875 134.0960693359375 2653.382568359375 135.04347229003906 155.28665161132812 135.07949829101562 493.5392150878906 136.07803344726562 425.15521240234375 137.06028747558594 951.88134765625 137.08319091796875 619.4566040039062 138.0548553466797 643.1762084960938 138.09121704101562 539.9668579101562 139.03916931152344 2099.962890625 139.06088256835938 761.1142578125 140.04124450683594 274.1374206542969 140.07020568847656 2353.74072265625 141.05418395996094 7010.2724609375 142.05653381347656 363.7096862792969 142.085693359375 788.080322265625 143.09014892578125 383.6561279296875 144.06593322753906 1667.707275390625 144.1011199951172 275.6068115234375 145.0484619140625 712.50244140625 145.0619354248047 322.2250061035156 145.9649658203125 144.04054260253906 145.9923095703125 273.7358093261719 146.0343017578125 128.61814880371094 146.08102416992188 944951.9375 146.46343994140625 191.31048583984375 146.52268981933594 202.6349639892578 146.56349182128906 221.78826904296875 146.6031494140625 174.875 146.6357879638672 109.75885009765625 146.6641845703125 124.22624969482422 146.69741821289062 136.13824462890625 146.8349151611328 97.59828186035156 146.8656005859375 145.9270782470703 146.91024780273438 148.4859161376953 146.93032836914062 156.390625 146.99742126464844 176.22161865234375 147.04307556152344 307.30584716796875 147.0843505859375 22746.513671875 147.1959228515625 105.96672821044922 148.0751953125 2662.83837890625 148.0971221923828 2226.059814453125 149.0614471435547 378.6186828613281 149.0829620361328 205.8478240966797 150.0547637939453 483.212890625 150.0915985107422 1241.0294189453125 151.0406036376953 130.69000244140625 151.06004333496094 257.3653564453125 151.0745086669922 310.1824951171875 151.0911407470703 219.6052703857422 152.06988525390625 870.595947265625 154.08636474609375 715.1265869140625 155.09405517578125 1078.091552734375 156.06436157226562 1123.3697509765625 157.06692504882812 143.81686401367188 157.73350524902344 97.43802642822266 158.08074951171875 2945.3876953125 159.0840606689453 291.8500061035156 160.06112670898438 240.6870880126953 160.07479858398438 958.8935546875 161.06118774414062 318.5955810546875 161.0816192626953 492.910888671875 162.0364990234375 143.26885986328125 162.05270385742188 263.0249938964844 162.09144592285156 6449.62548828125 163.07765197753906 643.4265747070312 163.09255981445312 468.7461242675781 164.03257751464844 241.3418731689453 164.07000732421875 1397.3671875 164.10397338867188 275.25311279296875 165.05368041992188 324.16326904296875 166.08563232421875 889.6021118164062 166.12091064453125 204.37930297851562 167.0693817138672 2125.833984375 168.0678253173828 477.6620788574219 168.10137939453125 1172.080322265625 169.11004638671875 342.4079895019531 170.05572509765625 146.72268676757812 170.0808563232422 807.3472290039062 171.0882110595703 1709.0001220703125 172.07589721679688 185.7349395751953 172.09478759765625 270.96124267578125 173.04258728027344 98.906494140625 174.07662963867188 1251.2213134765625 174.08990478515625 886.235107421875 175.07350158691406 199.73611450195312 176.0699920654297 896.766845703125 176.1066436767578 1274.8707275390625 178.08590698242188 3416.307373046875 179.09230041503906 608.7280883789062 180.0644073486328 102.97931671142578 180.10116577148438 1823.3609619140625 181.10426330566406 297.1385498046875 182.0794677734375 138.35755920410156 184.0568084716797 149.28408813476562 184.09552001953125 333.8823547363281 186.07586669921875 713.64501953125 186.090576171875 705.8895263671875 188.07000732421875 1235.740966796875 188.08935546875 581.8712768554688 189.05516052246094 112.0625 189.07308959960938 212.01388549804688 190.08572387695312 2242.1748046875 192.10118103027344 510.234619140625 193.0840606689453 263.4949645996094 193.10414123535156 265.4613342285156 194.0808563232422 328.7055969238281 194.12045288085938 160.02272033691406 196.0970458984375 915.0947875976562 197.1046142578125 920.3955688476562 198.07582092285156 178.86578369140625 198.11155700683594 2490.62646484375 202.10679626464844 2071.362548828125 203.09176635742188 179.86813354492188 204.10243225097656 1852.548095703125 206.08084106445312 1794.6416015625 207.085693359375 276.6499938964844 208.09689331054688 2959.680908203125 209.10397338867188 443.0938415527344 210.1114044189453 268.2810974121094 211.12132263183594 238.11117553710938 212.09063720703125 131.29855346679688 212.12660217285156 256.40802001953125 214.08578491210938 1399.7235107421875 214.1058807373047 1085.643798828125 215.0713348388672 373.9031982421875 215.11489868164062 1652.449951171875 216.087890625 337.2471008300781 216.1190643310547 324.8666687011719 217.0706787109375 188.4515838623047 219.0647735595703 255.3225555419922 220.0958251953125 2946.785888671875 221.10560607910156 430.4090576171875 222.11203002929688 6331.62744140625 223.11537170410156 736.3804931640625 224.09136962890625 1100.146728515625 226.10621643066406 2475.502197265625 227.1134033203125 613.1344604492188 230.13282775878906 96.00154113769531 232.0972442626953 2417.593994140625 232.11643981933594 2350.798583984375 233.0991668701172 199.73663330078125 237.0752716064453 110.973876953125 238.10748291015625 2561.375 240.123291015625 4701.43505859375 241.1251678466797 405.0083312988281 242.10256958007812 1291.6029052734375 244.11468505859375 454.41705322265625 245.05882263183594 173.63059997558594 246.0937957763672 164.63059997558594 250.10670471191406 11196.5908203125 250.177978515625 109.88679504394531 251.11009216308594 476.9729919433594 255.08636474609375 270.3324279785156 256.1180725097656 476.6470642089844 258.13043212890625 431.18426513671875 260.10882568359375 248.92018127441406 261.1225280761719 111.67924499511719 262.12896728515625 463.45330810546875 267.0833740234375 238.65316772460938 268.11767578125 27432.376953125 269.1209716796875 1954.9573974609375 271.1080322265625 131.001708984375 272.11370849609375 271.8701171875 286.12841796875 53204.0546875 286.52996826171875 108.00384521484375 286.5693664550781 143.22877502441406 287.1315002441406 4468.8310546875 290.1239318847656 1184.97998046875 302.11724853515625 114.1891860961914 303.5115966796875 118.90674591064453 304.1391296386719 337904.125 304.7030334472656 121.56547546386719 304.72802734375 142.0404815673828 304.84063720703125 140.26785278320312 304.9574279785156 349.0006408691406 305.1420593261719 15549.853515625 305.99151611328125 126.78571319580078 306.1179504394531 160.3980255126953 308.1328125 1250.9930419921875 384.16436767578125 99.24281311035156 390.1310119628906 250.51654052734375 394.151611328125 109.32653045654297 448.1800231933594 112.15846252441406 466.1910095214844 799.991943359375 470.1889953613281 262.5625 488.1923522949219 116.1738510131836 494.1612243652344 154.58680725097656 628.2428588867188 138.9375 646.2501831054688 355.9762268066406 875.7466430664062 107.14041137695312 1313.32421875 126.02381134033203 1701.3553466796875 266.875 1711.0587158203125 117.70270538330078 1777.801025390625 119.4400405883789 END IONS BEGIN IONS TITLE=CCMSLIB00005723220 PEPMASS=646.2567 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=50.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_A4_Acarbose.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Acarbose_50eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O INCHI=InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25-/m1/s1 INCHIAUX=XUFXOAAUWZOOIT-UGEKTDRHSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723220 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723220 SCANS=25483 50.231746673583984 65.10526275634766 51.02342987060547 339.2414245605469 53.039058685302734 657.3637084960938 55.018123626708984 4474.083984375 55.054500579833984 4015.619873046875 55.08194351196289 92.02564239501953 56.02315139770508 261.8371276855469 56.03972244262695 274.9200439453125 56.049991607666016 18695.931640625 56.07865524291992 400.0014343261719 57.03398895263672 4506.79833984375 57.057403564453125 3224.22998046875 57.069679260253906 2436.1689453125 58.029029846191406 1622.3756103515625 58.06548309326172 31440.77734375 58.20178985595703 91.71939086914062 58.2963981628418 49.15705108642578 58.3257942199707 92.20509338378906 58.37088394165039 49.20000076293945 59.05049133300781 805.948974609375 59.06830978393555 273.03167724609375 60.04424285888672 4116.8681640625 60.07575225830078 57.85969543457031 61.028419494628906 1772.379638671875 65.03885650634766 4893.33251953125 65.07185363769531 71.42857360839844 65.11323547363281 56.183441162109375 65.63813018798828 138.0489959716797 67.04154205322266 768.259765625 67.05430603027344 56995.9921875 67.23250579833984 66.88970947265625 67.32374572753906 63.5 67.50051879882812 57.796051025390625 68.05012512207031 4123.1728515625 68.05696868896484 3343.67626953125 69.03338623046875 6185.7666015625 69.06975555419922 501.5578918457031 69.25682067871094 61.001922607421875 70.0286865234375 4012.18994140625 70.06526947021484 10728.08984375 70.0985336303711 195.0041046142578 71.01265716552734 10993.1396484375 71.04938507080078 9619.6318359375 71.1033706665039 55.778846740722656 71.14596557617188 50.59438705444336 71.5941162109375 68.64006042480469 72.04470825195312 21082.564453125 72.08074951171875 6181.94580078125 72.11267852783203 115.0173110961914 72.2446517944336 58.105262756347656 72.41317749023438 50.16008758544922 72.6514663696289 70.11250305175781 73.02861022949219 5386.89013671875 73.0838623046875 539.0393676757812 74.06037902832031 106817.4609375 74.31761932373047 67.36890411376953 74.43817901611328 127.08654022216797 74.46328735351562 110.0440673828125 75.0638427734375 2238.43115234375 75.0883560180664 73.07499694824219 75.10954284667969 64.9601058959961 76.03865051269531 396.4784851074219 76.948974609375 115.8525619506836 77.03855895996094 9572.287109375 77.0787124633789 128.9470672607422 77.48411560058594 74.0562515258789 78.8329849243164 100.52173614501953 79.05424499511719 2802.160888671875 79.09552764892578 183.84228515625 79.65440368652344 55.444671630859375 80.04939270019531 843.1808471679688 81.03363800048828 80288.390625 81.28157806396484 66.35601043701172 81.3558349609375 61.931339263916016 81.44573974609375 87.0888900756836 81.95752716064453 108.84100341796875 81.9749984741211 53.67045593261719 82.03630065917969 1843.5428466796875 82.06505584716797 25526.9375 82.12682342529297 201.9202117919922 82.15538787841797 50.0914192199707 82.21842956542969 61.3497200012207 82.29415893554688 76.5436782836914 82.68358612060547 52.80263137817383 82.87545013427734 93.04081726074219 83.04926300048828 32518.0 83.23101043701172 53.66666793823242 83.27798461914062 49.22321319580078 83.4446029663086 57.547298431396484 83.51234436035156 75.25 83.54320526123047 66.1008071899414 83.9246826171875 51.51024627685547 84.04441833496094 59726.4140625 84.23309326171875 63.54166793823242 84.29438781738281 96.96697998046875 84.35431671142578 52.37061309814453 84.45339965820312 188.90182495117188 84.59041595458984 62.186729431152344 84.71512603759766 57.00925827026367 84.74146270751953 75.63333129882812 85.02830505371094 13974.8408203125 85.06475830078125 5124.58642578125 85.09973907470703 101.0608139038086 85.1517105102539 124.36734771728516 85.21705627441406 47.79999923706055 85.284912109375 47.25 86.06014251708984 31774.12890625 86.0961685180664 531.5469970703125 86.16897583007812 72.0243911743164 86.45774841308594 69.40192413330078 86.5223159790039 79.25714111328125 87.00718688964844 448.6627197265625 87.04418182373047 1377.35400390625 87.06741333007812 1987.9124755859375 87.4255142211914 226.23313903808594 88.03949737548828 1437.5137939453125 88.07588958740234 20999.18359375 88.3294448852539 62.410255432128906 88.39803314208984 65.32432556152344 88.45649719238281 62.001922607421875 89.0236587524414 3099.944580078125 89.05970764160156 565.1333618164062 90.0546646118164 200.32237243652344 91.04069519042969 255.22720336914062 91.05245208740234 282.343505859375 92.05020904541016 2165.194091796875 92.08804321289062 59.78125 93.03335571289062 14990.9228515625 93.07102966308594 437.4923400878906 93.09881591796875 131.729736328125 93.13162994384766 111.1191177368164 93.29957580566406 75.93888854980469 93.31535339355469 52.625 93.38308715820312 60.29999923706055 94.03934478759766 517.881103515625 94.06485748291016 1238.6202392578125 95.04925537109375 110808.671875 95.33748626708984 66.4310073852539 95.35472869873047 62.031192779541016 95.41442108154297 62.285377502441406 95.58695220947266 65.0 95.60545349121094 150.96258544921875 95.6960678100586 54.16071319580078 95.74915313720703 82.28571319580078 96.05233764648438 3698.814453125 97.0278549194336 1997.0252685546875 97.06423950195312 492.0603942871094 97.08812713623047 216.22784423828125 97.42890167236328 52.06944274902344 98.05958557128906 7294.93017578125 98.11885070800781 65.875 99.04385375976562 2553.88232421875 99.06729888916016 1220.1871337890625 100.02165985107422 181.12765502929688 100.0392837524414 465.2514953613281 100.07556915283203 44465.01171875 100.22959899902344 53.227272033691406 100.2533187866211 66.95833587646484 100.28240203857422 61.0 100.314208984375 58.93939208984375 100.37019348144531 68.3494873046875 101.0242691040039 334.2676086425781 101.04310607910156 310.6278381347656 101.0595474243164 891.090087890625 101.07925415039062 1648.440185546875 102.05474853515625 5088.158203125 102.09432983398438 64.07142639160156 102.11854553222656 95.4400405883789 103.0408935546875 238.63388061523438 104.0701675415039 2800.14306640625 104.92457580566406 95.96195983886719 105.03179931640625 132.79710388183594 105.07019805908203 416.65765380859375 105.09387969970703 60.02083206176758 106.06452178955078 260.22222900390625 107.04876708984375 1533.589599609375 107.07141876220703 553.1243896484375 107.08494567871094 382.5 108.05686950683594 364.9696960449219 108.08099365234375 1363.118896484375 109.0276870727539 695.9920654296875 109.0506362915039 659.2122802734375 109.06330108642578 499.4459533691406 109.60929107666016 65.27435302734375 110.03803253173828 127.41666412353516 110.05989074707031 49953.4765625 110.2230224609375 48.72152328491211 110.24064636230469 49.07864761352539 110.28316497802734 49.625 111.04407501220703 94536.703125 111.34652709960938 50.07758712768555 111.37677001953125 52.94117736816406 111.47933197021484 141.4626007080078 111.71316528320312 76.00892639160156 111.79029083251953 52.08035659790039 111.8197021484375 54.506248474121094 112.04705810546875 3029.65771484375 112.07530975341797 2037.453857421875 112.11389923095703 49.13031768798828 112.1727066040039 48.05882263183594 113.02188110351562 117.8227310180664 113.05931091308594 3457.26904296875 113.10089111328125 66.59840393066406 113.21562957763672 103.10416412353516 114.05453491210938 588.804443359375 115.03858947753906 544.7536010742188 115.5928955078125 63.08035659790039 116.07023620605469 8714.9521484375 116.11319732666016 133.07752990722656 116.86544036865234 61.07500076293945 117.07186889648438 578.8919067382812 118.08599853515625 1006.1948852539062 119.04814910888672 160.34405517578125 120.0439224243164 344.0489501953125 120.07964324951172 665.3683471679688 121.06333923339844 356.615234375 121.0848388671875 460.50701904296875 121.68255615234375 137.5955810546875 122.0359115600586 271.5808410644531 122.05943298339844 3260.578369140625 122.09327697753906 92.9453125 123.04373931884766 55190.25390625 123.2863540649414 62.125 123.3160400390625 77.61250305175781 123.34452819824219 48.890625 123.36526489257812 50.0476188659668 124.04734802246094 2119.67138671875 124.07498931884766 1814.898681640625 124.118408203125 48.20161437988281 124.27770233154297 101.125 125.05807495117188 204.95327758789062 125.07855987548828 390.5204162597656 126.05435180664062 767.520263671875 126.09140014648438 485.3392028808594 127.03858184814453 1291.967041015625 127.06238555908203 946.3367919921875 127.24696350097656 51.45564651489258 128.0452117919922 303.39080810546875 128.07064819335938 144774.765625 128.40174865722656 194.4840545654297 128.4152374267578 82.70394897460938 128.43605041503906 120.75788116455078 128.45437622070312 94.1045913696289 128.48126220703125 72.21778106689453 128.59361267089844 85.37061309814453 128.6099853515625 52.59558868408203 128.66741943359375 54.0024528503418 128.7396697998047 144.84518432617188 129.0542449951172 8420.876953125 129.0722198486328 4973.4248046875 129.7594757080078 56.0304069519043 130.05838012695312 478.5713806152344 130.08538818359375 1061.9351806640625 130.20310974121094 60.0 131.044921875 124.80248260498047 131.06991577148438 177.0029754638672 131.08570861816406 355.7225646972656 132.04425048828125 168.0117645263672 132.08035278320312 994.0006713867188 133.04953002929688 303.14984130859375 133.06439208984375 690.5833129882812 133.100341796875 57.884803771972656 134.0597381591797 1294.1004638671875 134.09616088867188 3050.61328125 135.0674285888672 281.39764404296875 135.07994079589844 668.218994140625 135.1029052734375 91.3463134765625 135.41769409179688 57.50694274902344 135.64340209960938 71.11111450195312 136.0745391845703 2214.760498046875 136.1092529296875 271.1588439941406 137.05874633789062 352.0456848144531 137.08349609375 1698.041748046875 137.449951171875 255.17457580566406 138.05426025390625 1194.3297119140625 138.0911407470703 117.0 139.03892517089844 1594.0391845703125 139.0618896484375 704.0079956054688 139.09666442871094 395.75518798828125 140.071044921875 1581.74560546875 141.0544891357422 2358.74560546875 142.05999755859375 290.6372375488281 142.0856170654297 707.1925048828125 144.06602478027344 1432.5889892578125 144.25083923339844 49.14881134033203 144.48680114746094 64.95833587646484 145.0639190673828 323.3956298828125 145.41502380371094 53.814517974853516 145.4386444091797 62.17287063598633 145.5538330078125 54.67499923706055 145.69651794433594 208.60227966308594 146.08099365234375 463865.78125 146.4391632080078 111.25 146.4651641845703 133.8769989013672 146.48121643066406 63.529930114746094 146.50527954101562 60.51511001586914 146.53077697753906 208.63516235351562 146.5728759765625 106.87727355957031 146.59817504882812 132.6458282470703 146.6370391845703 232.4224090576172 146.6609649658203 170.0703125 146.69224548339844 250.38072204589844 146.70828247070312 106.1648941040039 146.72421264648438 80.9552230834961 146.7755126953125 48.9375 146.8338623046875 111.34091186523438 146.87225341796875 50.90815353393555 146.91683959960938 77.8375015258789 146.9383544921875 72.25116729736328 147.04510498046875 204.6803436279297 147.08432006835938 11274.1025390625 147.13389587402344 184.9031982421875 147.1956787109375 58.469154357910156 147.2657470703125 58.778846740722656 147.41482543945312 85.72000122070312 147.562255859375 51.166046142578125 147.64138793945312 53.17499923706055 147.68719482421875 70.0 148.07489013671875 3214.20263671875 148.0963134765625 971.4215087890625 148.60165405273438 66.0243911743164 149.060302734375 1038.85791015625 149.3638153076172 62.73724365234375 150.05621337890625 548.6343994140625 150.09158325195312 1550.00048828125 151.07630920410156 388.6623229980469 151.09771728515625 514.72265625 152.07069396972656 1064.9722900390625 152.1061553955078 931.482666015625 152.36521911621094 66.8026351928711 153.0523681640625 89.67857360839844 153.11477661132812 195.58583068847656 154.0507049560547 182.40277099609375 154.08604431152344 712.990234375 155.06793212890625 92.88941955566406 155.09176635742188 420.8962707519531 156.06631469726562 992.9874877929688 156.7058868408203 50.22222137451172 157.06341552734375 57.44643020629883 158.0618896484375 63.14881134033203 158.08148193359375 2309.44970703125 159.04336547851562 97.48484802246094 159.08152770996094 184.0 160.05938720703125 164.2716064453125 160.0753631591797 2256.502685546875 160.0940704345703 905.183837890625 160.55166625976562 85.32991790771484 161.0592803955078 514.77783203125 161.0809783935547 532.77783203125 162.0532684326172 190.15122985839844 162.07357788085938 455.8429870605469 162.0907745361328 5246.345703125 163.0758514404297 351.4503173828125 163.09878540039062 1091.0074462890625 164.07012939453125 3218.589599609375 164.1060333251953 715.1231689453125 164.20565795898438 111.4505844116211 164.27574157714844 68.00176239013672 165.0518035888672 77.06382751464844 166.04933166503906 172.0459747314453 166.08572387695312 2150.689208984375 167.06948852539062 603.0143432617188 167.08883666992188 258.3087463378906 168.06248474121094 605.6485595703125 168.10137939453125 1533.959228515625 169.07521057128906 309.2400207519531 169.10987854003906 154.04005432128906 170.06072998046875 190.9228973388672 170.08001708984375 1228.1142578125 170.4548797607422 51.14881134033203 170.51174926757812 48.489864349365234 171.0677490234375 111.1212158203125 171.08837890625 923.8281860351562 172.07533264160156 242.99435424804688 172.09458923339844 165.163330078125 173.05975341796875 54.13031768798828 173.08291625976562 546.3370361328125 174.0762481689453 1091.453369140625 174.08888244628906 807.6939086914062 176.07054138183594 833.5023803710938 176.10450744628906 566.6063232421875 177.04693603515625 151.77777099609375 178.08584594726562 3761.195556640625 179.09353637695312 813.3274536132812 180.0658721923828 450.82275390625 180.10235595703125 3237.448974609375 181.04989624023438 139.68601989746094 182.08111572265625 136.56756591796875 184.07447814941406 73.1025619506836 184.096435546875 641.7645874023438 184.8714599609375 67.67567443847656 186.0751190185547 358.3040771484375 186.09149169921875 868.1951293945312 187.05963134765625 255.28875732421875 187.853759765625 84.20930480957031 188.06968688964844 1296.269775390625 188.09010314941406 814.4581298828125 188.35903930664062 49.7931022644043 189.07960510253906 74.86206817626953 190.04945373535156 95.24281311035156 190.08511352539062 1587.141357421875 190.2137908935547 73.6436538696289 191.09205627441406 502.7815856933594 192.07205200195312 183.1513214111328 192.10171508789062 619.1080932617188 193.10662841796875 73.68421173095703 194.05255126953125 102.08626556396484 194.0806121826172 496.7806091308594 195.086669921875 109.4000015258789 196.09629821777344 1517.40380859375 196.13641357421875 51.882354736328125 197.10354614257812 405.607421875 198.07553100585938 272.4403076171875 198.11183166503906 2526.784912109375 199.11712646484375 119.625 200.09237670898438 218.57894897460938 202.08213806152344 148.06982421875 202.10687255859375 1031.0263671875 204.10028076171875 807.4816284179688 204.51307678222656 58.283451080322266 206.08045959472656 1491.0008544921875 207.08473205566406 290.0397033691406 208.09654235839844 2777.485107421875 209.1016082763672 321.45782470703125 210.0736846923828 256.9689025878906 210.11293029785156 490.21856689453125 210.88412475585938 94.6118392944336 212.09181213378906 365.6403503417969 212.1268310546875 162.76512145996094 214.08544921875 374.1365966796875 214.10748291015625 505.3990783691406 215.0650177001953 110.9632339477539 215.11399841308594 901.9680786132812 216.12164306640625 359.94769287109375 219.06263732910156 125.44444274902344 220.09617614746094 824.1416625976562 221.10435485839844 401.9290466308594 222.11203002929688 4010.9501953125 223.11546325683594 336.6060485839844 224.0891876220703 228.20408630371094 226.1074676513672 1613.6036376953125 227.11444091796875 599.0004272460938 228.0864715576172 129.72024536132812 228.1207733154297 73.34417724609375 231.91436767578125 56.5 232.09886169433594 1156.62841796875 232.9384765625 48.00893020629883 237.0985107421875 373.6864013671875 238.10772705078125 1938.5748291015625 239.11386108398438 93.26087188720703 240.12254333496094 4787.2529296875 240.2378692626953 50.22368240356445 240.53028869628906 47.09375 240.6062774658203 64.5860366821289 241.12716674804688 134.4199981689453 242.10166931152344 625.0166015625 244.11766052246094 372.8829650878906 246.09803771972656 277.75555419921875 248.1091766357422 96.77631378173828 250.10633850097656 3961.15283203125 251.10963439941406 132.1112060546875 256.1153564453125 573.2074584960938 258.13116455078125 406.1186218261719 259.137451171875 84.04166412353516 260.147216796875 92.81356048583984 262.1290283203125 239.26315307617188 267.88702392578125 47.10714340209961 268.11737060546875 18907.109375 268.1814880371094 284.3884582519531 268.2676696777344 89.39698028564453 268.57537841796875 67.15921020507812 269.1208801269531 990.5746459960938 272.1122741699219 300.6705322265625 273.59857177734375 60.69551467895508 286.12823486328125 15783.10546875 286.19903564453125 188.09829711914062 286.23614501953125 54.025001525878906 286.3007507324219 63.00640869140625 286.4457092285156 69.67045593261719 287.04736328125 67.00806427001953 287.13177490234375 1571.172607421875 294.6456604003906 54.084014892578125 298.8986511230469 59.57857131958008 303.7604675292969 55.90086364746094 303.8537902832031 52.9869384765625 303.93023681640625 55.45564651489258 304.0606994628906 191.3333282470703 304.1391906738281 35924.375 304.51123046875 90.38133239746094 304.5564270019531 113.04166412353516 304.6658020019531 60.440067291259766 304.7319641113281 72.0644760131836 305.1410217285156 1497.1444091796875 308.13568115234375 194.48214721679688 311.8834228515625 61.12009811401367 322.1503601074219 173.1570587158203 330.3442077636719 67.34782409667969 340.00091552734375 61.4571418762207 365.1004943847656 51.88915252685547 389.99957275390625 71.0206298828125 407.142578125 104.03034210205078 423.8888244628906 54.68055725097656 486.03265380859375 64.31410217285156 496.45587158203125 68.88587188720703 529.8565063476562 60.97282791137695 584.8458251953125 51.573978424072266 601.6431884765625 48.02045440673828 611.4725952148438 64.97058868408203 617.4601440429688 59.03703689575195 698.4677734375 74.2368392944336 700.8524780273438 77.25798034667969 722.4778442382812 63.00694274902344 722.7568969726562 50.52355194091797 737.0924682617188 60.24038314819336 809.8613891601562 88.63043212890625 937.14794921875 62.57857131958008 960.5731811523438 61.33333206176758 997.8522338867188 48.0816650390625 1002.0588989257812 51.16071319580078 1013.37109375 74.2562484741211 1022.0968017578125 47.272727966308594 1040.25 65.02564239501953 1040.3724365234375 131.6901397705078 1059.4747314453125 56.36742401123047 1077.7728271484375 50.230770111083984 1128.7674560546875 98.53388214111328 1211.4976806640625 52.355770111083984 1323.8785400390625 48.16128921508789 1375.401123046875 57.00204849243164 1397.8104248046875 56.33333206176758 1443.4066162109375 59.00833511352539 1452.24462890625 67.19757843017578 1524.20458984375 55.20192337036133 1534.254150390625 70.5 1547.0123291015625 63.16609573364258 1578.0341796875 70.44000244140625 1649.2811279296875 65.67361450195312 1765.9796142578125 58.52027130126953 1775.757080078125 92.04081726074219 1874.9072265625 48.04960250854492 1925.4398193359375 67.75614929199219 END IONS BEGIN IONS TITLE=CCMSLIB00005723224 PEPMASS=443.145946 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=20.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_A6_Methacycline-hydrochloride.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Methacycline_20eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=CN([C@H]1[C@@H]2[C@H]([C@@H]3C(c4c(C(C3=C([C@@]2(C(C(C(N)=O)=C1O)=O)O)O)=O)c(O)ccc4)=C)O)C INCHI=InChI=1S/C22H22N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-6,10,14-15,17,25,27-29,32H,1H2,2-3H3,(H2,23,31)/t10-,14-,15+,17+,22+/m1/s1 INCHIAUX=MHIGBKBJSQVXNH-IWVLMIASSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723224 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723224 SCANS=179491 55.01802444458008 1296.9903564453125 56.04997634887695 836.4298095703125 58.06526565551758 13188.4833984375 71.0125503540039 453.694580078125 72.04438018798828 2087.023193359375 74.06002044677734 568.8046264648438 82.06461334228516 435.8356018066406 83.01268005371094 2432.290283203125 84.04428100585938 899.2462158203125 86.06021118164062 9483.3759765625 94.06510162353516 431.1588134765625 95.01199340820312 900.4690551757812 97.02812957763672 1786.6285400390625 98.05984497070312 18933.587890625 100.07561492919922 2136.466796875 107.01207733154297 505.42950439453125 110.05972290039062 530.7288818359375 111.00749206542969 554.0413208007812 115.05394744873047 516.6559448242188 123.00717163085938 1246.25830078125 124.03874969482422 1138.662353515625 125.02286529541016 3086.72119140625 126.0545654296875 20138.849609375 127.05438995361328 2792.062744140625 128.06924438476562 1275.3333740234375 129.06951904296875 618.0811767578125 135.00711059570312 2745.1396484375 137.02169799804688 735.64013671875 140.0696258544922 1059.416015625 142.04922485351562 2318.3046875 144.0648956298828 2734.385986328125 145.06463623046875 2520.07275390625 147.04322814941406 547.9339599609375 150.05421447753906 647.9699096679688 151.00186157226562 724.6326293945312 152.03369140625 1255.4432373046875 152.07034301757812 2427.69189453125 153.01805114746094 3660.161376953125 154.0496063232422 95552.421875 155.0518798828125 3465.495849609375 166.0485382080078 564.191162109375 166.99749755859375 2409.114990234375 168.0284423828125 441.077392578125 169.01190185546875 727.8926391601562 170.04452514648438 9482.732421875 170.08045959472656 1154.2635498046875 173.0594024658203 6233.912109375 174.067138671875 4702.76708984375 175.07357788085938 1023.7202758789062 178.04933166503906 699.3934326171875 178.99703979492188 7567.89013671875 180.06497192382812 11465.5556640625 181.012451171875 5840.611328125 181.07318115234375 450.88970947265625 182.04396057128906 963.592041015625 182.08013916015625 2237.9736328125 183.0814208984375 603.7935791015625 185.05902099609375 1427.0089111328125 187.07489013671875 5477.1884765625 195.07955932617188 514.5479125976562 196.05990600585938 11432.7216796875 197.06114196777344 1964.7646484375 198.075927734375 33958.94140625 199.0384063720703 2482.8369140625 199.07745361328125 1421.273193359375 200.0470733642578 730.9100952148438 201.05430603027344 291093.125 202.0577850341797 13743.634765625 203.06959533691406 5786.4013671875 206.044677734375 1188.6546630859375 208.0602569580078 57685.93359375 209.06414794921875 3285.6123046875 211.04505920410156 725.4067993164062 211.07472229003906 3164.89306640625 213.0541534423828 32217.28515625 214.05984497070312 4568.9814453125 215.06900024414062 1148.976318359375 223.07423400878906 2765.956298828125 224.0546112060547 4767.1044921875 225.05429077148438 692.6148071289062 225.0894775390625 480.1578063964844 226.0706787109375 375926.84375 227.07412719726562 17367.03125 229.04940795898438 2746.204345703125 229.08502197265625 1360.446533203125 231.06466674804688 3099.94677734375 234.0402069091797 641.9767456054688 235.0460968017578 690.2512817382812 235.0728302001953 795.5599975585938 237.0534210205078 921.046875 237.0886688232422 476.4074401855469 239.0338897705078 4888.5419921875 239.06991577148438 18385.955078125 240.04054260253906 867.1212768554688 240.0725860595703 761.2149658203125 241.04966735839844 2814.025634765625 241.0849151611328 859.22314453125 242.057861328125 2616.98388671875 243.06459045410156 650.62841796875 243.1020965576172 931.6529541015625 247.07550048828125 1270.607666015625 248.05490112304688 698.2955322265625 249.0553741455078 433.8358459472656 250.062744140625 555.2405395507812 251.0703125 4032.065185546875 252.0511932373047 1649.353271484375 253.05055236816406 3171.598388671875 253.08375549316406 1656.887939453125 254.05706787109375 784.8216552734375 255.0644073486328 4390.1708984375 256.07269287109375 2004.666748046875 257.04364013671875 10465.7470703125 257.078857421875 3087.0146484375 258.0467834472656 881.0250244140625 259.0606384277344 1535.9940185546875 261.0550842285156 488.82708740234375 263.0701599121094 6229.8974609375 265.0493469238281 5841.17236328125 265.0827941894531 1232.233154296875 266.0565185546875 831.9014282226562 267.065185546875 20893.662109375 268.0370788574219 851.8604736328125 268.0682373046875 1628.4678955078125 269.0445556640625 813.2313842773438 269.080078125 4247.7109375 270.05224609375 4068.05078125 273.0518798828125 558.6841430664062 273.07537841796875 5662.927734375 274.07879638671875 658.4074096679688 275.06964111328125 756.8513793945312 277.05059814453125 1096.1141357421875 279.0647277832031 11145.0478515625 280.0665283203125 697.890625 281.0438537597656 2564.263427734375 281.0811462402344 4080.93212890625 283.0595397949219 20779.71484375 284.06231689453125 2099.239990234375 285.0755310058594 6739.57470703125 286.0791320800781 609.7509155273438 288.04901123046875 583.0267944335938 289.0497131347656 1274.9422607421875 290.11651611328125 443.551025390625 291.0650329589844 11666.2421875 292.0686340332031 1411.63720703125 293.0429992675781 462.7265625 293.08013916015625 2734.255615234375 294.05108642578125 952.107666015625 294.1106262207031 1975.8824462890625 295.0592956542969 8428.03125 296.06488037109375 868.6493530273438 297.0762634277344 7097.4013671875 298.0774841308594 1284.16015625 305.0432434082031 2810.010498046875 306.0507507324219 803.0399780273438 307.0599060058594 37663.97265625 308.064453125 3148.65625 308.125732421875 458.4122619628906 309.03851318359375 2135.72021484375 309.0751953125 9994.4990234375 310.0785827636719 717.7589111328125 311.05340576171875 3564.3544921875 311.0877990722656 824.1563110351562 312.0578918457031 955.4837646484375 312.1227111816406 5932.548828125 313.0703125 1223.283447265625 313.1266784667969 800.888916015625 317.0441589355469 5186.3408203125 318.0487976074219 538.1818237304688 318.1098327636719 680.1445922851562 319.0594177246094 18419.328125 320.0307312011719 500.2083435058594 320.0628967285156 1889.1497802734375 321.0408020019531 930.3854370117188 321.0746765136719 1043.31298828125 322.0469055175781 1687.45751953125 322.10638427734375 801.406005859375 323.0546875 2842.0400390625 324.05963134765625 456.37054443359375 325.0702819824219 20172.341796875 326.0738220214844 1850.2044677734375 330.1322937011719 1873.3482666015625 334.0476379394531 801.3840942382812 334.1069641113281 1509.8974609375 335.05462646484375 60713.8671875 336.05804443359375 6453.0126953125 336.1221923828125 1706.493408203125 337.07080078125 104990.78125 338.0737609863281 8696.9990234375 340.11749267578125 617.5313110351562 345.0394592285156 1907.02978515625 347.0543518066406 2760.553466796875 348.0870361328125 932.4708251953125 350.04150390625 4646.13134765625 352.0543212890625 779.4556274414062 352.0810852050781 1168.806640625 352.1172790527344 2055.875732421875 353.06512451171875 23787.373046875 354.068359375 1230.7796630859375 355.1036376953125 505.0059509277344 356.1119384765625 1295.19091796875 362.1025390625 6870.91796875 363.04937744140625 56672.8203125 364.05352783203125 6087.7734375 364.1180419921875 5243.232421875 365.0655212402344 56735.9375 366.0686950683594 5647.2265625 375.0713806152344 801.04541015625 379.1032409667969 2228.731689453125 380.1129150390625 22427.595703125 381.0601501464844 595504.375 381.6352233886719 443.1201171875 382.0638122558594 52188.29296875 382.1241760253906 2558.20166015625 383.07574462890625 2890.1416015625 384.0812072753906 461.6064147949219 390.09722900390625 18267.08203125 391.1028137207031 4975.1884765625 393.08526611328125 2105.110107421875 398.0865783691406 5088.78857421875 398.1206359863281 3128.617431640625 399.0901184082031 569.0362548828125 408.1075439453125 120950.46875 409.1106872558594 13785.0205078125 425.1320495605469 793.5943603515625 426.12017822265625 4416538.0 426.7433166503906 450.4231872558594 426.80291748046875 567.7029418945312 426.8678894042969 460.8968811035156 426.9271240234375 697.2138061523438 427.1214599609375 549926.0 428.07171630859375 446.17852783203125 443.1448669433594 95948.328125 444.1483154296875 8413.6396484375 END IONS BEGIN IONS TITLE=CCMSLIB00005723225 PEPMASS=443.145946 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=40.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_A6_Methacycline-hydrochloride.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Methacycline_40eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=CN([C@H]1[C@@H]2[C@H]([C@@H]3C(c4c(C(C3=C([C@@]2(C(C(C(N)=O)=C1O)=O)O)O)=O)c(O)ccc4)=C)O)C INCHI=InChI=1S/C22H22N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-6,10,14-15,17,25,27-29,32H,1H2,2-3H3,(H2,23,31)/t10-,14-,15+,17+,22+/m1/s1 INCHIAUX=MHIGBKBJSQVXNH-IWVLMIASSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723225 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723225 SCANS=179824 51.02263259887695 329.70672607421875 53.00285339355469 1650.8795166015625 53.03866195678711 1731.3895263671875 54.03348922729492 164.638427734375 55.01811218261719 29657.1328125 55.04001998901367 1094.3787841796875 55.054534912109375 1109.0501708984375 56.021053314208984 679.7769165039062 56.04985427856445 6512.078125 57.03314208984375 653.2682495117188 57.057456970214844 1494.922119140625 58.02900314331055 180.0036163330078 58.06550598144531 144723.03125 58.35194396972656 174.5206756591797 58.72933578491211 149.19668579101562 59.06877899169922 3073.8349609375 62.15534591674805 214.83755493164062 65.03857421875 595.9664916992188 67.0177001953125 1487.7728271484375 67.04134368896484 601.4305419921875 67.05397033691406 818.7316284179688 68.04956817626953 2398.88818359375 68.99716186523438 4950.36083984375 69.03350067138672 7929.6474609375 70.06519317626953 13386.6982421875 70.09935760498047 218.0309295654297 71.01266479492188 15227.2265625 71.03606414794922 1636.5391845703125 71.07195281982422 537.0772705078125 72.01625061035156 170.20889282226562 72.04443359375 11502.009765625 72.08055114746094 2059.883544921875 73.02877044677734 1182.3707275390625 74.06001281738281 4291.70556640625 77.03912353515625 1905.141845703125 79.01780700683594 3015.83837890625 79.05470275878906 196.0029754638672 80.04920196533203 1667.2344970703125 81.03335571289062 5915.3095703125 82.06494903564453 8495.0703125 83.0126724243164 76999.90625 84.01576232910156 555.2941284179688 84.04429626464844 17416.263671875 84.08049011230469 2665.056884765625 85.02737426757812 552.9398193359375 85.05060577392578 970.2026977539062 86.06008911132812 34626.703125 88.07499694824219 857.0245971679688 91.0162124633789 237.47825622558594 91.05486297607422 718.066162109375 92.99641418457031 424.4568176269531 93.07022094726562 157.698974609375 94.02835083007812 197.08450317382812 94.064697265625 959.691162109375 95.01246643066406 5225.9775390625 95.04879760742188 684.1966552734375 96.01911163330078 164.34375 96.0450210571289 790.0379028320312 96.08024597167969 1308.2130126953125 96.99288940429688 283.0384521484375 97.00701904296875 220.88162231445312 97.0281753540039 13282.7255859375 97.05106353759766 2702.650634765625 97.08357238769531 420.9941101074219 98.00955200195312 195.71934509277344 98.03135681152344 554.6806640625 98.0598373413086 270284.21875 98.46118927001953 206.14894104003906 98.51624298095703 310.9615783691406 99.00723266601562 9645.66796875 99.03805541992188 447.3520812988281 99.06341552734375 4143.0634765625 100.01045989990234 416.57672119140625 100.07561492919922 11152.099609375 101.02288055419922 2067.7509765625 101.03650665283203 801.4380493164062 101.07843017578125 428.4755554199219 102.054931640625 4218.38720703125 103.00145721435547 216.5614471435547 105.03286743164062 171.0 106.0639877319336 707.2407836914062 106.98713684082031 203.61595153808594 107.01251983642578 15731.6005859375 107.06076049804688 379.6269836425781 108.04419708251953 1326.2489013671875 108.08101654052734 1190.2095947265625 109.0282211303711 24942.9453125 110.01386260986328 211.11363220214844 110.03148651123047 709.000244140625 110.05951690673828 3941.28125 111.00685119628906 3191.725341796875 111.04393005371094 299.66943359375 111.0670166015625 865.827392578125 112.0097885131836 172.10252380371094 112.0385513305664 368.74090576171875 112.07479858398438 631.69970703125 112.98603820800781 292.4236755371094 113.02306365966797 1481.7296142578125 113.08248138427734 451.9903869628906 114.02669525146484 235.6923065185547 114.05430603027344 2010.5555419921875 114.09046173095703 145.69882202148438 114.44775390625 238.50241088867188 115.05365753173828 3504.18310546875 115.1339111328125 184.11671447753906 116.05831146240234 312.1002502441406 117.06977844238281 2208.90087890625 119.04788208007812 555.4879150390625 119.79196166992188 153.0889892578125 121.02786254882812 3126.196044921875 121.06462860107422 1244.5640869140625 122.0595932006836 3029.02685546875 123.00743103027344 37920.0703125 123.03945922851562 1223.172607421875 124.0121841430664 597.921630859375 124.03883361816406 12300.3818359375 124.07550811767578 7916.4814453125 124.98699951171875 794.2730712890625 125.02314758300781 28709.013671875 125.0836181640625 553.8674926757812 126.02851867675781 408.0588684082031 126.0547103881836 71470.4609375 126.08978271484375 3150.173828125 126.30335235595703 174.81349182128906 126.62055206298828 256.9836120605469 127.00245666503906 803.5314331054688 127.05436706542969 14902.556640625 127.974853515625 144.06982421875 128.0701446533203 18978.66015625 128.11439514160156 219.0833282470703 129.0699462890625 10140.935546875 131.04844665527344 1107.5567626953125 131.08531188964844 532.5243530273438 132.05389404296875 161.68084716796875 134.0601043701172 2621.118408203125 135.0071258544922 17212.21875 135.05917358398438 260.0321350097656 136.0147705078125 584.4672241210938 136.03834533691406 415.45880126953125 136.0753173828125 1369.2984619140625 136.98617553710938 318.915283203125 137.02296447753906 34928.9765625 138.02674865722656 1390.658203125 138.05430603027344 1967.6357421875 139.001953125 3574.510986328125 139.02670288085938 4292.74853515625 139.06195068359375 1621.4371337890625 140.0321044921875 792.0123901367188 140.07003784179688 3838.184814453125 141.0183868408203 4658.44091796875 141.07073974609375 2676.84521484375 142.02328491210938 209.57467651367188 142.04879760742188 2668.30859375 142.0853271484375 257.7055969238281 143.0252685546875 147.06382751464844 143.04876708984375 1305.6500244140625 143.0840301513672 505.4053955078125 144.0652313232422 3222.177490234375 145.0646209716797 38980.140625 146.06809997558594 1712.336181640625 147.00726318359375 897.6439208984375 147.0440216064453 6060.23779296875 147.07974243164062 1578.229248046875 148.0504913330078 191.33139038085938 148.98672485351562 5532.99560546875 149.0215606689453 688.122802734375 149.05892944335938 230.28445434570312 149.9961700439453 211.22000122070312 150.0547637939453 2712.498046875 150.97804260253906 181.1717987060547 151.0022735595703 26398.48828125 151.06045532226562 1221.6605224609375 151.8886260986328 259.1241760253906 152.00828552246094 1518.130126953125 152.03379821777344 8957.7978515625 152.0703125 40710.75390625 153.01776123046875 41796.203125 153.0740203857422 3110.256591796875 154.02005004882812 1406.35888671875 154.0494842529297 186208.359375 154.08505249023438 11711.125 155.0497283935547 24933.884765625 155.08531188964844 1458.3409423828125 156.0341796875 155.8291473388672 156.06504821777344 7604.705078125 157.0641632080078 9837.685546875 158.07211303710938 875.017333984375 159.0434112548828 1200.2432861328125 159.0797576904297 7303.4033203125 160.05055236816406 657.001220703125 160.08187866210938 323.08013916015625 161.06005859375 1575.9521484375 161.0960693359375 198.06982421875 162.05508422851562 1802.3310546875 163.0017852783203 3268.6376953125 163.06028747558594 1129.2510986328125 164.01036071777344 615.1024169921875 164.0332489013672 573.6461791992188 164.0695343017578 1715.2017822265625 165.01791381835938 7819.5595703125 165.06982421875 5514.4892578125 166.02438354492188 446.7372741699219 166.04920959472656 2636.8984375 166.07566833496094 746.4848022460938 166.9971160888672 8557.2158203125 167.03509521484375 1631.4478759765625 167.084716796875 3179.939453125 168.0641326904297 2911.13427734375 168.2220458984375 181.61280822753906 169.01242065429688 4070.028564453125 169.0652618408203 3261.96240234375 169.09962463378906 353.0018615722656 170.01358032226562 212.47845458984375 170.04443359375 2913.091552734375 170.08096313476562 4350.62890625 171.0437469482422 7219.32177734375 171.079833984375 3530.09423828125 172.04977416992188 556.56103515625 172.08358764648438 281.3118591308594 173.02281188964844 279.0761413574219 173.05938720703125 37973.4140625 174.06716918945312 31909.6015625 175.00302124023438 325.6265563964844 175.0390625 162.8828125 175.07501220703125 12303.126953125 176.0608367919922 239.18508911132812 176.07797241210938 533.843505859375 177.01654052734375 574.3250732421875 177.04119873046875 225.0012664794922 177.06942749023438 2179.625244140625 178.01913452148438 153.38235473632812 178.0493621826172 5034.4462890625 178.07565307617188 1907.396728515625 178.99716186523438 21980.8671875 179.0550994873047 2415.1484375 179.08473205566406 3554.0126953125 180.00274658203125 367.17474365234375 180.06546020507812 82959.8046875 181.0128631591797 12785.4677734375 181.06736755371094 8158.32470703125 181.09613037109375 1025.9930419921875 182.0142364501953 266.1333312988281 182.0441436767578 3471.098876953125 182.08038330078125 5136.18994140625 183.0285186767578 655.5869140625 183.04931640625 1127.16748046875 183.08018493652344 7020.75244140625 184.05426025390625 2670.297119140625 185.0592498779297 18808.138671875 185.0944366455078 1219.21923828125 185.5863494873047 185.36985778808594 186.02938842773438 148.91412353515625 186.06674194335938 9161.0810546875 187.0387725830078 3038.45458984375 187.0751953125 67188.1640625 188.03472900390625 344.4629211425781 188.07789611816406 2630.5625 189.01864624023438 1312.65771484375 189.06861877441406 1577.0706787109375 190.02102661132812 153.99276733398438 190.05076599121094 1251.15478515625 190.07647705078125 694.6801147460938 190.99769592285156 452.0873718261719 191.02354431152344 1108.495849609375 191.0548858642578 948.0728759765625 191.0850830078125 2384.679931640625 192.0608367919922 678.7969970703125 192.08773803710938 280.133056640625 193.01068115234375 662.9732666015625 193.0350799560547 1403.5771484375 193.0642547607422 3160.797607421875 193.0962677001953 495.6499938964844 194.04432678222656 2042.046875 194.07383728027344 1452.6865234375 194.99325561523438 521.638671875 195.04273986816406 658.5625 195.0801544189453 22371.0546875 196.05990600585938 16575.609375 197.0597381591797 17324.25 197.09423828125 1947.3253173828125 198.0758819580078 52817.38671875 199.0389404296875 66497.46875 199.0743865966797 12728.1650390625 200.0458526611328 16089.3798828125 200.9450225830078 196.8800048828125 201.05441284179688 1519762.125 201.47698974609375 294.4924621582031 201.5224151611328 177.31527709960938 201.5424041748047 165.60121154785156 201.58859252929688 224.42137145996094 201.64495849609375 158.42105102539062 201.70785522460938 272.7949523925781 201.7466583251953 156.70291137695312 201.7742156982422 157.8671112060547 201.8101806640625 171.70973205566406 201.8462371826172 199.008544921875 201.87530517578125 150.69357299804688 201.9132843017578 151.1858367919922 201.9815216064453 246.19154357910156 202.0153350830078 471.84429931640625 202.05807495117188 68242.75 202.4568328857422 223.8400421142578 203.00009155273438 227.7794189453125 203.07017517089844 12219.9033203125 203.1289825439453 207.63731384277344 203.2169189453125 146.2908172607422 204.0283203125 404.6695251464844 204.07254028320312 922.84228515625 205.0142364501953 396.8395080566406 205.06443786621094 2860.7958984375 206.04437255859375 2783.57177734375 206.0714874267578 969.8988037109375 206.99224853515625 1557.314208984375 207.0498809814453 616.8831176757812 207.08013916015625 11197.30078125 208.0603485107422 101480.7578125 209.0060577392578 226.03758239746094 209.06149291992188 9730.27734375 209.09466552734375 2584.588134765625 210.06784057617188 3483.232421875 210.096435546875 660.6947021484375 210.12533569335938 240.00961303710938 211.04124450683594 11808.1044921875 211.0752410888672 76438.4375 212.0458526611328 6232.7939453125 212.0778045654297 5235.41845703125 213.05438232421875 405178.90625 213.66827392578125 168.7232208251953 213.75375366210938 201.1341094970703 213.83465576171875 149.4802703857422 214.0596923828125 33621.34765625 214.9988250732422 205.2236785888672 215.03115844726562 347.052734375 215.06979370117188 7056.06982421875 216.04107666015625 3739.4501953125 217.01284790039062 1991.9879150390625 217.06565856933594 2765.5791015625 218.07199096679688 920.2901611328125 219.02981567382812 486.0923767089844 219.0797882080078 4173.26171875 220.05677795410156 696.4381103515625 220.08387756347656 204.33241271972656 221.05972290039062 13801.51171875 221.3769073486328 246.6334686279297 222.03616333007812 257.4285583496094 222.0653533935547 2019.2630615234375 223.0382080078125 2469.17529296875 223.0750732421875 45566.1796875 224.05181884765625 4943.076171875 224.07711791992188 2978.114013671875 225.0543975830078 14284.0244140625 225.09034729003906 7175.37158203125 226.07061767578125 57155.46875 227.03346252441406 376.424072265625 227.07049560546875 28795.390625 228.03846740722656 202.0037841796875 228.07479858398438 1875.3763427734375 229.04946899414062 25372.546875 229.08448791503906 6810.97265625 230.0552520751953 1991.58203125 230.08712768554688 339.88934326171875 230.99781799316406 214.4473419189453 231.0294647216797 463.1708679199219 231.0645294189453 14125.5126953125 231.1251678466797 219.8171844482422 232.06845092773438 706.3081665039062 232.11158752441406 158.8780517578125 233.00796508789062 145.57025146484375 233.05950927734375 5715.60498046875 234.04107666015625 393.5556640625 234.06668090820312 2052.962158203125 235.0457305908203 831.9850463867188 235.07525634765625 42199.5078125 236.04832458496094 1816.445068359375 236.0794677734375 3592.529052734375 237.01742553710938 229.72190856933594 237.0543670654297 27787.138671875 237.08840942382812 3838.2255859375 238.06103515625 4833.94287109375 238.12220764160156 666.41796875 238.98321533203125 246.25807189941406 239.03353881835938 49248.0625 239.0700225830078 188272.78125 239.68882751464844 152.24392700195312 239.7554473876953 152.0009307861328 239.93765258789062 291.80999755859375 240.04129028320312 14726.3525390625 240.0738067626953 12886.29296875 241.04949951171875 36079.21875 241.08416748046875 6678.0673828125 241.99232482910156 174.42691040039062 242.01303100585938 150.25807189941406 242.05728149414062 14166.005859375 242.11666870117188 255.3600311279297 242.2227783203125 210.37158203125 243.0648956298828 4169.27392578125 243.9929962158203 161.2452850341797 244.034912109375 220.3356475830078 244.0677490234375 233.4353790283203 244.1092987060547 299.25 245.0076446533203 166.32723999023438 245.059326171875 3905.388671875 246.06539916992188 704.7108764648438 246.16098022460938 169.57467651367188 247.03831481933594 642.148193359375 247.0756072998047 11574.4990234375 248.04550170898438 1679.400146484375 248.07960510253906 592.4625244140625 248.10610961914062 1070.001708984375 249.05445861816406 21413.001953125 249.1161346435547 353.84600830078125 250.06202697753906 5200.02490234375 250.11898803710938 181.875 251.03338623046875 969.0482177734375 251.07008361816406 64746.0 252.04156494140625 6193.9033203125 252.0740203857422 6423.2705078125 252.13571166992188 218.06617736816406 253.04966735839844 35039.44140625 253.085205078125 12888.1943359375 254.0564422607422 13754.712890625 254.11581420898438 611.0010986328125 254.99984741210938 178.0835723876953 255.0649871826172 58426.73828125 255.4027862548828 151.36526489257812 256.0423889160156 190.04969787597656 256.0715026855469 12889.974609375 256.1321105957031 1333.6019287109375 257.0440979003906 33032.92578125 257.0802307128906 18647.13671875 257.2134094238281 187.6666717529297 258.05224609375 18158.912109375 258.2291564941406 170.2051239013672 259.0592956542969 6850.3857421875 260.0616149902344 253.1999969482422 260.1053771972656 387.98822021484375 261.05426025390625 16434.876953125 262.0599060058594 2303.739013671875 263.07000732421875 84022.296875 264.04193115234375 2835.519775390625 264.0732727050781 5999.39404296875 264.13702392578125 261.75 264.7459411621094 264.9206237792969 264.9960021972656 160.28175354003906 265.0494384765625 82050.03125 265.08270263671875 13460.619140625 266.0563659667969 17531.416015625 266.1174621582031 5112.388671875 267.010498046875 245.57102966308594 267.06536865234375 115439.875 267.7388610839844 141.52154541015625 267.9964904785156 230.14825439453125 268.0364685058594 56610.328125 268.06622314453125 13668.732421875 269.041748046875 5006.66748046875 269.0804748535156 15373.0771484375 270.0522766113281 10232.771484375 270.08221435546875 2167.575439453125 271.0595397949219 1422.5872802734375 272.0439147949219 245.08450317382812 273.0744934082031 16378.5849609375 274.05938720703125 1085.8614501953125 274.0753479003906 811.14404296875 275.03369140625 1611.7647705078125 275.0700378417969 5630.7587890625 276.0422668457031 1368.1611328125 276.0693359375 554.001708984375 276.1018371582031 1005.2318115234375 277.04901123046875 14354.0908203125 277.08477783203125 1436.48095703125 278.0560607910156 4431.0419921875 278.1180419921875 1233.015625 278.99688720703125 141.47116088867188 279.0652160644531 158439.078125 279.5794982910156 159.51882934570312 279.6090393066406 186.4376678466797 279.6896057128906 198.0258331298828 280.0377502441406 1383.339111328125 280.06884765625 12319.875 280.1314697265625 1031.477783203125 281.04425048828125 27782.25 281.08026123046875 21079.52734375 282.0487976074219 3350.24169921875 282.0829772949219 2013.79150390625 282.1103820800781 1260.817138671875 282.9018249511719 154.9619598388672 283.0133361816406 441.91357421875 283.0600891113281 237953.40625 283.56329345703125 168.1796875 283.6591796875 168.66944885253906 284.0632629394531 18645.25390625 284.12884521484375 2484.090576171875 285.0754089355469 32307.642578125 286.0793762207031 1588.8489990234375 287.0332336425781 254.56858825683594 287.060791015625 151.71533203125 288.03973388671875 266.55963134765625 288.0630798339844 163.4386749267578 288.099609375 381.4486083984375 289.02099609375 261.37811279296875 289.04901123046875 29136.11328125 289.1390380859375 340.3333435058594 290.05511474609375 4883.53369140625 290.1175842285156 2378.898681640625 291.0243225097656 192.80499267578125 291.06512451171875 97412.921875 292.0359802246094 12043.9033203125 292.06768798828125 11084.2060546875 292.1324768066406 364.0889892578125 293.04449462890625 8419.7080078125 293.08099365234375 7456.7509765625 294.01239013671875 191.3295440673828 294.0514831542969 16100.685546875 294.1120910644531 9632.873046875 295.0594787597656 22467.20703125 295.1149597167969 1199.7633056640625 296.0309753417969 535.9086303710938 296.0653381347656 1485.1065673828125 296.128173828125 683.0333862304688 297.07525634765625 14991.6845703125 297.09759521484375 13508.779296875 298.0433654785156 438.7800598144531 298.0789794921875 1383.716064453125 298.1020812988281 1785.5760498046875 299.03271484375 168.00286865234375 300.09991455078125 417.2149658203125 301.0491943359375 3354.200927734375 301.1275634765625 171.6647186279297 302.0558776855469 526.783447265625 303.0270690917969 558.9620361328125 303.06658935546875 2674.73681640625 304.03704833984375 2243.53076171875 304.0954895019531 976.8232421875 305.04425048828125 22513.6171875 306.01812744140625 200.1661376953125 306.05059814453125 4839.72607421875 306.1115417480469 3311.564208984375 307.0001525878906 221.34451293945312 307.0236511230469 1085.409423828125 307.0602722167969 144127.625 308.0655822753906 22698.466796875 308.1279296875 1715.0260009765625 309.0390930175781 7903.150390625 309.0754699707031 28872.01171875 310.0452880859375 1019.6361083984375 310.07861328125 2281.17138671875 310.1053161621094 1273.0714111328125 311.0544128417969 4509.529296875 311.1113586425781 722.5156860351562 312.057861328125 749.1262817382812 312.12213134765625 18481.2890625 313.0696716308594 761.4939575195312 313.1258239746094 2236.165283203125 314.0715026855469 259.1488952636719 316.0959167480469 1246.640625 317.04412841796875 32398.82421875 317.1022033691406 1042.3729248046875 318.0491027832031 4176.43798828125 318.1116027832031 1695.433349609375 319.0149841308594 198.41026306152344 319.0595703125 68945.25 319.6695251464844 169.5749969482422 320.03094482421875 12657.720703125 320.0625915527344 6819.26806640625 321.03851318359375 10026.4716796875 321.07476806640625 3677.75732421875 322.0467834472656 36267.546875 322.1063232421875 3335.75146484375 323.05364990234375 6401.3076171875 323.1098937988281 591.8370971679688 324.0615539550781 1332.69384765625 324.08380126953125 809.1822509765625 324.1222839355469 1461.5421142578125 325.0698547363281 10785.0859375 325.1231689453125 440.14544677734375 326.0765380859375 1024.9307861328125 329.0430908203125 1507.166748046875 330.0171203613281 287.36798095703125 330.06256103515625 154.38563537597656 330.1309814453125 1101.6866455078125 331.0608825683594 297.90179443359375 331.0821838378906 1002.3017578125 332.0315246582031 145.14285278320312 332.0527648925781 541.2423706054688 332.0940246582031 420.0083312988281 333.0400695800781 613.4295043945312 333.07177734375 283.834716796875 333.10113525390625 267.0382080078125 334.04791259765625 3582.9658203125 334.10693359375 4741.9111328125 334.97467041015625 155.11846923828125 335.0548400878906 96437.1796875 335.6064453125 196.4098358154297 336.0216979980469 252.68292236328125 336.05841064453125 10851.427734375 336.1211853027344 2114.660888671875 337.0705871582031 91695.125 337.7539367675781 156.01388549804688 338.04150390625 1095.736083984375 338.0733337402344 6853.0341796875 340.1162414550781 549.0704956054688 343.0596618652344 262.5111083984375 344.0893249511719 1007.7415771484375 344.8173522949219 267.625 345.04010009765625 4655.6181640625 345.094970703125 634.8810424804688 346.0469665527344 890.7234497070312 346.06903076171875 568.4307250976562 346.10723876953125 758.6365356445312 347.0556335449219 19767.814453125 347.618408203125 237.69422912597656 348.0261535644531 6607.82275390625 348.05426025390625 2368.42724609375 348.0805358886719 1226.787109375 349.02972412109375 571.4366455078125 349.0699462890625 740.50146484375 349.0904846191406 632.3228759765625 349.9682922363281 233.89285278320312 350.0420227050781 102836.8828125 351.04571533203125 11961.146484375 351.1241760253906 209.7794189453125 352.0553894042969 403.703857421875 352.0809326171875 1681.9898681640625 352.11895751953125 1497.171630859375 353.06512451171875 5828.44921875 353.1173400878906 246.56903076171875 353.8993835449219 161.0284881591797 354.07025146484375 782.2789306640625 354.1299743652344 248.9583282470703 358.0682678222656 183.0954132080078 360.0533752441406 277.91741943359375 360.0871276855469 234.7705535888672 361.09375 262.33929443359375 362.1020812988281 5842.99560546875 363.01226806640625 362.5711975097656 363.04962158203125 53805.328125 364.0536193847656 5473.0771484375 364.1153869628906 417.12811279296875 365.0657958984375 70975.1171875 366.0378723144531 626.9119873046875 366.06829833984375 5937.43408203125 367.0787048339844 154.1570587158203 372.0843811035156 503.5794677734375 375.03216552734375 355.0403137207031 375.0735778808594 2335.658447265625 376.0810546875 5782.97412109375 377.083251953125 579.96337890625 378.0597839355469 757.9088134765625 379.1035461425781 788.7872314453125 380.1131591796875 4251.521484375 381.0599365234375 27934.6953125 382.0625305175781 2030.3533935546875 383.0745544433594 302.0008544921875 390.04376220703125 168.01315307617188 390.0962219238281 7225.259765625 391.10443115234375 1455.3170166015625 393.0829772949219 2163.27685546875 394.0912170410156 975.8253173828125 398.1251525878906 238.0800018310547 408.1072692871094 5139.53515625 409.1131286621094 523.7869873046875 421.28076171875 180.23558044433594 426.11834716796875 11984.779296875 427.1203308105469 2073.273193359375 540.513427734375 229.0400390625 570.7994384765625 251.56903076171875 1638.69140625 242.7335662841797 END IONS BEGIN IONS TITLE=CCMSLIB00005723226 PEPMASS=443.145946 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=50.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_A6_Methacycline-hydrochloride.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Methacycline_50eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=CN([C@H]1[C@@H]2[C@H]([C@@H]3C(c4c(C(C3=C([C@@]2(C(C(C(N)=O)=C1O)=O)O)O)=O)c(O)ccc4)=C)O)C INCHI=InChI=1S/C22H22N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-6,10,14-15,17,25,27-29,32H,1H2,2-3H3,(H2,23,31)/t10-,14-,15+,17+,22+/m1/s1 INCHIAUX=MHIGBKBJSQVXNH-IWVLMIASSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723226 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723226 SCANS=180156 51.023258209228516 2191.34619140625 53.002532958984375 4176.59619140625 53.038909912109375 4454.84033203125 54.009185791015625 135.11376953125 54.03361511230469 182.33139038085938 54.04152297973633 207.9837646484375 55.01808547973633 59050.109375 55.05433654785156 3060.38427734375 55.277870178222656 163.7781219482422 56.02138900756836 1064.712890625 56.04983139038086 18501.212890625 57.03414535522461 737.0905151367188 57.05718994140625 2886.22509765625 58.029518127441406 736.7669677734375 58.06531524658203 212007.921875 58.31269836425781 156.2257537841797 59.068721771240234 3715.533935546875 60.328861236572266 134.43405151367188 63.023136138916016 121.03408813476562 65.03894805908203 2132.98828125 66.0425033569336 211.9401092529297 67.0178451538086 4282.26904296875 67.04118347167969 1388.7764892578125 67.0527114868164 836.644775390625 68.04962921142578 8414.0029296875 68.99717712402344 14919.0537109375 69.03339385986328 4936.91015625 69.05608367919922 645.6788330078125 69.99974822998047 197.3984375 70.0284194946289 466.8269958496094 70.0652084350586 30603.66796875 71.0128402709961 17486.201171875 71.0365982055664 4240.19677734375 71.07137298583984 1418.392822265625 72.01522064208984 232.75811767578125 72.04450225830078 17019.478515625 72.0807876586914 3865.316162109375 73.028076171875 1681.21044921875 73.05171966552734 228.3518524169922 74.03018188476562 128.0625 74.0602035522461 4459.96728515625 75.0633316040039 423.5437316894531 77.0386962890625 1684.388671875 78.0344009399414 125.83702850341797 78.0460205078125 129.00640869140625 79.01760864257812 10602.6416015625 79.05391693115234 564.0914306640625 80.02025604248047 159.20118713378906 80.04913330078125 2999.662841796875 81.03350067138672 11053.921875 81.05596923828125 1578.469482421875 82.00479125976562 160.52072143554688 82.03231048583984 498.3457336425781 82.06507110595703 17321.021484375 82.1066665649414 148.28929138183594 83.01268768310547 110690.8671875 83.27983856201172 125.42500305175781 84.01652526855469 1798.5433349609375 84.04436492919922 21153.185546875 84.08092498779297 3833.7451171875 85.0281982421875 1403.51220703125 85.04935455322266 316.6068115234375 85.08412170410156 219.94091796875 85.98504638671875 256.7202453613281 86.03233337402344 160.67013549804688 86.06010437011719 31959.880859375 86.44972229003906 207.01333618164062 87.0429458618164 200.49240112304688 87.0666732788086 505.43072509765625 88.07599639892578 1082.6944580078125 89.0390625 150.0532684326172 89.10838317871094 141.11111450195312 91.0180435180664 232.22903442382812 91.05393981933594 2839.7373046875 92.0259780883789 341.7174377441406 92.9970703125 634.3676147460938 93.0335693359375 2310.802734375 93.05675506591797 675.9600830078125 94.06472778320312 3425.807861328125 95.01251220703125 13398.443359375 95.04823303222656 1287.8907470703125 95.06698608398438 429.6879577636719 96.01835632324219 379.87841796875 96.04401397705078 2191.272705078125 96.08041381835938 2637.4873046875 96.99147033691406 1644.1104736328125 97.02812194824219 16222.033203125 97.05130767822266 3605.522216796875 97.08576965332031 341.4383544921875 97.99305725097656 261.6563720703125 98.03044891357422 517.630126953125 98.05980682373047 299714.28125 98.40123748779297 137.76976013183594 98.47870635986328 139.14959716796875 99.00740051269531 11059.20703125 99.0632553100586 8307.603515625 100.01056671142578 552.3758544921875 100.03840637207031 163.6955108642578 100.07540893554688 12222.28125 100.11520385742188 156.25802612304688 101.02371978759766 684.782470703125 101.0365219116211 402.35552978515625 102.05462646484375 3514.615966796875 103.05475616455078 357.0194396972656 104.99717712402344 450.8204650878906 105.0323257446289 743.7788696289062 105.06866455078125 197.22457885742188 106.06517028808594 2299.443603515625 106.998779296875 269.7041931152344 107.01235961914062 25484.455078125 107.04686737060547 1105.5450439453125 107.06816101074219 575.6898193359375 108.01757049560547 642.0418701171875 108.0438232421875 3240.783447265625 108.08073425292969 2939.185546875 109.02823638916016 35449.00390625 109.14801025390625 174.01515197753906 110.03266906738281 1599.4713134765625 110.05941009521484 6038.8115234375 110.09315490722656 220.0376434326172 111.00758361816406 3804.16650390625 111.04340362548828 867.2730712890625 111.06158447265625 292.3018798828125 112.01107025146484 134.1329803466797 112.03736114501953 414.51904296875 112.0750732421875 1895.8037109375 113.02333068847656 1806.9669189453125 113.04345703125 641.3353881835938 113.0831298828125 607.023681640625 114.05457305908203 2661.611572265625 114.09058380126953 219.7680206298828 115.053955078125 13688.4462890625 115.4068603515625 182.28665161132812 116.05882263183594 735.5120239257812 117.03243255615234 244.52200317382812 117.06954956054688 18482.705078125 117.11122131347656 205.23924255371094 118.07382202148438 887.1725463867188 119.0140380859375 1107.2391357421875 119.04872131347656 1659.3787841796875 120.04911804199219 193.04978942871094 120.8024673461914 255.17013549804688 120.99180603027344 474.8418273925781 121.02812957763672 4636.17041015625 121.06391906738281 838.7439575195312 121.99799346923828 212.5 122.03495788574219 242.1407470703125 122.06005859375 4458.41015625 122.09497833251953 166.0 123.00756072998047 47716.8359375 123.06692504882812 1355.9005126953125 124.01277160644531 2265.753662109375 124.03868103027344 8768.2421875 124.0751953125 13073.361328125 125.02305603027344 20502.91796875 125.04498291015625 3369.002685546875 125.08032989501953 1066.38037109375 126.03013610839844 558.834716796875 126.05462646484375 42729.2578125 126.0907211303711 2558.886474609375 127.00245666503906 1028.7353515625 127.0540771484375 65781.1953125 128.041748046875 171.0006103515625 128.069091796875 20772.58984375 128.11318969726562 330.0064392089844 128.13113403320312 154.035400390625 129.038330078125 187.19032287597656 129.06959533691406 43210.296875 130.07269287109375 3316.08447265625 131.04933166503906 4190.85888671875 131.08534240722656 3362.53076171875 132.0530548095703 219.4433135986328 132.08021545410156 293.8507080078125 133.063720703125 176.10775756835938 133.9990234375 167.38670349121094 134.05999755859375 5515.2333984375 135.00730895996094 13408.10546875 135.0662078857422 911.4774169921875 136.01239013671875 952.0606079101562 136.03639221191406 445.7550964355469 136.0749969482422 3421.38916015625 137.02328491210938 53729.859375 137.45639038085938 153.35714721679688 138.02980041503906 2638.87548828125 138.05435180664062 3217.8642578125 138.08895874023438 303.21630859375 139.0023956298828 3304.951416015625 139.0261993408203 5385.7734375 139.05252075195312 2440.42529296875 140.04055786132812 369.78460693359375 140.0696563720703 1624.0833740234375 141.01808166503906 2767.5009765625 141.06973266601562 11958.0986328125 141.1177520751953 134.5104217529297 142.0494384765625 786.8526000976562 142.0745849609375 871.3900756835938 143.04864501953125 6912.037109375 143.0847625732422 2102.371337890625 144.05810546875 3717.787841796875 145.028076171875 752.595703125 145.06472778320312 136698.328125 145.53648376464844 156.45065307617188 145.54771423339844 189.15890502929688 146.06788635253906 5317.12548828125 147.0076446533203 808.3157958984375 147.04385375976562 9663.583984375 147.0797882080078 5057.06640625 148.04849243164062 527.4628295898438 148.08236694335938 672.4467163085938 148.9866485595703 3347.92431640625 149.0229949951172 1841.2386474609375 149.043701171875 393.7202453613281 150.05418395996094 5409.07177734375 151.002197265625 30158.25390625 151.05650329589844 1877.9256591796875 151.5180206298828 173.97561645507812 152.00955200195312 1641.848388671875 152.0337677001953 6338.04052734375 152.0699462890625 34344.37890625 153.01785278320312 34778.56640625 153.07044982910156 7495.357421875 153.6390380859375 141.03358459472656 153.98922729492188 240.7147979736328 154.02439880371094 1878.2950439453125 154.049560546875 71084.7890625 154.08425903320312 4233.7421875 154.3626251220703 159.63201904296875 154.38246154785156 138.8014678955078 155.04901123046875 105857.109375 155.08499145507812 9502.353515625 155.54013061523438 236.573486328125 156.05947875976562 7546.9130859375 157.0642852783203 36223.33203125 158.07110595703125 2526.892822265625 159.0062255859375 305.0313720703125 159.04432678222656 1257.13720703125 159.08018493652344 19614.150390625 159.1300811767578 211.0467529296875 160.05149841308594 3328.657958984375 160.08433532714844 770.0673217773438 160.98684692382812 310.2517395019531 161.02146911621094 258.87945556640625 161.05892944335938 2138.395263671875 161.09548950195312 140.08445739746094 162.0546417236328 3363.065185546875 163.00242614746094 3587.925048828125 163.06027221679688 1255.2862548828125 164.01072692871094 279.822265625 164.03216552734375 574.0 164.06814575195312 834.3770141601562 165.01744079589844 6688.19091796875 165.03956604003906 1728.782470703125 165.0697479248047 23162.056640625 165.29168701171875 134.50701904296875 165.39479064941406 143.28408813476562 166.024658203125 1733.510498046875 166.04852294921875 2367.226318359375 166.0767364501953 2670.0068359375 166.99673461914062 1198.4822998046875 167.0497589111328 1865.4173583984375 167.08505249023438 13058.009765625 168.0278778076172 210.5104217529297 168.0580291748047 4942.98681640625 168.08627319335938 1298.430908203125 169.01173400878906 687.4293823242188 169.06494140625 13408.169921875 170.0393829345703 493.2241516113281 170.07968139648438 1200.160888671875 170.1025848388672 360.00860595703125 171.0437469482422 29407.861328125 171.07989501953125 10832.923828125 171.4163818359375 173.60975646972656 171.69093322753906 142.42857360839844 171.87646484375 135.0321502685547 172.05072021484375 2877.38330078125 172.08334350585938 809.2666015625 173.02415466308594 339.08685302734375 173.05934143066406 39147.27734375 174.0672607421875 33093.59765625 175.0026092529297 186.11688232421875 175.04049682617188 528.0030517578125 175.07484436035156 13675.169921875 175.1278076171875 148.1163787841797 176.03359985351562 398.36566162109375 176.0626678466797 2104.27001953125 177.01766967773438 685.4007568359375 177.06919860839844 10977.2021484375 178.0496826171875 4033.601318359375 178.0771942138672 5864.96142578125 178.9971466064453 8280.0517578125 179.05740356445312 1939.77880859375 179.08502197265625 13143.28515625 180.00436401367188 131.04244995117188 180.02684020996094 120.39155578613281 180.0653533935547 36232.48828125 180.333984375 199.482666015625 181.01295471191406 6156.87744140625 181.03517150878906 3667.56005859375 181.06480407714844 30784.51171875 182.0186309814453 631.6605834960938 182.0438690185547 597.5236206054688 182.07266235351562 5036.8505859375 182.12179565429688 258.18560791015625 183.0463409423828 1367.7559814453125 183.07977294921875 22046.50390625 183.13296508789062 229.3361053466797 183.89755249023438 134.75347900390625 184.00057983398438 173.08168029785156 184.0521240234375 12386.4150390625 184.1278533935547 134.875 185.02200317382812 140.60975646972656 185.05947875976562 56525.94921875 186.03094482421875 1920.6748046875 186.0664825439453 13648.5341796875 186.1162109375 168.0416717529297 187.00057983398438 286.32000732421875 187.03797912597656 5877.171875 187.07525634765625 82260.8125 188.04652404785156 1431.507080078125 188.07786560058594 3368.546630859375 189.0175018310547 1176.7515869140625 189.06968688964844 10547.3349609375 190.04949951171875 1401.01171875 190.07705688476562 3078.093505859375 190.9965057373047 480.0416564941406 191.05413818359375 1090.1488037109375 191.0860137939453 5982.93701171875 192.00491333007812 347.68603515625 192.02694702148438 367.125 192.05760192871094 2182.76416015625 192.08802795410156 734.7984619140625 193.01031494140625 192.3045196533203 193.03651428222656 1036.3712158203125 193.06442260742188 16083.19140625 193.1394805908203 126.01123809814453 194.0437469482422 759.5907592773438 194.07168579101562 4660.12939453125 195.04464721679688 3378.670654296875 195.0802764892578 49727.8671875 195.492431640625 122.20719146728516 196.05856323242188 5861.611328125 196.08258056640625 4149.3359375 197.01759338378906 186.85345458984375 197.0594482421875 33716.99609375 197.09426879882812 3297.048583984375 198.03024291992188 222.14051818847656 198.07363891601562 10310.1845703125 199.00050354003906 149.36900329589844 199.038818359375 81503.9453125 199.07461547851562 23582.001953125 199.52731323242188 122.0297622680664 199.5596160888672 127.14286041259766 200.0177764892578 129.43289184570312 200.04600524902344 20566.0546875 200.0782928466797 2557.465576171875 200.1352996826172 143.7735137939453 200.6039581298828 187.0801239013672 200.9044189453125 144.3432159423828 201.05438232421875 1273796.625 201.4761962890625 279.6511535644531 201.52012634277344 314.1508483886719 201.6375274658203 217.14883422851562 201.69972229003906 175.71002197265625 201.72653198242188 164.97119140625 201.7430419921875 223.49183654785156 201.7860107421875 238.12448120117188 201.84078979492188 181.69808959960938 201.8771514892578 166.39820861816406 201.9400634765625 165.7035675048828 202.00196838378906 225.7205810546875 202.02389526367188 366.1492919921875 202.05801391601562 55417.41015625 203.0325469970703 326.17498779296875 203.07015991210938 5103.2333984375 203.51638793945312 144.41587829589844 204.03042602539062 185.3469696044922 204.05825805664062 689.547607421875 205.0345916748047 257.0 205.0651397705078 13285.7900390625 205.41244506835938 168.0238494873047 206.0454864501953 1555.65478515625 206.07191467285156 4063.38623046875 206.98959350585938 224.97727966308594 207.04940795898438 765.0083618164062 207.0802459716797 30476.3203125 208.06077575683594 21420.509765625 209.05938720703125 23192.23828125 210.0291290283203 360.2947998046875 210.06703186035156 9185.943359375 210.12353515625 198.29086303710938 211.039306640625 15325.4775390625 211.0753936767578 123162.0078125 212.04638671875 33586.26953125 212.07781982421875 8859.8291015625 212.38072204589844 128.14894104003906 212.81430053710938 125.53164672851562 212.95632934570312 133.0523223876953 213.0542755126953 389365.875 213.49586486816406 133.87417602539062 213.576171875 237.91868591308594 213.5919189453125 135.55213928222656 213.73532104492188 226.88107299804688 213.7583465576172 282.4753723144531 213.80015563964844 120.08333587646484 214.05966186523438 26071.51953125 214.99574279785156 195.7552032470703 215.03550720214844 586.2559814453125 215.06906127929688 2592.7080078125 216.04135131835938 8690.6865234375 217.01226806640625 1137.048828125 217.064697265625 10773.6943359375 218.07192993164062 2160.55859375 219.04209899902344 973.7825927734375 219.07998657226562 7285.3408203125 220.05197143554688 2477.205078125 220.0830841064453 1046.3883056640625 220.1055145263672 370.3090515136719 221.05938720703125 33344.59375 222.06637573242188 5009.0009765625 223.0382537841797 3526.20068359375 223.0752716064453 59073.07421875 223.38108825683594 145.28016662597656 224.04672241210938 8033.85546875 224.0789031982422 3969.953369140625 225.01730346679688 408.5699462890625 225.05421447753906 22529.55078125 225.09007263183594 6882.30224609375 225.15049743652344 173.01785278320312 225.8297882080078 126.34247589111328 226.06417846679688 10207.8671875 227.0330047607422 447.5068664550781 227.06996154785156 32456.435546875 228.0416717529297 570.540771484375 228.07376098632812 2860.156982421875 229.05029296875 19052.3984375 229.08273315429688 3625.322509765625 230.05282592773438 2150.31884765625 230.09034729003906 567.062744140625 230.11749267578125 226.0884552001953 231.06524658203125 7274.52978515625 232.050537109375 526.364013671875 232.06874084472656 758.6614379882812 233.0269775390625 190.66847229003906 233.05946350097656 18509.064453125 233.11813354492188 390.833984375 234.06748962402344 6234.99462890625 234.1269989013672 166.25 235.04177856445312 747.2913208007812 235.07516479492188 68386.140625 235.99362182617188 272.4146423339844 236.04696655273438 6429.3662109375 236.07789611816406 4791.81884765625 236.36427307128906 119.21875 237.05445861816406 50575.734375 237.0872039794922 6634.2822265625 238.0609893798828 9966.107421875 238.122314453125 884.6868896484375 239.03363037109375 24778.35546875 239.0702362060547 143855.265625 239.98855590820312 328.3700866699219 240.04127502441406 38727.7890625 240.0733642578125 14668.2275390625 240.13949584960938 439.8994140625 240.4722900390625 151.06643676757812 241.0491180419922 26470.517578125 241.0819549560547 3164.507080078125 241.37689208984375 218.21542358398438 242.0568389892578 23646.404296875 242.14102172851562 295.30194091796875 243.06344604492188 4776.2412109375 244.05242919921875 439.625 244.06610107421875 530.0202026367188 244.10995483398438 140.180908203125 245.05958557128906 7119.0126953125 246.06626892089844 1032.105712890625 246.08787536621094 504.01763916015625 247.0389404296875 708.2811279296875 247.0750274658203 12733.2626953125 248.04721069335938 3269.3203125 248.0789031982422 981.5333251953125 248.1070556640625 1631.28564453125 249.0541534423828 26906.2578125 249.44454956054688 167.455810546875 250.024658203125 293.96832275390625 250.062255859375 8027.8642578125 250.123291015625 545.47265625 250.5803680419922 146.34246826171875 251.07029724121094 94005.1875 251.61085510253906 128.3086700439453 252.04110717773438 13580.73046875 252.0738525390625 7141.60546875 252.14501953125 164.45558166503906 253.04928588867188 34340.59375 253.08453369140625 9820.61328125 254.05682373046875 26306.884765625 255.0257110595703 395.5795593261719 255.0650177001953 43009.5078125 256.003173828125 251.38523864746094 256.07073974609375 6738.8173828125 256.13409423828125 1329.290771484375 257.0455017089844 3781.927490234375 257.0807800292969 8616.162109375 258.05206298828125 22761.728515625 259.0572204589844 4712.7529296875 259.32940673828125 120.08654022216797 260.04998779296875 1158.5938720703125 260.081787109375 512.1155395507812 260.1048278808594 442.20001220703125 261.05426025390625 27907.05078125 262.060302734375 5180.07177734375 262.1227722167969 424.210693359375 263.0345153808594 1001.8816528320312 263.07000732421875 75417.6015625 264.0414733886719 6838.78564453125 264.0734558105469 5186.54833984375 264.133544921875 324.28271484375 264.8505859375 138.03750610351562 265.0008239746094 261.5921630859375 265.0496826171875 103235.21875 265.6002197265625 133.92453002929688 265.7361755371094 176.7557373046875 265.8274841308594 129.05624389648438 266.0563049316406 23445.26953125 266.11737060546875 2790.174072265625 267.0281677246094 1534.32470703125 267.0647277832031 49899.4921875 267.99212646484375 338.29339599609375 268.0368347167969 128033.0234375 268.745849609375 137.00833129882812 268.87103271484375 128.21920776367188 269.03961181640625 6359.1572265625 269.0804443359375 5159.07666015625 270.05218505859375 15848.1533203125 270.11126708984375 283.4709167480469 271.0587463378906 1607.76025390625 271.101318359375 200.62069702148438 273.05450439453125 5237.2470703125 273.0740051269531 5018.50634765625 274.064208984375 1514.6221923828125 275.0347595214844 489.5063781738281 275.0696105957031 6142.28076171875 276.0426940917969 3063.77978515625 276.1013488769531 2367.787109375 277.048583984375 9154.220703125 277.10546875 551.0084228515625 278.01885986328125 371.1049499511719 278.0570068359375 7432.92236328125 278.1167297363281 826.2311401367188 279.00152587890625 364.3333435058594 279.0650939941406 105434.59375 280.0362548828125 913.0698852539062 280.068603515625 9451.5400390625 280.1335144042969 531.82568359375 280.7950744628906 131.02423095703125 281.04425048828125 12488.6083984375 281.07989501953125 8347.763671875 281.4957275390625 162.18551635742188 282.05010986328125 2575.645263671875 282.0780029296875 1098.16455078125 282.11322021484375 582.9365844726562 283.0601806640625 110710.8671875 283.59161376953125 250.16920471191406 283.6054382324219 215.0085906982422 283.7712097167969 129.81817626953125 283.8497009277344 137.0441131591797 284.0632019042969 8566.2236328125 284.1266174316406 1142.0791015625 284.9993591308594 141.53289794921875 285.0752258300781 7988.4248046875 285.13153076171875 357.756103515625 286.0766296386719 1085.1361083984375 287.0351867675781 620.6890258789062 287.0664367675781 279.18804931640625 287.09466552734375 234.1129608154297 288.0404968261719 153.76388549804688 288.1024475097656 541.5201416015625 289.0490417480469 29455.919921875 289.5478515625 123.95833587646484 290.0557861328125 5592.7294921875 290.1174011230469 1178.8587646484375 291.0047607421875 286.5263977050781 291.02947998046875 883.0452880859375 291.0648498535156 50444.66015625 291.43975830078125 128.81961059570312 291.62420654296875 141.65789794921875 291.85919189453125 140.50416564941406 291.9978332519531 156.8561248779297 292.0362854003906 15240.3857421875 292.0667724609375 6064.86376953125 292.0950012207031 2220.11572265625 293.0436096191406 6456.7958984375 293.0800476074219 4852.10986328125 294.0157470703125 259.19842529296875 294.052001953125 17803.66796875 294.1125183105469 4625.6484375 295.0596618652344 5988.4287109375 295.1155700683594 575.6390991210938 296.0362548828125 132.0673065185547 296.0639343261719 613.9878540039062 296.090087890625 843.773193359375 296.1253967285156 300.03509521484375 296.9473571777344 146.5808868408203 297.0528259277344 219.21621704101562 297.0993957519531 9085.830078125 298.1004943847656 524.44384765625 298.143798828125 132.77049255371094 299.0323181152344 461.3786926269531 299.0525207519531 369.38067626953125 300.0624694824219 131.13157653808594 300.0975341796875 174.09091186523438 301.0489807128906 2826.055908203125 302.0541076660156 216.7909393310547 302.079345703125 311.7065124511719 302.9526062011719 153.28379821777344 303.02734375 1111.4759521484375 303.06512451171875 793.3038940429688 303.0867004394531 872.2454223632812 304.035888671875 1842.94482421875 304.05859375 975.4990844726562 304.0950927734375 1214.240478515625 305.0438232421875 10766.5029296875 306.0186767578125 132.0 306.0513610839844 4158.34619140625 306.11181640625 3275.4453125 307.02362060546875 1446.5859375 307.05999755859375 44194.12109375 308.06671142578125 9874.2001953125 308.1288757324219 525.9592895507812 309.0382995605469 1148.47265625 309.0751953125 10753.2841796875 310.0475769042969 716.6301879882812 310.0769348144531 612.064208984375 310.10498046875 475.4368591308594 311.0552673339844 279.8173828125 311.1064453125 175.11111450195312 312.122314453125 4005.185546875 313.072021484375 355.2222900390625 313.125 520.7531127929688 314.0975341796875 178.78369140625 314.63458251953125 268.75 315.02191162109375 271.7955017089844 315.0655822753906 158.20118713378906 315.1119384765625 255.0163116455078 316.03521728515625 273.8394470214844 316.096435546875 1207.4332275390625 316.7605285644531 228.0026092529297 317.0436706542969 11394.310546875 317.103271484375 297.90130615234375 318.0528564453125 2137.549072265625 318.1134948730469 928.4683837890625 319.0238952636719 496.13043212890625 319.0601501464844 21494.83984375 319.4588317871094 127.84500122070312 319.514404296875 128.84375 320.03106689453125 11858.759765625 320.05908203125 3845.68701171875 321.03924560546875 5799.21875 321.0984191894531 909.938720703125 322.047119140625 30456.51953125 323.0522155761719 4460.0625 324.0821228027344 855.9484252929688 324.119384765625 455.9535217285156 324.1435546875 193.6409149169922 325.07171630859375 420.3629150390625 327.0296325683594 297.89013671875 328.0925598144531 157.39520263671875 329.04302978515625 850.90087890625 330.0158386230469 474.0851135253906 330.0706481933594 264.3738098144531 331.1346130371094 151.123291015625 332.0530090332031 1191.0052490234375 332.0888977050781 620.7954711914062 333.0388488769531 1013.1453247070312 334.0465393066406 1474.4866943359375 334.068359375 710.8765258789062 334.10687255859375 2316.048095703125 335.05462646484375 20982.2265625 335.1557312011719 133.41421508789062 336.0582580566406 1882.685302734375 337.0709228515625 8179.6005859375 338.04132080078125 391.9515686035156 338.0744934082031 697.8048095703125 342.0473937988281 193.25283813476562 344.02862548828125 153.0718536376953 344.0918884277344 776.0606079101562 345.0393981933594 2664.0771484375 345.0924987792969 164.26666259765625 346.0462341308594 475.2808837890625 346.07061767578125 853.6922607421875 347.05718994140625 7960.083984375 347.99609375 266.42156982421875 348.0256042480469 4026.739013671875 348.0821228027344 1176.755615234375 349.03192138671875 391.18072509765625 350.041748046875 73742.9921875 350.4409484863281 121.20915985107422 350.6615905761719 135.5806427001953 350.7250061035156 119.08654022216797 350.98590087890625 123.41447448730469 351.0452575683594 7119.54931640625 351.1174011230469 237.19068908691406 351.52020263671875 132.30813598632812 352.0531921386719 304.004638671875 352.0790100097656 564.1168212890625 352.115234375 414.71533203125 353.0631408691406 452.8519287109375 356.04901123046875 312.27032470703125 356.0924377441406 119.36161041259766 358.0704345703125 159.34405517578125 360.05804443359375 316.1801452636719 360.0830078125 225.62890625 361.05853271484375 609.376220703125 362.0448303222656 210.76136779785156 362.10089111328125 1044.3009033203125 363.04986572265625 7502.9921875 364.05120849609375 686.0853271484375 364.0799255371094 354.6099853515625 364.1193542480469 204.22288513183594 365.0658264160156 8216.6142578125 366.0696105957031 599.7777709960938 366.28216552734375 145.67140197753906 372.0870056152344 225.8817138671875 373.088623046875 197.1884002685547 374.066162109375 522.19921875 375.07330322265625 798.451416015625 376.0813903808594 3770.13623046875 377.0840759277344 170.21365356445312 378.0588073730469 245.38204956054688 380.1089782714844 274.2903137207031 381.055908203125 135.72727966308594 382.9291687011719 134.21127319335938 388.7397155761719 192.7232208251953 390.0921936035156 300.1025085449219 391.10211181640625 289.2344970703125 393.0904846191406 221.55567932128906 395.1541748046875 193.6914825439453 426.12060546875 214.8235321044922 471.4711608886719 271.625 786.4321899414062 255.59637451171875 1172.021484375 135.0801239013672 1252.030029296875 138.40310668945312 1466.09326171875 157.16346740722656 1553.135009765625 134.19668579101562 END IONS BEGIN IONS TITLE=CCMSLIB00005723227 PEPMASS=835.554179 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=20.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_A8_Dirithromycin.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Dirithromycin_20eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed 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]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@H]([C@H]2C)[C@]1(C)O INCHI=InChI=1S/C42H78N2O14/c1-15-29-42(10,49)37-24(4)32(43-30(56-37)21-52-17-16-50-13)22(2)19-40(8,48)36(58-39-33(45)28(44(11)12)18-23(3)53-39)25(5)34(26(6)38(47)55-29)57-31-20-41(9,51-14)35(46)27(7)54-31/h22-37,39,43,45-46,48-49H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,30-,31+,32+,33-,34+,35+,36-,37-,39+,40-,41-,42-/m1/s1 INCHIAUX=WLOHNSSYAXHWNR-DWIOZXRMSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723227 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723227 SCANS=177672 50.89808654785156 189.24073791503906 55.054386138916016 2969.760009765625 57.05763244628906 920.9132080078125 57.069175720214844 320.406982421875 57.69846725463867 169.2964324951172 58.02930450439453 211.24072265625 58.0657958984375 458.06964111328125 59.049400329589844 861.3118286132812 59.31361389160156 221.21893310546875 65.13224029541016 190.30584716796875 68.04936981201172 207.0 69.03392028808594 264.875 69.06917572021484 197.0342254638672 70.06521606445312 288.7431335449219 71.0841293334961 169.8095245361328 71.92658996582031 192.24752807617188 72.0809326171875 14703.8984375 73.05207824707031 366.0801696777344 73.06473541259766 652.755126953125 77.03873443603516 326.4629211425781 77.05952453613281 397.2552490234375 81.06843566894531 339.3384094238281 83.04927825927734 55815.79296875 84.05179595947266 320.0736083984375 84.0803451538086 777.3427734375 84.29362487792969 232.11669921875 84.78218841552734 255.22752380371094 85.02819061279297 223.8651123046875 86.06035614013672 785.716064453125 87.0436019897461 3176.201416015625 88.07555389404297 655.9505004882812 89.05980682373047 510.2449951171875 94.06522369384766 199.36996459960938 95.04871368408203 326.0272216796875 95.08563995361328 264.6044921875 98.09640502929688 10834.3916015625 98.25154113769531 181.30715942382812 99.07975006103516 1817.473876953125 99.10253143310547 395.0196228027344 100.0756607055664 1472.8829345703125 100.1117172241211 593.0895385742188 101.08377838134766 246.4580078125 108.07886505126953 205.22250366210938 109.0636215209961 469.751708984375 113.05907440185547 4000.156982421875 113.09383392333984 194.07180786132812 114.0904769897461 952.212890625 115.03742218017578 255.14166259765625 115.07533264160156 9749.1083984375 116.0702896118164 12765.1572265625 116.10690307617188 93094.65625 117.11011505126953 1555.2491455078125 118.0857162475586 333.8242492675781 120.10205078125 1147.146728515625 121.10118103027344 291.4876403808594 127.07476806640625 12159.3017578125 130.0847625732422 201.3012237548828 139.11123657226562 270.0723571777344 140.10736083984375 309.9754943847656 142.4663543701172 180.00961303710938 143.1058349609375 405.45880126953125 144.1004180908203 305.7709655761719 146.11647033691406 354.7890930175781 149.09388732910156 169.9608154296875 153.08900451660156 219.23635864257812 155.10545349121094 200.04110717773438 156.1024627685547 174.8205108642578 158.11749267578125 285622.28125 158.53976440429688 176.7538604736328 158.7240447998047 169.38278198242188 159.1018829345703 1071.4285888671875 159.12025451660156 6225.81689453125 160.13172912597656 327.10748291015625 165.12936401367188 274.3058166503906 172.13113403320312 254.71530151367188 176.1273193359375 1289.4825439453125 177.13050842285156 454.09735107421875 187.0941925048828 223.48599243164062 195.1372833251953 1582.4266357421875 197.23980712890625 179.88461303710938 212.1627960205078 245.72727966308594 214.14500427246094 431.4989013671875 223.13063049316406 578.8285522460938 232.3790283203125 180.06793212890625 235.16737365722656 250.53509521484375 238.17697143554688 199.5267333984375 240.19602966308594 360.8590087890625 241.1533203125 253.90963745117188 246.14535522460938 233.76181030273438 254.1744842529297 441.5294189453125 258.1687927246094 278.5714416503906 272.1858215332031 1198.654296875 274.2008056640625 661.802490234375 276.1789245605469 332.62744140625 278.1918640136719 284.25634765625 284.1842346191406 508.06219482421875 286.1983642578125 196.927978515625 289.3540344238281 189.80064392089844 298.2371520996094 167.5398406982422 316.21148681640625 5698.759765625 317.21624755859375 302.2363586425781 324.2157287597656 366.9955139160156 340.213623046875 540.4640502929688 342.22589111328125 469.0764465332031 349.22705078125 262.3770446777344 360.2356262207031 386.6277160644531 382.2886047363281 189.04937744140625 383.24267578125 303.3035583496094 402.252685546875 169.2114715576172 416.26434326171875 1484.1834716796875 426.28240966796875 219.84698486328125 443.31292724609375 265.75811767578125 466.3155212402344 447.1271057128906 484.32666015625 4759.3798828125 485.33038330078125 314.3438720703125 486.3430480957031 300.4033203125 497.32843017578125 195.88665771484375 502.3372497558594 5349.92333984375 503.3438415527344 476.7981872558594 517.3460083007812 366.25 518.33447265625 173.64706420898438 520.3475341796875 25894.244140625 520.490478515625 187.0800018310547 521.3517456054688 1858.6964111328125 540.3516845703125 1266.272705078125 542.3668823242188 370.5020446777344 550.3546752929688 178.28302001953125 558.3649291992188 5409.134765625 559.3973388671875 313.9754333496094 574.36572265625 224.1488037109375 583.3946533203125 730.615966796875 601.40625 981.77783203125 625.6510009765625 200.68809509277344 641.4358520507812 2686.0068359375 642.420166015625 1025.4656982421875 643.4231567382812 244.32969665527344 643.4525756835938 275.0440673828125 659.296630859375 248.0848388671875 659.4474487304688 61111.859375 660.4489135742188 9471.1923828125 661.4650268554688 856.0508422851562 662.4735107421875 185.188232421875 675.44287109375 4872.42919921875 675.982177734375 167.93951416015625 676.4496459960938 506.19805908203125 677.4586791992188 1409278.5 678.25244140625 303.0738830566406 678.3368530273438 541.1892700195312 678.4614868164062 179533.203125 679.203857421875 272.5771484375 679.4444580078125 3642.567626953125 679.5699462890625 164.59458923339844 680.0311889648438 164.4840087890625 680.154296875 171.81500244140625 680.2237548828125 196.18685913085938 685.4496459960938 221.94183349609375 688.4313354492188 252.84548950195312 703.4727172851562 1955.9228515625 704.4761962890625 510.6791076660156 708.4624633789062 186.68817138671875 716.4569091796875 1188.5548095703125 720.45458984375 583.3005981445312 759.5003662109375 273.5976257324219 803.5261840820312 2918.153076171875 804.52490234375 839.9774169921875 817.5418090820312 6970.759765625 818.54443359375 1126.8919677734375 834.7600708007812 216.32000732421875 834.8975830078125 199.8941192626953 835.0972290039062 230.87757873535156 835.247314453125 327.996337890625 835.55322265625 1698001.25 836.4248046875 518.0298461914062 836.5563354492188 258311.875 837.448486328125 235.70179748535156 837.5734252929688 209.41558837890625 837.6782836914062 234.80345153808594 838.1691284179688 249.16282653808594 838.2662963867188 251.49913024902344 839.2101440429688 166.59439086914062 1145.3466796875 212.24569702148438 1318.970458984375 185.75294494628906 1978.487060546875 221.76942443847656 END IONS BEGIN IONS TITLE=CCMSLIB00005723228 PEPMASS=835.554179 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=40.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_A8_Dirithromycin.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Dirithromycin_40eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed 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]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@H]([C@H]2C)[C@]1(C)O INCHI=InChI=1S/C42H78N2O14/c1-15-29-42(10,49)37-24(4)32(43-30(56-37)21-52-17-16-50-13)22(2)19-40(8,48)36(58-39-33(45)28(44(11)12)18-23(3)53-39)25(5)34(26(6)38(47)55-29)57-31-20-41(9,51-14)35(46)27(7)54-31/h22-37,39,43,45-46,48-49H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,30-,31+,32+,33-,34+,35+,36-,37-,39+,40-,41-,42-/m1/s1 INCHIAUX=WLOHNSSYAXHWNR-DWIOZXRMSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723228 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723228 SCANS=178005 53.03900909423828 296.6330261230469 55.01814270019531 563.3466186523438 55.04165267944336 193.26658630371094 55.05442810058594 11571.5810546875 56.04967498779297 974.9810791015625 57.03380584716797 1630.9642333984375 57.05831527709961 2495.6806640625 58.02812194824219 213.3520965576172 58.06523895263672 3134.078369140625 59.04956817626953 8488.6337890625 61.028446197509766 229.76010131835938 65.0385513305664 261.3265686035156 67.05430603027344 444.484375 69.03460693359375 307.01922607421875 69.07026672363281 2492.154296875 70.06535339355469 2676.150390625 71.0493392944336 1080.183349609375 71.07219696044922 236.74575805664062 71.08546447753906 2782.200439453125 72.08101654052734 76142.234375 72.30437469482422 154.08474731445312 73.0526123046875 677.6861572265625 73.06423950195312 2985.212890625 73.08399963378906 724.834716796875 77.03368377685547 187.17233276367188 77.05956268310547 1382.15234375 79.05365753173828 391.4691467285156 81.06991577148438 5270.3984375 82.04082489013672 207.94485473632812 82.06559753417969 1439.62890625 83.0491943359375 514603.625 83.33003234863281 261.5732116699219 84.05265808105469 7683.9296875 84.0805892944336 3249.38671875 85.0284423828125 2724.851318359375 85.0653305053711 1193.1259765625 86.05999755859375 2498.88623046875 87.04423522949219 14673.787109375 87.07887268066406 888.8844604492188 88.04682922363281 227.84666442871094 88.07573699951172 9404.7861328125 89.06001281738281 4810.8037109375 93.06863403320312 191.38250732421875 95.04865264892578 2024.310791015625 95.08517456054688 1431.4185791015625 96.08074188232422 250.00833129882812 97.02542114257812 254.0672149658203 97.06472778320312 2371.41796875 97.1015396118164 283.86968994140625 98.05941009521484 488.407958984375 98.09646606445312 86087.5 99.08048248291016 9181.4873046875 99.10169982910156 3524.074462890625 100.07566833496094 12162.013671875 100.11289978027344 1020.8299560546875 100.75157928466797 185.59417724609375 101.06085205078125 181.58680725097656 101.08165740966797 657.7853393554688 103.07608795166016 300.38970947265625 103.40280151367188 180.6447296142578 105.0697021484375 250.2427215576172 107.08467864990234 681.8985595703125 109.06468200683594 2562.0478515625 109.10091400146484 1389.24072265625 110.09536743164062 209.54444885253906 111.04334259033203 211.15126037597656 111.08004760742188 815.6793823242188 111.11622619628906 437.0325622558594 113.05936431884766 46028.8046875 114.06465911865234 1434.6558837890625 114.09101867675781 9792.783203125 114.27615356445312 198.98109436035156 115.07537841796875 33633.2890625 116.07062530517578 103762.578125 116.10667419433594 675229.625 116.42706298828125 242.97372436523438 116.4574966430664 149.22816467285156 116.47393798828125 169.19998168945312 116.49938201904297 195.75042724609375 116.58877563476562 157.2302703857422 116.62385559082031 176.7109375 117.073974609375 2101.090576171875 117.11026000976562 11067.6328125 117.1543197631836 188.94117736816406 118.0711669921875 256.93450927734375 118.0860595703125 8995.9033203125 118.51484680175781 155.77687072753906 119.0688705444336 230.0625 119.08531188964844 712.6566772460938 120.08759307861328 334.1953430175781 120.10176849365234 10998.9404296875 120.14360046386719 161.03221130371094 121.101318359375 3838.34130859375 123.08036804199219 1261.0660400390625 123.11605072021484 528.8526611328125 125.09608459472656 2184.789794921875 127.07508850097656 29604.40625 128.07852172851562 1572.4476318359375 128.10650634765625 1370.7894287109375 130.0858917236328 717.79638671875 132.10060119628906 287.97296142578125 133.0858917236328 331.42242431640625 133.10179138183594 297.4880676269531 134.0947723388672 325.9480285644531 135.07997131347656 420.0502624511719 135.11676025390625 522.4378662109375 136.91346740722656 184.1745147705078 137.0599365234375 297.51751708984375 137.09576416015625 2608.026123046875 138.0945587158203 393.4482727050781 139.07530212402344 170.35955810546875 139.11097717285156 1345.198486328125 140.10659790039062 3098.66552734375 141.08978271484375 224.5625 142.1221466064453 480.2299499511719 143.1060028076172 1200.2198486328125 144.10296630859375 348.3055419921875 145.1009063720703 255.41587829589844 146.11795043945312 441.73785400390625 147.08038330078125 235.12875366210938 147.11582946777344 318.1453552246094 149.0955810546875 757.404541015625 149.13255310058594 978.7703857421875 150.131103515625 371.48486328125 151.07577514648438 210.00628662109375 151.11204528808594 405.6578674316406 151.1475830078125 148.5601806640625 153.0904998779297 4437.8125 154.09327697753906 160.67605590820312 155.10723876953125 1223.5789794921875 156.10162353515625 1110.34912109375 157.1197052001953 184.78125 158.1175994873047 1472792.125 158.5214080810547 306.9492492675781 158.572021484375 246.8650360107422 158.59283447265625 156.28408813476562 158.63406372070312 378.8961486816406 158.6958465576172 160.57635498046875 158.7383270263672 178.06817626953125 158.8519744873047 169.7244873046875 158.90789794921875 276.4078369140625 158.93606567382812 327.5209655761719 158.95457458496094 238.6626434326172 159.12075805664062 38407.19140625 160.1326446533203 1198.78564453125 161.1322784423828 796.660400390625 162.12615966796875 453.8014831542969 163.1121063232422 152.01612854003906 163.14785766601562 310.187255859375 164.14280700683594 165.77688598632812 165.0922088623047 914.4260864257812 165.1270751953125 193.08737182617188 167.10594177246094 2568.84765625 167.14151000976562 666.3809204101562 168.13868713378906 174.78512573242188 170.1173553466797 380.3143005371094 171.1019287109375 519.410400390625 172.1328582763672 2865.02734375 174.1124725341797 592.6621704101562 175.09776306152344 219.0032958984375 175.1138458251953 155.9619598388672 176.1275634765625 8211.4111328125 177.1273651123047 3754.0263671875 178.1265411376953 446.0301818847656 179.10694885253906 178.08642578125 179.14389038085938 954.5623779296875 181.12326049804688 269.25640869140625 183.1012725830078 3501.8671875 184.10081481933594 704.33056640625 185.11647033691406 160.8867950439453 186.112060546875 3157.671875 187.0945281982422 213.85841369628906 187.11366271972656 265.90777587890625 189.1636505126953 562.1873168945312 195.13796997070312 10249.1796875 196.1361083984375 887.3676147460938 197.1769561767578 196.5098114013672 198.14857482910156 409.4814758300781 199.112060546875 228.4379119873047 200.13914489746094 307.47198486328125 200.16209411621094 446.4720458984375 205.12078857421875 732.208251953125 205.15750122070312 228.45779418945312 207.1360626220703 194.9097900390625 208.13284301757812 363.63519287109375 210.1481475830078 2619.056396484375 211.15594482421875 685.6589965820312 212.1653289794922 3276.375244140625 214.14346313476562 2752.318359375 216.1386260986328 235.8947296142578 216.1562042236328 999.467529296875 217.15963745117188 393.8959045410156 218.1616973876953 152.11363220214844 219.17349243164062 171.24697875976562 222.1459197998047 333.6094055175781 223.1330108642578 6398.25439453125 223.7343292236328 208.24899291992188 224.13644409179688 363.8758544921875 225.14895629882812 233.77822875976562 226.18032836914062 381.5684509277344 227.12588500976562 239.60044860839844 227.13941955566406 156.08888244628906 228.1576385498047 364.4903869628906 229.10633850097656 162.4297637939453 229.14071655273438 459.58489990234375 233.1517333984375 255.90008544921875 235.1673583984375 580.8095703125 238.1785888671875 1847.388916015625 239.125244140625 193.11160278320312 240.15830993652344 559.4129638671875 240.19532775878906 3377.400146484375 241.1433868408203 2549.71826171875 242.17173767089844 179.32102966308594 244.19195556640625 348.00140380859375 245.18600463867188 175.22500610351562 246.15060424804688 191.92333984375 246.1695556640625 552.59375 246.94134521484375 219.03509521484375 248.1641845703125 214.92161560058594 250.1789093017578 186.18605041503906 254.17491149902344 4185.71630859375 255.15623474121094 288.2045593261719 256.1907958984375 275.00299072265625 257.19158935546875 173.6704559326172 258.16815185546875 903.6276245117188 258.2074890136719 209.08221435546875 262.19976806640625 216.21951293945312 264.1565246582031 166.89256286621094 266.1703186035156 176.7521209716797 268.18951416015625 765.3704833984375 272.1853942871094 7913.3935546875 273.18798828125 216.4044952392578 274.1623229980469 308.41510009765625 274.2014465332031 967.5204467773438 275.1976623535156 445.361572265625 277.2126159667969 177.94541931152344 278.20941162109375 604.3551025390625 280.19036865234375 171.90245056152344 282.1678161621094 295.20660400390625 282.20599365234375 562.075439453125 284.1839599609375 272.01806640625 286.20147705078125 793.0010375976562 291.19482421875 681.2272338867188 296.1927185058594 178.6895751953125 296.22235107421875 237.36505126953125 297.22149658203125 227.2067108154297 298.1965026855469 200.03460693359375 298.23846435546875 1148.022216796875 300.1805725097656 264.95867919921875 308.18255615234375 233.77186584472656 313.218505859375 169.729736328125 314.23260498046875 219.44642639160156 322.1982116699219 438.2109680175781 324.21649169921875 1753.4462890625 324.2503356933594 373.7875061035156 325.2178039550781 311.8520812988281 328.20941162109375 267.46710205078125 336.2505798339844 162.4297637939453 340.21148681640625 5079.515625 341.2149963378906 258.12249755859375 342.22784423828125 10418.7734375 343.2313232421875 534.8627319335938 344.2073669433594 650.6080322265625 344.24285888671875 263.0416564941406 345.2462158203125 175.29762268066406 346.27374267578125 376.1505432128906 347.22601318359375 260.5 348.25250244140625 221.00054931640625 349.23828125 206.0208282470703 354.2626953125 169.49134826660156 358.2215270996094 1819.98291015625 360.2373962402344 1200.000732421875 361.2425842285156 208.0204620361328 362.2142028808594 160.86045837402344 364.2849426269531 485.5 365.2306213378906 1546.8697509765625 366.2342529296875 405.04595947265625 366.26226806640625 821.00146484375 367.2481994628906 1647.9400634765625 368.2521667480469 212.69882202148438 370.2252502441406 176.57064819335938 370.2580261230469 474.0716247558594 382.29461669921875 685.5374145507812 383.2420654296875 852.1963500976562 383.29583740234375 162.32183837890625 384.27166748046875 730.7659301757812 386.2509460449219 152.1531219482422 390.2633056640625 659.0480346679688 392.2779541015625 256.5283508300781 398.2555847167969 172.85833740234375 402.2860107421875 530.1266479492188 408.273681640625 1370.693359375 416.2643127441406 7628.04248046875 417.26641845703125 1160.531494140625 422.3193664550781 234.5603485107422 426.2834777832031 3302.185546875 432.2989807128906 430.1088562011719 443.31097412109375 251.41603088378906 444.2947082519531 619.1290283203125 448.3048095703125 790.5619506835938 454.2794494628906 179.50701904296875 458.3445739746094 219.24270629882812 466.3168029785156 9323.755859375 467.3199462890625 946.7659301757812 468.33123779296875 387.5940246582031 471.34307861328125 179.1643829345703 484.3270263671875 34386.703125 485.3308410644531 3260.5478515625 486.3416442871094 2288.193359375 487.3505859375 259.5872802734375 489.34063720703125 232.66897583007812 497.3217468261719 395.07269287109375 498.30548095703125 168.48155212402344 499.3339538574219 218.41015625 500.3236999511719 476.5072326660156 502.33740234375 32979.59765625 503.3402099609375 4336.076171875 504.3505859375 284.76470947265625 505.3531494140625 173.16050720214844 506.3422546386719 216.2359619140625 510.3399353027344 384.57470703125 514.3404541015625 154.14825439453125 515.3334350585938 2100.005615234375 516.3316040039062 153.7111053466797 517.348876953125 4022.831298828125 517.9725341796875 195.281982421875 518.3432006835938 867.2695922851562 520.2639770507812 221.93817138671875 520.348388671875 96345.5390625 521.3516235351562 8214.013671875 523.3699951171875 171.05796813964844 524.3570556640625 153.2655029296875 525.3521728515625 167.8164825439453 528.3504638671875 299.5806579589844 530.3333740234375 510.20294189453125 532.3070678710938 163.1445770263672 532.3470458984375 334.63519287109375 533.344482421875 332.91705322265625 540.3523559570312 2340.669921875 541.3833618164062 1208.5460205078125 542.365966796875 812.5186767578125 543.3621215820312 371.3743591308594 546.3619384765625 357.07159423828125 548.3402099609375 646.5601806640625 550.3564453125 664.64501953125 558.36328125 11266.7080078125 559.3654174804688 1191.556884765625 559.3919677734375 1418.591796875 560.37890625 645.0014038085938 562.3580932617188 318.8817138671875 565.3858032226562 1070.7103271484375 566.3778686523438 192.0016632080078 583.39501953125 4373.41162109375 584.3968505859375 708.8934936523438 601.40625 1350.63623046875 602.4070434570312 480.125 614.3858032226562 373.2180480957031 623.42626953125 905.3550415039062 626.627685546875 207.99546813964844 632.4025268554688 171.92276000976562 639.416015625 261.17266845703125 641.4369506835938 10579.8486328125 642.4264526367188 2513.698974609375 643.4288940429688 416.07440185546875 644.4471435546875 261.6285705566406 657.4267578125 469.31195068359375 659.0652465820312 157.13636779785156 659.2869873046875 159.00186157226562 659.4484252929688 167057.59375 660.4505004882812 21125.642578125 660.55419921875 486.0951232910156 661.4600219726562 687.2964477539062 675.441162109375 4490.5380859375 676.4481201171875 575.8195190429688 676.5150756835938 220.01785278320312 677.4586791992188 594810.3125 678.2659912109375 310.23077392578125 678.4614868164062 65540.3984375 678.935546875 276.6132507324219 678.95947265625 189.30819702148438 679.06982421875 238.74107360839844 679.1173095703125 209.93479919433594 679.17919921875 359.3846130371094 679.2866821289062 198.64105224609375 679.3785400390625 202.1357879638672 679.444091796875 1633.612548828125 679.5480346679688 182.7180633544922 680.203125 205.0641326904297 685.4620971679688 1358.1649169921875 686.4655151367188 240.64210510253906 703.4735107421875 6605.54541015625 704.474853515625 1065.7313232421875 716.4588012695312 786.7174072265625 720.447265625 326.7784118652344 741.491943359375 376.0044250488281 759.4984130859375 846.8458862304688 760.4949951171875 150.3993377685547 785.5177001953125 440.14129638671875 799.5274658203125 271.3600158691406 803.528076171875 2031.395263671875 804.5281982421875 426.2493591308594 817.5418701171875 5190.94384765625 818.542236328125 897.8834838867188 835.5523681640625 30232.453125 836.5551147460938 4858.337890625 862.4620361328125 203.07691955566406 1373.8782958984375 260.44451904296875 1784.2313232421875 270.413330078125 END IONS BEGIN IONS TITLE=CCMSLIB00005723229 PEPMASS=835.554179 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=50.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_A8_Dirithromycin.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Dirithromycin_50eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed 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]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@H]([C@H]2C)[C@]1(C)O INCHI=InChI=1S/C42H78N2O14/c1-15-29-42(10,49)37-24(4)32(43-30(56-37)21-52-17-16-50-13)22(2)19-40(8,48)36(58-39-33(45)28(44(11)12)18-23(3)53-39)25(5)34(26(6)38(47)55-29)57-31-20-41(9,51-14)35(46)27(7)54-31/h22-37,39,43,45-46,48-49H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,30-,31+,32+,33-,34+,35+,36-,37-,39+,40-,41-,42-/m1/s1 INCHIAUX=WLOHNSSYAXHWNR-DWIOZXRMSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723229 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723229 SCANS=178337 53.03881072998047 980.0025634765625 54.033790588378906 196.671875 55.01826477050781 406.625 55.05434799194336 24599.9375 55.08384704589844 366.6576232910156 56.051292419433594 1250.4073486328125 57.033504486083984 5074.45068359375 57.05740737915039 5229.2578125 57.06966018676758 2500.972900390625 57.1529426574707 186.2331085205078 58.06522750854492 6675.4365234375 59.049461364746094 25916.6640625 60.05302047729492 151.0625 61.028564453125 1302.3267822265625 61.63889694213867 146.4976043701172 62.033164978027344 191.3913116455078 67.05390167236328 1093.861572265625 68.04978942871094 698.775634765625 69.03363037109375 1043.853271484375 69.07015228271484 5840.1162109375 70.06537628173828 3474.271728515625 71.04926300048828 3307.236328125 71.07275390625 2137.667724609375 71.08499908447266 3287.33349609375 72.04475402832031 767.047607421875 72.08068084716797 187197.984375 72.40409088134766 214.56930541992188 72.44951629638672 167.90602111816406 73.05233001708984 1615.9395751953125 73.06474304199219 4447.9951171875 73.08368682861328 2035.331298828125 74.03705596923828 149.9918212890625 74.05916595458984 348.5610656738281 75.04397583007812 600.0987548828125 77.03990936279297 284.7643127441406 77.05967712402344 741.2461547851562 78.0331802368164 161.85134887695312 79.05436706542969 1365.30859375 80.04805755615234 148.125 81.0698013305664 7972.14111328125 82.06561279296875 4433.361328125 82.84211730957031 268.2782287597656 82.87884521484375 189.8954620361328 83.04914855957031 751867.75 83.38629150390625 180.8468780517578 83.39595031738281 179.4757537841797 83.41465759277344 181.99449157714844 83.47259521484375 169.86373901367188 83.73668670654297 149.0015869140625 84.05252075195312 11429.919921875 84.08094024658203 8418.845703125 85.0284194946289 4958.87158203125 85.06470489501953 1823.705810546875 86.05986785888672 6193.1162109375 86.09606170654297 1222.1806640625 86.58946990966797 188.69903564453125 87.02351379394531 239.3712615966797 87.0439682006836 34132.16015625 87.0810317993164 1559.2236328125 88.04740905761719 646.0400390625 88.0757064819336 25775.54296875 89.05928802490234 7204.51953125 90.06140899658203 348.0237121582031 91.05426788330078 298.8787841796875 93.06950378417969 812.5490112304688 94.0650634765625 1480.888671875 95.04900360107422 3933.513916015625 95.08512878417969 1121.06201171875 96.02669525146484 268.2077941894531 96.05206298828125 193.92857360839844 96.08052825927734 981.0499877929688 97.0350341796875 261.75 97.06471252441406 5848.30029296875 97.10160827636719 594.4727172851562 98.06031799316406 1879.122802734375 98.09671020507812 150675.6875 98.38442993164062 236.0767822265625 98.44840240478516 142.83676147460938 99.0438003540039 602.552001953125 99.08023071289062 11240.8955078125 99.10274505615234 7196.4365234375 100.07549285888672 24744.4375 100.11416625976562 531.6354370117188 101.05872344970703 559.96923828125 101.08267974853516 1552.181396484375 103.07487487792969 186.10726928710938 105.0689468383789 515.9645385742188 107.08491516113281 2779.880126953125 108.0807113647461 391.0879211425781 109.06436920166016 7514.54150390625 109.10118865966797 2591.652587890625 110.0986099243164 949.1235961914062 111.0804672241211 1305.2801513671875 111.11738586425781 1161.3560791015625 112.07662963867188 139.5173797607422 112.11186218261719 435.75933837890625 113.03787994384766 404.0408630371094 113.05955505371094 72226.8515625 114.06295013427734 498.5555419921875 114.0910415649414 21524.599609375 115.07528686523438 30199.0078125 116.07038879394531 236061.34375 116.10661315917969 764063.3125 116.4567642211914 227.13511657714844 116.47259521484375 287.9886169433594 116.55352783203125 207.875 116.64693450927734 153.05715942382812 116.72258758544922 245.015625 116.76634216308594 175.540283203125 117.07386779785156 3538.2548828125 117.11016082763672 13264.1630859375 118.08599090576172 12169.359375 118.13948822021484 162.52174377441406 119.06953430175781 203.2045440673828 119.08567810058594 1562.1558837890625 120.07886505126953 141.64706420898438 120.10172271728516 11888.6708984375 120.14501190185547 140.39613342285156 120.2364730834961 173.1204833984375 121.06488800048828 230.19520568847656 121.10092163085938 10347.7646484375 122.10162353515625 920.0977783203125 123.08002471923828 2925.510986328125 123.11661529541016 3926.127197265625 124.07499694824219 401.3158874511719 125.09577941894531 4350.6044921875 126.05358123779297 1055.2244873046875 126.10018920898438 440.3069763183594 127.07508850097656 26269.78515625 127.10943603515625 1331.183837890625 127.16790008544922 149.6297607421875 127.25630950927734 137.1041717529297 128.07748413085938 912.6508178710938 128.10633850097656 2906.4013671875 130.0857696533203 1731.9307861328125 132.0648956298828 379.22723388671875 132.101318359375 958.2864990234375 133.10076904296875 769.7410888671875 134.09690856933594 408.3396301269531 135.1167449951172 1398.302978515625 136.07554626464844 337.3081359863281 136.1129150390625 495.4066467285156 137.095947265625 6378.67431640625 138.09616088867188 212.6007080078125 138.12815856933594 509.29998779296875 139.07566833496094 662.2646484375 139.11155700683594 1917.0682373046875 140.10670471191406 4663.125 141.05361938476562 322.3143615722656 141.0895233154297 239.03810119628906 141.11080932617188 220.11224365234375 142.12200927734375 242.2156524658203 143.1068572998047 1962.8531494140625 144.1004638671875 181.34130859375 145.10195922851562 522.183837890625 146.11663818359375 558.0720825195312 147.0786590576172 589.1142578125 147.11355590820312 275.5178527832031 148.0961151123047 335.979736328125 148.10745239257812 223.20082092285156 149.09561157226562 1985.3951416015625 149.13320922851562 2676.779296875 149.25942993164062 158.2345733642578 151.07470703125 254.0031280517578 151.1113739013672 944.5787963867188 151.14691162109375 827.5717163085938 152.07302856445312 573.0335693359375 152.11441040039062 146.01051330566406 153.09066772460938 4662.9365234375 154.09226989746094 281.1732177734375 154.1219024658203 944.2327270507812 155.1070556640625 1931.9356689453125 155.14193725585938 156.99197387695312 156.1011962890625 637.0614013671875 157.08572387695312 238.2278289794922 158.11753845214844 1358736.875 158.4762420654297 308.63287353515625 158.52894592285156 292.4025573730469 158.59776306152344 252.9346923828125 158.64016723632812 490.4944152832031 158.6990203857422 404.6767272949219 158.7262725830078 209.1689910888672 158.74635314941406 228.477294921875 158.81739807128906 176.4627227783203 158.8350372314453 161.3525848388672 158.90040588378906 176.4353790283203 158.97279357910156 214.46324157714844 159.1006622314453 1251.44189453125 159.12039184570312 31003.310546875 159.34893798828125 187.8131561279297 160.1331024169922 1738.8330078125 161.09600830078125 263.0133972167969 161.132080078125 2588.671875 162.1123809814453 206.95294189453125 162.1265411376953 892.3333129882812 163.11203002929688 480.0174560546875 163.14315795898438 281.2991943359375 164.1428985595703 147.59756469726562 165.09104919433594 1881.236083984375 165.12660217285156 427.52557373046875 167.10633850097656 6728.98583984375 167.14137268066406 1025.0675048828125 168.10098266601562 171.11764526367188 168.13829040527344 545.8181762695312 169.08338928222656 385.7601318359375 169.1212158203125 182.875 170.08995056152344 194.01470947265625 170.1168975830078 1871.12548828125 171.10145568847656 1328.75390625 172.10475158691406 244.32687377929688 172.13267517089844 4399.455078125 173.13587951660156 310.7304382324219 175.1461944580078 151.22903442382812 176.12728881835938 8370.9541015625 177.09104919433594 303.3196716308594 177.12704467773438 6001.09130859375 178.12603759765625 573.137451171875 178.15902709960938 295.0023193359375 179.10626220703125 256.2359924316406 179.14329528808594 1714.9403076171875 180.1419219970703 838.3558959960938 181.12100219726562 360.1499328613281 181.15866088867188 231.17233276367188 182.1173553466797 560.12255859375 183.1012725830078 4237.61962890625 183.13937377929688 324.3088073730469 184.0963592529297 700.920654296875 184.1314239501953 482.67926025390625 184.16871643066406 187.4107208251953 185.11720275878906 845.39453125 186.11233520507812 4666.083984375 186.14804077148438 321.36724853515625 187.10829162597656 193.44444274902344 188.16236877441406 154.8125 189.1256103515625 170.096435546875 189.1645050048828 460.5262145996094 191.13987731933594 245.74221801757812 191.1787109375 352.51519775390625 192.17579650878906 306.001708984375 193.12066650390625 625.0650634765625 193.13803100585938 338.0249938964844 194.11705017089844 185.64312744140625 194.1560516357422 166.49024963378906 195.13766479492188 11748.62890625 196.13551330566406 2042.5679931640625 197.15269470214844 149.32102966308594 198.14930725097656 1353.9371337890625 199.148681640625 363.84747314453125 200.161376953125 381.015869140625 202.1437225341797 300.6327209472656 203.10549926757812 140.59609985351562 203.17752075195312 289.723388671875 204.16085815429688 154.15576171875 205.12149047851562 1998.2950439453125 205.15383911132812 266.01220703125 206.11814880371094 256.48187255859375 206.15321350097656 144.06585693359375 207.13600158691406 947.7699584960938 207.17514038085938 275.5674743652344 208.1307830810547 524.0867309570312 209.11846923828125 151.87905883789062 209.1396942138672 715.5693359375 210.14859008789062 3774.175048828125 211.1536102294922 1225.9019775390625 212.12725830078125 182.18017578125 212.1638946533203 5728.71240234375 213.14761352539062 319.9168395996094 213.16775512695312 614.420166015625 214.1438751220703 3702.05908203125 215.1462860107422 234.66575622558594 216.16151428222656 706.6129150390625 217.15968322753906 575.3605346679688 219.1726531982422 191.00608825683594 220.13064575195312 164.313720703125 220.1716766357422 420.22674560546875 221.15567016601562 236.6055450439453 222.18653869628906 288.9834899902344 223.13255310058594 10720.5498046875 224.1361541748047 420.3047180175781 224.15911865234375 228.1607208251953 225.150146484375 270.85137939453125 226.1783447265625 180.55111694335938 227.1297149658203 446.9757995605469 228.15802001953125 419.2608642578125 229.14100646972656 333.4378662109375 229.1559295654297 239.36294555664062 229.18994140625 180.97259521484375 235.1696014404297 909.1112060546875 236.16180419921875 185.4792938232422 237.14529418945312 144.1624298095703 238.17982482910156 3984.0927734375 239.18251037597656 197.10227966308594 240.15689086914062 538.1315307617188 240.1956024169922 4066.294921875 241.14279174804688 3927.698486328125 242.17543029785156 418.0553894042969 243.13922119140625 197.29112243652344 243.17218017578125 168.08653259277344 245.1540069580078 156.60357666015625 245.18560791015625 211.76979064941406 246.16732788085938 251.39697265625 246.1825408935547 317.9656066894531 247.2041473388672 335.5018005371094 248.1616668701172 227.5157928466797 250.17916870117188 156.04017639160156 251.16329956054688 256.6777038574219 252.15756225585938 227.98245239257812 254.17538452148438 7164.53564453125 255.17877197265625 492.7224426269531 256.1900634765625 1693.5875244140625 257.1882629394531 197.90737915039062 258.1690368652344 856.0924682617188 258.2142639160156 174.87930297851562 260.1806335449219 178.52072143554688 260.1975402832031 143.64566040039062 260.23846435546875 159.66748046875 263.1640319824219 199.9423065185547 264.1588134765625 789.08154296875 265.1686706542969 209.881103515625 265.2127685546875 168.44500732421875 266.1734924316406 200.06666564941406 266.20965576171875 182.12359619140625 268.1889953613281 1528.0709228515625 268.2225036621094 230.80328369140625 269.1919250488281 165.44619750976562 269.22198486328125 190.0801239013672 272.1856689453125 7144.22314453125 273.1868591308594 773.331298828125 274.1984558105469 876.873046875 274.2315979003906 318.9184875488281 276.1800231933594 452.6499938964844 278.2026672363281 433.4766845703125 279.1585998535156 146.48147583007812 280.2275085449219 629.5447998046875 282.16912841796875 461.08929443359375 284.1844177246094 376.039794921875 286.2032165527344 266.8571472167969 287.19915771484375 249.8596954345703 289.25341796875 198.51625061035156 291.197509765625 180.77883911132812 294.2022399902344 289.781494140625 295.64117431640625 189.21621704101562 296.2220458984375 1124.2554931640625 297.1860656738281 152.2466278076172 297.223876953125 169.3333282470703 298.2378845214844 2271.98291015625 299.2365417480469 255.2562255859375 302.1741638183594 225.6896514892578 302.1982421875 282.0024719238281 303.23114013671875 275.12799072265625 306.2427978515625 293.4721374511719 307.1917724609375 196.3378448486328 312.2162170410156 156.14083862304688 314.2320861816406 190.64002990722656 322.2028503417969 724.3734741210938 324.2168884277344 3373.763916015625 324.4519958496094 189.32070922851562 325.2168884277344 299.31298828125 328.20867919921875 186.30697631835938 329.2650451660156 236.5026092529297 336.2495422363281 367.02044677734375 340.2122802734375 6860.83251953125 341.21923828125 215.36012268066406 342.22735595703125 10979.19140625 343.23046875 250.92889404296875 344.20697021484375 689.7574462890625 344.2411804199219 920.778076171875 346.26861572265625 264.910888671875 348.25506591796875 202.56044006347656 349.2348327636719 375.99420166015625 350.24053955078125 165.94564819335938 351.2301940917969 244.02117919921875 354.2653503417969 179.72665405273438 358.2215270996094 3551.6142578125 359.2254638671875 198.63636779785156 360.2377014160156 3447.408203125 364.2842712402344 1391.479248046875 365.2314453125 1083.9478759765625 366.2327880859375 211.56060791015625 366.2622985839844 602.4568481445312 367.2511291503906 431.2064514160156 368.24041748046875 150.7355499267578 370.2618408203125 572.6039428710938 380.2826232910156 147.7959747314453 382.2962951660156 930.3179321289062 383.2967529296875 143.6768035888672 384.2742614746094 1178.756591796875 390.26385498046875 1062.3927001953125 392.2751159667969 162.0634307861328 395.29046630859375 376.9120788574219 396.2352600097656 304.3100891113281 396.27349853515625 219.4379119873047 402.28656005859375 913.5136108398438 404.32037353515625 223.1191864013672 408.2738342285156 2674.173828125 410.29150390625 269.34814453125 414.2806396484375 364.9592590332031 416.26373291015625 2689.75390625 417.2657775878906 192.3266143798828 422.3234558105469 498.7676086425781 424.26727294921875 198.8277587890625 426.2846984863281 2650.00439453125 427.2950744628906 201.71604919433594 439.201171875 265.0 440.33551025390625 209.82882690429688 443.31005859375 308.2344970703125 444.2964172363281 772.9210205078125 448.30340576171875 419.9534606933594 454.2774658203125 143.14999389648438 457.28680419921875 161.41587829589844 465.29254150390625 201.00271606445312 466.31646728515625 6469.435546875 467.32086181640625 578.8491821289062 468.3320617675781 205.959716796875 482.3053894042969 284.0433044433594 484.3269958496094 26110.126953125 485.0055236816406 193.57870483398438 485.3309020996094 2984.13623046875 486.3416748046875 919.6273803710938 498.302978515625 255.53260803222656 499.3435974121094 252.0118408203125 500.31634521484375 336.7071228027344 502.3373107910156 18681.34765625 502.4286804199219 157.0657958984375 503.34063720703125 1146.8006591796875 504.35308837890625 702.0098266601562 506.3485412597656 157.5614471435547 510.33892822265625 363.0958251953125 515.3338623046875 1017.8963623046875 517.3467407226562 4201.2587890625 518.3349609375 720.49609375 520.3480224609375 41774.8984375 521.350830078125 3267.303466796875 523.3750610351562 191.11363220214844 526.3624877929688 152.5625 530.3317260742188 381.62005615234375 532.3451538085938 207.00872802734375 533.334716796875 363.0357666015625 540.3500366210938 374.61175537109375 541.3818359375 204.8298797607422 542.3656616210938 272.45001220703125 546.3621215820312 486.78289794921875 548.353515625 415.7317810058594 550.3641967773438 380.4445495605469 555.360107421875 171.53543090820312 557.8804931640625 190.15383911132812 558.3640747070312 1767.0296630859375 559.3892211914062 497.9833679199219 560.3911743164062 149.43055725097656 562.3597412109375 521.203369140625 565.3850708007812 691.7221069335938 566.3662109375 307.8656005859375 583.3954467773438 2262.019287109375 584.3922729492188 149.6328125 596.3827514648438 165.0459747314453 601.4019165039062 251.4224090576172 602.3865356445312 158.36363220214844 610.3857421875 323.0392150878906 614.3909912109375 286.53570556640625 623.42578125 564.0865478515625 641.437255859375 3306.238037109375 642.4334716796875 1049.242431640625 657.4310302734375 261.114501953125 659.4474487304688 41577.79296875 659.8236083984375 174.00128173828125 660.4506225585938 4316.23974609375 661.463134765625 140.1938018798828 675.43896484375 713.9256591796875 677.3516845703125 179.59396362304688 677.4586791992188 51714.07421875 678.1111450195312 236.32791137695312 678.4606323242188 6548.9482421875 678.55517578125 158.22361755371094 685.4647216796875 786.211669921875 703.4729614257812 1398.81396484375 704.478271484375 222.5377960205078 732.8622436523438 266.75 759.5015869140625 305.5556335449219 765.7007446289062 264.0 799.52197265625 240.84500122070312 803.5308227539062 523.4121704101562 817.5406494140625 1429.420654296875 818.5404663085938 238.58026123046875 835.5530395507812 1596.9927978515625 836.5538330078125 347.756103515625 1351.7332763671875 177.61798095703125 1616.35107421875 261.25 1682.044189453125 141.36029052734375 1940.7449951171875 257.565185546875 END IONS BEGIN IONS TITLE=CCMSLIB00005723230 PEPMASS=921.499015 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=20.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_A9_Doramectin.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Doramectin_20eV [M+Na]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=C[C@H]1/C=C/C=C/2\CO[C@H]3[C@@]2([C@@H](C=C([C@H]3O)C)C(=O)O[C@H]4C[C@@H](C/C=C(/[C@H]1O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O)OC)OC)\C)O[C@]7(C4)C=C[C@@H]([C@H](O7)C8CCCCC8)C)O INCHI=InChI=1S/C50H74O14/c1-27-13-12-16-34-26-57-47-42(51)30(4)21-37(50(34,47)54)48(53)60-36-22-35(63-49(25-36)20-19-29(3)45(64-49)33-14-10-9-11-15-33)18-17-28(2)44(27)61-41-24-39(56-8)46(32(6)59-41)62-40-23-38(55-7)43(52)31(5)58-40/h12-13,16-17,19-21,27,29,31-33,35-47,51-52,54H,9-11,14-15,18,22-26H2,1-8H3/b13-12+,28-17+,34-16+/t27-,29-,31-,32-,35+,36-,37-,38-,39-,40-,41-,42+,43-,44-,45-,46-,47+,49+,50+/m0/s1 INCHIAUX=QLFZZSKTJWDQOS-YDBLARSUSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723230 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723230 SCANS=361549 79.05419921875 188.7070770263672 113.05977630615234 661.54345703125 115.06600189208984 255.66403198242188 123.08084869384766 203.02052307128906 135.03939819335938 397.862548828125 139.0718536376953 238.97943115234375 149.13201904296875 244.3350830078125 150.13560485839844 285.3251953125 151.0723419189453 673.7982177734375 153.05136108398438 837.2018432617188 154.060791015625 391.09033203125 159.07662963867188 226.8235321044922 167.0664520263672 281.5714416503906 173.05892944335938 313.6368103027344 177.1267852783203 449.1374816894531 183.0624542236328 1775.47314453125 184.0733642578125 311.1418762207031 185.078857421875 505.5556335449219 195.1370849609375 876.4916381835938 217.11849975585938 1306.53466796875 219.17404174804688 308.8383483886719 220.1744842529297 196.8979949951172 233.57809448242188 174.72003173828125 237.32814025878906 258.98492431640625 239.08912658691406 195.10382080078125 240.1119842529297 674.11767578125 257.11383056640625 339.1407470703125 258.84393310546875 254.52261352539062 269.1354675292969 181.19512939453125 281.1361999511719 246.8027801513672 305.171630859375 620.1773071289062 311.1449279785156 1120.575439453125 311.1749267578125 181.40740966796875 327.1407775878906 306.0375671386719 329.15478515625 304.1779479980469 335.1986083984375 302.20184326171875 353.2085876464844 2007.6302490234375 354.2098693847656 305.5535583496094 377.2082824707031 414.4615478515625 378.88946533203125 204.0150909423828 389.33526611328125 255.2268524169922 395.2037048339844 362.2839660644531 440.73504638671875 230.20249938964844 447.1956787109375 326.9221496582031 449.2530212402344 2402.69873046875 450.25360107421875 229.10227966308594 481.2575988769531 504.7514953613281 487.2465515136719 192.9678955078125 497.2511291503906 599.328857421875 505.28961181640625 289.0016174316406 521.2874145507812 757.9453125 531.2720947265625 194.1666717529297 533.2743530273438 171.31968688964844 535.3179321289062 210.24264526367188 553.3295288085938 361.7575988769531 555.3389282226562 300.8444519042969 559.2867431640625 334.0449523925781 571.33935546875 497.006591796875 579.3076782226562 511.38531494140625 583.2850341796875 164.3877716064453 615.33251953125 452.2965393066406 632.3300170898438 183.382080078125 633.338623046875 956.6946411132812 641.3313598632812 1276.2828369140625 642.380615234375 184.57647705078125 647.3538818359375 175.17442321777344 665.3659057617188 912.336669921875 665.404541015625 288.8500061035156 697.40869140625 271.37371826171875 715.4218139648438 848.1844482421875 727.3668212890625 167.32894897460938 747.40673828125 234.5622100830078 777.3274536132812 206.1011199951172 777.420654296875 9342.16015625 778.4197998046875 926.7902221679688 809.4179077148438 212.74404907226562 859.4959716796875 2732.01904296875 860.5057983398438 253.63140869140625 903.486083984375 978.1707153320312 920.7058715820312 208.32005310058594 920.7959594726562 170.007568359375 920.9988403320312 1282.27294921875 921.1720581054688 178.1632843017578 921.49853515625 1649977.625 922.501953125 278605.0625 923.4014282226562 211.42730712890625 923.545166015625 195.20285034179688 923.6282958984375 223.38026428222656 923.732666015625 216.0773162841797 923.8517456054688 167.20872497558594 923.9674682617188 384.5068664550781 924.0298461914062 255.07786560058594 924.0709228515625 237.3031768798828 924.1568603515625 272.7690124511719 924.7141723632812 173.2085418701172 924.8097534179688 174.16477966308594 924.8933715820312 343.3614501953125 925.1805419921875 203.18182373046875 925.5980224609375 165.3194580078125 940.4371337890625 169.9204559326172 END IONS BEGIN IONS TITLE=CCMSLIB00005723231 PEPMASS=921.499015 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=40.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_A9_Doramectin.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Doramectin_40eV [M+Na]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=C[C@H]1/C=C/C=C/2\CO[C@H]3[C@@]2([C@@H](C=C([C@H]3O)C)C(=O)O[C@H]4C[C@@H](C/C=C(/[C@H]1O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O)OC)OC)\C)O[C@]7(C4)C=C[C@@H]([C@H](O7)C8CCCCC8)C)O INCHI=InChI=1S/C50H74O14/c1-27-13-12-16-34-26-57-47-42(51)30(4)21-37(50(34,47)54)48(53)60-36-22-35(63-49(25-36)20-19-29(3)45(64-49)33-14-10-9-11-15-33)18-17-28(2)44(27)61-41-24-39(56-8)46(32(6)59-41)62-40-23-38(55-7)43(52)31(5)58-40/h12-13,16-17,19-21,27,29,31-33,35-47,51-52,54H,9-11,14-15,18,22-26H2,1-8H3/b13-12+,28-17+,34-16+/t27-,29-,31-,32-,35+,36-,37-,38-,39-,40-,41-,42+,43-,44-,45-,46-,47+,49+,50+/m0/s1 INCHIAUX=QLFZZSKTJWDQOS-YDBLARSUSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723231 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723231 SCANS=361881 59.04957962036133 207.00082397460938 61.039058685302734 268.6172180175781 69.03396606445312 356.38409423828125 72.03263854980469 255.1311492919922 77.05974578857422 141.28741455078125 80.02312469482422 118.0850830078125 81.06954193115234 447.7207336425781 82.07382202148438 257.1176452636719 85.06598663330078 144.668212890625 93.03137969970703 180.10345458984375 93.06920623779297 553.1395874023438 95.08599853515625 155.32012939453125 99.08106994628906 120.29878234863281 107.08496856689453 515.4517822265625 108.98992156982422 142.06617736816406 109.02572631835938 369.022216796875 109.06251525878906 851.651611328125 109.10225677490234 182.16824340820312 110.0704574584961 448.1071472167969 113.05917358398438 1037.6656494140625 115.07473754882812 156.02125549316406 115.72169494628906 234.0 120.0526351928711 164.45785522460938 121.06271362304688 293.9664306640625 121.10131072998047 530.8721923828125 122.07062530517578 185.4971923828125 125.02063751220703 332.010986328125 125.05583953857422 137.51437377929688 130.03807067871094 168.9274139404297 131.0459747314453 356.1358642578125 133.06161499023438 267.0135192871094 135.04132080078125 1087.14990234375 135.0804901123047 198.55587768554688 135.11692810058594 125.88480377197266 139.0725860595703 4727.11328125 145.08526611328125 951.9584350585938 149.0563201904297 226.23635864257812 149.13211059570312 2064.459228515625 151.03514099121094 365.7759704589844 151.0733642578125 1367.21044921875 153.05224609375 3128.637451171875 154.05792236328125 627.4401245117188 155.0664520263672 146.5294189453125 156.08526611328125 156.77589416503906 159.07957458496094 181.02867126464844 159.11636352539062 293.23040771484375 161.09324645996094 219.7229766845703 164.0438232421875 259.02960205078125 167.06813049316406 2094.904296875 168.0738067626953 297.551513671875 169.04739379882812 224.36842346191406 169.08303833007812 177.92599487304688 173.05789184570312 350.3811950683594 177.12579345703125 640.0487670898438 178.13143920898438 307.6805419921875 179.07009887695312 145.35508728027344 179.1438751220703 174.28675842285156 183.06259155273438 10775.12109375 184.06887817382812 897.3673706054688 185.0552215576172 172.86154174804688 185.0775909423828 1060.4464111328125 191.031494140625 273.8626708984375 191.06983947753906 203.00833129882812 195.1373748779297 526.6832275390625 196.14112854003906 161.84507751464844 197.0924530029297 159.20570373535156 207.0954132080078 157.5 217.11988830566406 7017.74609375 218.12124633789062 210.40301513671875 219.17340087890625 569.0117797851562 221.1175994873047 191.05357360839844 222.1023406982422 189.68515014648438 223.1101837158203 274.9204406738281 225.10934448242188 1113.328369140625 239.12644958496094 279.4854431152344 240.0765838623047 195.87757873535156 240.1114044189453 4170.0498046875 241.11776733398438 1008.2008056640625 243.06851196289062 154.14404296875 251.12452697753906 439.5651550292969 253.10020446777344 209.97540283203125 254.11048889160156 248.72979736328125 256.1435852050781 128.3975372314453 257.11572265625 2286.6484375 259.105712890625 116.09091186523438 267.05438232421875 121.48760986328125 269.1379699707031 165.10964965820312 271.13427734375 206.18560791015625 271.46173095703125 242.93426513671875 275.1781921386719 118.14925384521484 281.1343078613281 842.3200073242188 283.09368896484375 331.9415588378906 283.1485290527344 240.57876586914062 285.10888671875 312.6329040527344 287.1239318847656 185.26657104492188 295.1510925292969 507.11724853515625 297.1295166015625 155.80596923828125 301.1042785644531 1431.3065185546875 302.41632080078125 127.49024963378906 303.120361328125 534.7969970703125 305.1721496582031 2574.258544921875 306.1308288574219 141.7846221923828 307.1195068359375 121.03947448730469 307.1646728515625 359.7779541015625 309.1437072753906 684.1593017578125 311.1474609375 4367.11474609375 317.20758056640625 131.0634307861328 319.2022705078125 299.30450439453125 321.6592102050781 142.9705810546875 324.2453308105469 206.01162719726562 325.21551513671875 256.3674011230469 327.1410217285156 1240.1568603515625 328.15960693359375 146.67361450195312 329.15789794921875 2781.11376953125 335.1611328125 748.7426147460938 335.19879150390625 1537.67138671875 336.2044677734375 353.9300537109375 337.1754150390625 468.38726806640625 337.2147521972656 171.0928955078125 338.21630859375 150.6297607421875 339.6833801269531 262.5989074707031 343.1954345703125 142.25527954101562 347.14849853515625 148.5625 352.15887451171875 137.3392791748047 353.1373596191406 308.6428527832031 353.172119140625 1985.4324951171875 353.2094421386719 13350.3056640625 354.21075439453125 893.5235595703125 355.22125244140625 267.07757568359375 359.20001220703125 928.68310546875 361.2113342285156 331.6872863769531 362.21990966796875 191.8351287841797 363.1933288574219 187.98541259765625 367.26495361328125 151.40652465820312 371.18304443359375 123.49156188964844 377.2079772949219 3387.205078125 381.2391357421875 123.6009292602539 385.1988830566406 744.811279296875 389.1244812011719 164.6691131591797 395.20556640625 2673.936767578125 396.2088928222656 206.71702575683594 397.2021484375 363.3160400390625 398.16888427734375 137.1519775390625 415.1712341308594 301.9417724609375 415.2063903808594 187.4215545654297 421.20135498046875 241.85263061523438 425.2172546386719 169.243896484375 429.184326171875 445.059326171875 431.2092590332031 145.1351318359375 439.2093200683594 745.9615478515625 440.2128601074219 208.28408813476562 441.236328125 227.1728515625 442.23919677734375 127.38568115234375 443.2602233886719 169.9204559326172 447.1988525390625 188.49440002441406 449.2515869140625 20735.474609375 450.25616455078125 1587.5289306640625 451.2420349121094 120.625 455.24078369140625 629.8032836914062 459.2521667480469 155.913818359375 460.2568359375 117.21146392822266 463.228759765625 1624.1097412109375 469.2676086425781 134.39613342285156 479.2435302734375 741.2596435546875 481.2560119628906 4920.29150390625 482.259765625 259.1404113769531 489.2918395996094 160.0111083984375 495.3237609863281 118.18695068359375 497.2518310546875 4243.08349609375 498.255126953125 248.70416259765625 498.3013916015625 145.05296325683594 499.3025207519531 450.5389709472656 500.32989501953125 136.31640625 503.2763977050781 932.1015625 505.2900695800781 212.141357421875 517.3031005859375 158.5216064453125 521.2549438476562 226.1359100341797 521.2879028320312 4604.38818359375 522.28955078125 491.9806213378906 529.2796630859375 921.4507446289062 533.1646728515625 173.4857177734375 535.3176879882812 1278.88037109375 537.2510375976562 146.72845458984375 537.333740234375 533.5557250976562 539.3010864257812 246.6768035888672 541.2743530273438 475.3310546875 544.2623901367188 136.72579956054688 547.2884521484375 263.7363586425781 553.3305053710938 933.3203125 555.3472290039062 679.2539672851562 556.35009765625 135.654541015625 556.4708862304688 205.01406860351562 559.2504272460938 140.6666717529297 559.2879638671875 873.8134765625 565.2832641601562 211.78890991210938 571.33935546875 2214.726318359375 572.3408813476562 320.3358459472656 575.28125 812.042236328125 575.3264770507812 153.23077392578125 583.2879028320312 757.820556640625 585.3053588867188 153.0314483642578 589.3480834960938 353.4308166503906 591.2767944335938 148.55714416503906 596.3275756835938 166.8941192626953 597.3167114257812 794.034912109375 599.316650390625 818.2001342773438 603.329833984375 241.92250061035156 604.3363037109375 254.0037841796875 614.3163452148438 169.0047149658203 615.328857421875 2295.917236328125 617.3466796875 317.6734924316406 618.3367919921875 224.0218505859375 622.3046875 151.34722900390625 623.3209228515625 553.626708984375 624.3615112304688 475.40863037109375 631.3203125 141.53125 632.3287353515625 469.54638671875 633.3397216796875 9335.341796875 634.344482421875 1283.525390625 641.3298950195312 8753.5185546875 642.331787109375 1161.258056640625 642.369384765625 412.1797790527344 644.3787841796875 161.2057647705078 647.3541870117188 860.8546752929688 648.3568115234375 146.805419921875 649.3716430664062 396.6294250488281 650.3720703125 146.3712158203125 659.3414306640625 127.00123596191406 665.3279418945312 826.1844482421875 665.3666381835938 10030.8974609375 666.367431640625 1808.698974609375 679.3405151367188 135.75625610351562 681.3600463867188 221.06509399414062 683.3734130859375 489.15625 685.3553466796875 498.3890075683594 685.4027709960938 123.63333129882812 688.4207763671875 255.0225067138672 697.40869140625 1100.953125 699.3606567382812 117.49662017822266 703.3230590820312 215.03408813476562 709.3580932617188 136.71673583984375 715.4176025390625 4982.93505859375 716.4218139648438 983.012451171875 727.3676147460938 2657.591796875 728.3695678710938 429.2473449707031 733.426025390625 159.73500061035156 747.409423828125 1222.14892578125 748.4060668945312 213.74668884277344 759.4080200195312 819.16650390625 760.40966796875 119.17500305175781 769.4205322265625 149.1632843017578 771.4237670898438 222.42230224609375 777.4194946289062 77988.1796875 778.4225463867188 10054.2705078125 778.9373779296875 152.15846252441406 789.9915771484375 435.7347717285156 793.448974609375 585.0347900390625 794.451171875 198.62229919433594 797.3801879882812 229.011474609375 809.4057006835938 2052.002197265625 810.406982421875 144.55682373046875 811.4594116210938 331.8918151855469 831.4917602539062 175.2563934326172 841.4857788085938 2300.91162109375 842.4793701171875 155.08900451660156 842.510498046875 199.2855987548828 859.49658203125 21559.0703125 860.5015258789062 4045.3642578125 875.5009765625 170.80247497558594 877.5109252929688 910.3485107421875 878.5171508789062 130.32203674316406 885.47607421875 335.6624450683594 894.4689331054688 131.59315490722656 903.4271240234375 155.63043212890625 903.4871826171875 3662.634765625 904.4861450195312 407.059326171875 920.4127807617188 225.8930206298828 920.5352172851562 126.05769348144531 921.0872802734375 133.51055908203125 921.160400390625 316.60345458984375 921.4983520507812 1184664.125 922.5025024414062 183099.03125 923.4140014648438 379.83056640625 923.6973876953125 218.23260498046875 923.74658203125 127.60952758789062 923.8148803710938 203.340087890625 923.8893432617188 355.0299377441406 924.0457763671875 141.42091369628906 924.116455078125 160.7844696044922 924.3131713867188 165.50750732421875 932.4795532226562 123.67500305175781 1336.22412109375 126.50694274902344 1621.3382568359375 133.56105041503906 END IONS BEGIN IONS TITLE=CCMSLIB00005723232 PEPMASS=921.499015 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=50.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_A9_Doramectin.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Doramectin_50eV [M+Na]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=C[C@H]1/C=C/C=C/2\CO[C@H]3[C@@]2([C@@H](C=C([C@H]3O)C)C(=O)O[C@H]4C[C@@H](C/C=C(/[C@H]1O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O)OC)OC)\C)O[C@]7(C4)C=C[C@@H]([C@H](O7)C8CCCCC8)C)O INCHI=InChI=1S/C50H74O14/c1-27-13-12-16-34-26-57-47-42(51)30(4)21-37(50(34,47)54)48(53)60-36-22-35(63-49(25-36)20-19-29(3)45(64-49)33-14-10-9-11-15-33)18-17-28(2)44(27)61-41-24-39(56-8)46(32(6)59-41)62-40-23-38(55-7)43(52)31(5)58-40/h12-13,16-17,19-21,27,29,31-33,35-47,51-52,54H,9-11,14-15,18,22-26H2,1-8H3/b13-12+,28-17+,34-16+/t27-,29-,31-,32-,35+,36-,37-,38-,39-,40-,41-,42+,43-,44-,45-,46-,47+,49+,50+/m0/s1 INCHIAUX=QLFZZSKTJWDQOS-YDBLARSUSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723232 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723232 SCANS=362213 55.01727294921875 203.18446350097656 59.04963302612305 370.3161315917969 64.8013687133789 72.5 65.01958465576172 197.38461303710938 66.00817108154297 327.6499938964844 67.01533508300781 170.35565185546875 67.0541763305664 434.5956115722656 68.99393463134766 150.3993377685547 69.03380584716797 1276.6629638671875 69.06986236572266 268.6816711425781 71.04827880859375 215.985107421875 73.06536865234375 477.8961181640625 74.77229309082031 69.03511047363281 79.01506805419922 179.9140167236328 79.05381774902344 244.32574462890625 80.02346801757812 430.6718444824219 81.07003784179688 289.4579162597656 82.03878784179688 190.00277709960938 83.08432006835938 213.17774963378906 85.02930450439453 328.32232666015625 85.06433868408203 175.39096069335938 87.04464721679688 365.5556335449219 91.05297088623047 310.0422058105469 92.0224838256836 98.13298034667969 93.01480102539062 69.13157653808594 93.07011413574219 871.2744750976562 95.010498046875 445.20123291015625 95.04923248291016 1216.240478515625 95.0859603881836 713.1264038085938 97.06429290771484 765.2386474609375 98.067626953125 248.28269958496094 99.080322265625 784.3469848632812 103.0537109375 190.32467651367188 105.07024383544922 148.10345458984375 106.07359313964844 262.7954406738281 107.0840072631836 194.12010192871094 108.05384826660156 129.125 109.02596282958984 476.4411315917969 109.06282043457031 1133.592529296875 109.10089111328125 972.018310546875 110.07038879394531 1949.3609619140625 110.97346496582031 88.76818084716797 111.04292297363281 306.1367492675781 111.07303619384766 254.63682556152344 113.05911254882812 3624.126220703125 115.07470703125 146.12960815429688 117.06988525390625 266.4418640136719 119.08506774902344 250.22962951660156 120.05621337890625 278.6820068359375 121.06211853027344 996.1527099609375 121.10138702392578 829.1497192382812 123.07884979248047 380.8026428222656 124.96846008300781 159.22500610351562 125.02025604248047 1561.2158203125 125.05680084228516 435.00885009765625 125.09159851074219 97.19757843017578 127.07511901855469 227.8225860595703 129.39736938476562 232.53408813476562 130.0380401611328 93.6598129272461 131.0464324951172 532.5700073242188 131.0851287841797 103.71102142333984 132.0543670654297 667.82373046875 133.10064697265625 483.47491455078125 134.03184509277344 119.71154022216797 135.0408477783203 2778.876953125 135.07797241210938 120.53917694091797 135.11537170410156 505.2998046875 136.04574584960938 90.26470947265625 137.0581512451172 682.140625 137.09524536132812 445.07501220703125 138.06468200683594 209.1513214111328 138.6730194091797 134.5102081298828 139.0725860595703 7690.9482421875 139.1160888671875 59.20000076293945 140.0441131591797 82.3313980102539 140.07838439941406 554.375 143.08360290527344 154.0172576904297 145.06375122070312 193.0327606201172 145.0860595703125 1786.2486572265625 147.04132080078125 377.43316650390625 148.0489044189453 65.875 149.0574188232422 1243.794677734375 149.13299560546875 3796.44140625 150.0626983642578 73.625 151.03662109375 1153.2113037109375 151.0727996826172 6716.578125 151.12159729003906 67.01249694824219 152.07443237304688 181.04891967773438 152.81353759765625 67.11637878417969 153.0037078857422 96.8890151977539 153.0520782470703 7617.80419921875 153.1030731201172 80.11148834228516 154.05929565429688 2323.92919921875 154.1724395751953 68.27173614501953 155.06700134277344 102.30357360839844 155.084228515625 154.00320434570312 155.97792053222656 125.05327606201172 156.09475708007812 257.9605407714844 159.08062744140625 494.2495422363281 159.11703491210938 790.9338989257812 161.12997436523438 152.67111206054688 162.88018798828125 85.46944427490234 163.1486053466797 259.32232666015625 167.06805419921875 5438.69677734375 167.93734741210938 150.7916717529297 168.0768280029297 447.7565002441406 169.0463104248047 230.45799255371094 169.08204650878906 312.21539306640625 169.1025390625 108.20689392089844 170.0490264892578 243.9031982421875 173.05694580078125 2094.31689453125 174.06289672851562 139.17361450195312 175.06871032714844 133.45069885253906 176.08192443847656 212.5465087890625 177.12716674804688 1718.0135498046875 178.1357421875 161.00103759765625 179.06822204589844 282.6331481933594 181.04644775390625 90.88480377197266 181.07696533203125 133.06314086914062 182.10723876953125 172.3614501953125 183.04066467285156 312.0184326171875 183.0629425048828 25822.75390625 183.4168701171875 85.49385070800781 184.07028198242188 2755.568603515625 185.07858276367188 3740.361572265625 185.54583740234375 59.08012771606445 187.0719451904297 265.6687927246094 188.1162109375 59.58064651489258 189.0525360107422 269.8929443359375 190.58233642578125 113.26667022705078 192.03965759277344 281.6090087890625 195.03152465820312 73.1191177368164 195.13926696777344 716.1451416015625 195.16751098632812 76.125 196.08041381835938 78.15921020507812 197.078369140625 78.01786041259766 199.03042602539062 131.372802734375 200.0799102783203 212.0284881591797 201.0868377685547 170.87767028808594 201.12564086914062 62.28166580200195 201.1626434326172 318.8994140625 205.03025817871094 140.03688049316406 209.15184020996094 137.96022033691406 211.07232666015625 1393.8619384765625 212.08079528808594 564.0011596679688 213.0816192626953 98.19047546386719 217.07888793945312 116.69999694824219 217.1200714111328 16376.7607421875 218.1223602294922 938.4225463867188 219.1005859375 61.09375 219.17449951171875 1451.33984375 225.08969116210938 143.125 225.11099243164062 2586.988525390625 226.08180236816406 65.96052551269531 226.1165008544922 214.45924377441406 227.14175415039062 104.41666412353516 229.04884338378906 147.33749389648438 229.0829315185547 60.531864166259766 229.15573120117188 83.38021087646484 233.08224487304688 84.66666412353516 235.09921264648438 205.6923065185547 237.0875244140625 174.7111053466797 237.1216583251953 213.68601989746094 239.0905303955078 1339.5240478515625 240.0851593017578 96.96195983886719 240.11245727539062 16142.4228515625 240.4040069580078 69.96052551269531 241.03494262695312 62.80277633666992 241.0853729248047 132.41326904296875 241.11912536621094 3594.987548828125 241.15347290039062 423.1772766113281 242.1221160888672 103.00147247314453 243.06600952148438 177.0124969482422 243.09744262695312 170.85333251953125 243.1356658935547 86.91129302978516 247.16900634765625 338.3422546386719 251.12600708007812 2813.840087890625 251.17697143554688 223.3773193359375 252.1298370361328 117.11206817626953 253.1070556640625 801.6333618164062 253.15447998046875 185.015380859375 255.1036834716797 121.89798736572266 255.14968872070312 77.25714111328125 256.1408996582031 115.02349853515625 257.1155700683594 4858.71728515625 258.1224365234375 738.1452026367188 259.0630798339844 261.5760803222656 259.1282958984375 159.01370239257812 259.1661376953125 138.57142639160156 263.0579528808594 108.00119018554688 263.1250305175781 153.26136779785156 264.1402587890625 157.2663116455078 265.1429138183594 230.24899291992188 266.1445617675781 106.125 267.1349792480469 87.68055725097656 267.16912841796875 293.72430419921875 268.0542297363281 234.97621154785156 269.1492004394531 548.923095703125 270.1065673828125 108.54545593261719 270.1604919433594 379.01806640625 271.129638671875 608.8576049804688 271.1703186035156 131.13954162597656 272.1699523925781 100.6755599975586 272.5986633300781 83.20411682128906 273.1429138183594 152.97662353515625 275.1717529296875 88.0367660522461 280.12677001953125 78.98076629638672 281.1392822265625 1338.024169921875 282.1176452636719 109.78369903564453 282.13922119140625 56.42241287231445 283.0935363769531 1130.8961181640625 283.1539611816406 599.644775390625 284.1734924316406 103.75438690185547 284.33917236328125 102.77127838134766 285.1089782714844 1039.30859375 287.125244140625 428.28961181640625 287.1595764160156 201.00076293945312 289.105712890625 70.875 289.140869140625 59.72310256958008 291.1090393066406 62.76483154296875 291.13446044921875 129.88897705078125 291.1761474609375 89.80999755859375 292.13543701171875 72.03333282470703 293.1475830078125 156.00286865234375 293.18475341796875 181.7538604736328 293.9339904785156 196.72000122070312 294.1409606933594 150.3477020263672 295.1524658203125 317.3469543457031 297.13104248046875 911.01708984375 297.18450927734375 159.05624389648438 298.1309814453125 73.00157928466797 301.104736328125 3277.8701171875 301.15521240234375 100.02295684814453 302.1133728027344 516.29052734375 303.11981201171875 2004.8466796875 303.15350341796875 221.82044982910156 304.1282958984375 84.125 305.13275146484375 145.04762268066406 305.17242431640625 9983.1259765625 306.17431640625 465.52032470703125 307.0810852050781 77.9692611694336 307.11993408203125 121.45361328125 307.1633605957031 380.04266357421875 308.16925048828125 113.77999877929688 309.1455078125 592.7538452148438 309.1758728027344 215.67822265625 310.1308898925781 145.3791961669922 311.1465759277344 12950.8310546875 311.30450439453125 103.28191375732422 311.5450439453125 58.034481048583984 312.1515197753906 941.5335083007812 313.0915832519531 192.34722900390625 313.162353515625 207.24131774902344 315.11407470703125 91.40895080566406 317.13818359375 168.34913635253906 318.1463928222656 71.18939208984375 319.0967102050781 64.97058868408203 319.1521301269531 1150.8868408203125 319.2005615234375 116.70417022705078 320.1498718261719 67.04808044433594 323.1954040527344 328.16375732421875 324.164794921875 159.669189453125 324.24761962890625 279.375 325.1788635253906 208.4308624267578 326.2176208496094 262.28875732421875 327.1415710449219 5763.43505859375 327.9822998046875 56.71428680419922 328.1451110839844 239.41346740722656 329.12542724609375 270.0 329.1572570800781 5456.09716796875 329.387939453125 149.88613891601562 329.40716552734375 87.55681610107422 329.4480895996094 67.36007690429688 330.1610412597656 343.1644287109375 331.2237854003906 136.36842346191406 332.1533203125 61.280738830566406 335.16241455078125 1338.9346923828125 335.19781494140625 4452.54833984375 335.67449951171875 173.18875122070312 336.1646423339844 105.01551055908203 336.20391845703125 510.1084899902344 337.1753845214844 381.1312255859375 337.2132263183594 1403.5081787109375 338.1766052246094 197.46315002441406 340.18829345703125 182.47946166992188 342.9188537597656 257.5211181640625 343.20391845703125 312.137939453125 344.1098937988281 70.31578826904297 345.20513916015625 65.69551086425781 346.22296142578125 115.56099700927734 347.1462097167969 313.52978515625 349.9833984375 134.82691955566406 351.0720520019531 125.06640625 352.197998046875 69.97297668457031 353.1724853515625 6106.50830078125 353.209228515625 30413.130859375 353.6346740722656 80.890625 354.177978515625 340.5961608886719 354.2137145996094 2695.25 355.1861267089844 224.10964965820312 355.2236022949219 77.2258071899414 358.1866455078125 183.18714904785156 359.1529846191406 60.53125 359.1977844238281 2018.287353515625 361.2136535644531 3246.951416015625 361.6446228027344 65.47206115722656 361.79595947265625 62.18117904663086 363.1823425292969 65.98348999023438 365.2386169433594 63.06081008911133 366.2029113769531 109.35640716552734 367.1879577636719 231.4903106689453 369.17822265625 313.2023620605469 369.1987609863281 292.8522644042969 370.16143798828125 130.14271545410156 371.1458740234375 181.1746826171875 371.18182373046875 293.3602294921875 371.2181701660156 198.98631286621094 373.70635986328125 92.80532836914062 374.1759338378906 67.57894897460938 375.19122314453125 129.70269775390625 376.20037841796875 301.0113525390625 377.1672668457031 54.07267379760742 377.2088317871094 8760.7958984375 377.3044128417969 62.11111068725586 378.212646484375 1032.9144287109375 379.1435546875 246.26065063476562 379.184326171875 144.46746826171875 379.22149658203125 228.375 381.09991455078125 139.78253173828125 381.16461181640625 199.40890502929688 381.5843200683594 107.06304931640625 385.1996765136719 1977.4376220703125 387.1509704589844 57.54166793823242 387.2147521972656 552.623291015625 389.2860412597656 187.1484832763672 391.18695068359375 120.0020523071289 393.1965026855469 263.62286376953125 395.2042236328125 8696.2666015625 395.29840087890625 75.25 395.42230224609375 59.16447448730469 395.462890625 55.70833206176758 396.20843505859375 701.5432739257812 396.7284851074219 60.0184440612793 397.1600646972656 803.9111938476562 397.1972961425781 731.5603637695312 397.2320861816406 158.04969787597656 398.16424560546875 108.171875 399.0980529785156 209.00315856933594 399.1703796386719 185.18560791015625 399.2701416015625 166.5540771484375 402.17803955078125 211.75238037109375 403.2167053222656 246.0452117919922 403.9071960449219 257.34698486328125 407.1982421875 107.5062484741211 411.17742919921875 96.23042297363281 411.2605895996094 237.5435333251953 413.2052001953125 197.06349182128906 415.1756591796875 303.28155517578125 415.20953369140625 1349.982177734375 416.2135009765625 410.40594482421875 419.2481994628906 187.29017639160156 420.14825439453125 270.38909912109375 421.202392578125 504.5450439453125 423.2038269042969 381.339111328125 425.21185302734375 498.57342529296875 425.2408447265625 234.0869598388672 426.2135925292969 94.22245788574219 429.188232421875 282.5151672363281 429.2396240234375 132.015869140625 429.27545166015625 127.04017639160156 431.2033996582031 594.061767578125 431.9427795410156 134.493896484375 432.2065734863281 58.28928756713867 437.1911315917969 181.775634765625 438.3772277832031 136.98629760742188 439.08770751953125 153.5157928466797 439.20892333984375 2674.24169921875 439.5626220703125 93.01136016845703 440.2156066894531 334.0096740722656 441.187744140625 99.75 441.2377624511719 498.1068420410156 442.2372131347656 70.56903076171875 443.2578125 752.7515869140625 447.1959533691406 511.35809326171875 447.2328186035156 707.001953125 448.21832275390625 85.49440002441406 448.2431945800781 122.69261932373047 448.7711486816406 257.6785583496094 448.8742370605469 117.63372039794922 449.2514953613281 48934.71875 449.6509704589844 54.44240188598633 449.7126159667969 109.375 449.7724609375 62.344512939453125 449.81475830078125 86.40178680419922 449.83612060546875 75.85713958740234 450.0267333984375 232.08546447753906 450.2559814453125 3413.253173828125 450.3395080566406 81.89320373535156 450.3760070800781 74.82758331298828 450.4618225097656 93.47222137451172 451.1824951171875 63.3497200012207 451.2356262207031 74.84375 453.2593688964844 117.40966796875 453.9474792480469 174.7058868408203 455.24066162109375 650.5211181640625 459.2499084472656 760.6331176757812 461.34356689453125 69.03225708007812 462.21929931640625 174.171630859375 463.0696105957031 205.0672149658203 463.2294921875 3578.78076171875 464.2409973144531 139.12899780273438 469.2655029296875 119.33611297607422 471.28057861328125 203.12928771972656 475.2319030761719 124.96221160888672 479.2408447265625 1457.2037353515625 480.2838134765625 429.3496398925781 481.19244384765625 208.91941833496094 481.2569274902344 13336.1357421875 481.3389587402344 139.06817626953125 481.4981384277344 64.78893280029297 482.1446533203125 117.51515197753906 482.25921630859375 1557.2744140625 484.2296447753906 149.0416717529297 487.2822265625 94.52083587646484 489.2889099121094 191.4297637939453 489.4136047363281 88.34722137451172 491.22296142578125 178.02767944335938 491.2561950683594 91.90908813476562 492.28143310546875 109.71627044677734 493.17657470703125 98.5706558227539 493.2578430175781 65.13043212890625 493.2879943847656 430.4336853027344 494.79974365234375 66.07691955566406 495.2313537597656 322.936279296875 495.28350830078125 69.28408813476562 495.3261413574219 81.18534851074219 497.1484680175781 125.41020965576172 497.16937255859375 73.05000305175781 497.25128173828125 10565.083984375 497.34375 73.77806091308594 498.258056640625 981.6492919921875 498.29315185546875 328.1600036621094 499.3003845214844 455.4493408203125 499.50238037109375 66.625 500.18157958984375 61.01679229736328 503.2354736328125 277.1617126464844 503.2775573730469 3502.91796875 504.28289794921875 124.09830474853516 505.2935791015625 487.75 506.25567626953125 66.125 506.29193115234375 82.65441131591797 511.2040710449219 163.25 511.2728576660156 142.52015686035156 511.3175964355469 127.12676239013672 512.0322265625 116.0 513.2449340820312 205.7787628173828 515.2697143554688 163.26454162597656 517.3054809570312 95.0952377319336 519.2545776367188 66.15576934814453 519.3229370117188 396.67901611328125 520.3240356445312 142.0044708251953 521.2128295898438 68.80166625976562 521.287353515625 13319.4931640625 521.5950927734375 64.9375 522.2890625 1507.6806640625 524.2720336914062 92.00961303710938 525.3297729492188 83.7793197631836 529.2771606445312 2254.5556640625 530.2897338867188 126.36742401123047 531.2442626953125 78.02777862548828 531.2903442382812 394.55584716796875 532.2988891601562 83.04969787597656 533.3049926757812 57.64015197753906 535.2603759765625 58.602272033691406 535.3182373046875 4758.0625 535.5011596679688 68.27027130126953 536.3223876953125 817.5 537.2383422851562 134.18344116210938 537.28857421875 403.6493225097656 537.334228515625 1215.7039794921875 538.2847290039062 80.69430541992188 538.3385009765625 352.4961242675781 539.3009643554688 821.7523803710938 539.5824584960938 106.94223022460938 540.3135375976562 93.30681610107422 541.2354736328125 116.38549041748047 541.2748413085938 810.1024780273438 542.2374877929688 121.4800033569336 542.286376953125 110.57499694824219 547.28759765625 304.943359375 549.24169921875 156.84507751464844 553.2588500976562 166.6534423828125 553.3297119140625 3422.48583984375 554.3330688476562 688.6849365234375 555.250732421875 81.44642639160156 555.3446655273438 1280.2401123046875 556.3474731445312 229.07766723632812 559.2894287109375 1916.3990478515625 560.2537231445312 117.1738510131836 560.2916259765625 466.1020812988281 561.30908203125 309.4337463378906 563.9635009765625 127.04166412353516 565.2740478515625 402.0650634765625 565.9599609375 197.53073120117188 570.3372802734375 119.01786041259766 571.33984375 6304.0234375 571.9805908203125 84.88904571533203 572.246337890625 134.16346740722656 572.2731323242188 184.875 572.3375244140625 577.159423828125 573.26708984375 824.1005249023438 573.3564453125 150.9423065185547 574.2652587890625 152.63723754882812 575.2825927734375 1128.8040771484375 575.8795166015625 55.10745620727539 576.2854614257812 99.55585479736328 577.264892578125 232.27752685546875 579.3080444335938 168.9762725830078 580.3107299804688 158.34963989257812 583.2888793945312 3832.1484375 585.26220703125 138.4542236328125 585.31494140625 430.716064453125 586.3129272460938 77.44078826904297 589.3458251953125 521.1836547851562 590.3525390625 64.04663848876953 591.2825927734375 231.32142639160156 595.3270263671875 89.71939086914062 596.3684692382812 73.02381134033203 597.3196411132812 1690.885498046875 598.32958984375 108.00735473632812 599.261962890625 62.76005935668945 599.3204345703125 1301.14892578125 603.2457275390625 82.151123046875 603.3289184570312 2742.480224609375 604.3257446289062 243.00543212890625 607.3257446289062 99.33928680419922 607.3729248046875 87.28488159179688 608.3646850585938 54.556819915771484 609.337158203125 211.12722778320312 612.3191528320312 200.84304809570312 613.3400268554688 574.1177978515625 614.318603515625 422.8304138183594 615.2864990234375 129.3457489013672 615.3297729492188 4654.4296875 615.4265747070312 57.0 616.3019409179688 114.0 616.3336181640625 756.0402221679688 617.2599487304688 85.90042114257812 617.3463745117188 527.3345336914062 618.3514404296875 96.20161437988281 619.3046875 94.05357360839844 619.3643188476562 181.78675842285156 623.3192749023438 1467.82470703125 624.3614501953125 395.46990966796875 625.3685302734375 464.29595947265625 627.3507080078125 271.3928527832031 629.2714233398438 74.7409439086914 631.3314819335938 543.0087280273438 632.332763671875 863.6331787109375 633.2318725585938 57.2315559387207 633.2891235351562 174.6179962158203 633.3402099609375 22620.8203125 633.5235595703125 105.42857360839844 633.5469360351562 60.644737243652344 633.7175903320312 77.00277709960938 633.9307861328125 70.17361450195312 634.3424682617188 3226.96435546875 635.2862548828125 91.0608139038086 635.5546875 73.94117736816406 636.2682495117188 61.315216064453125 637.3694458007812 299.2494201660156 641.3298950195312 19446.287109375 641.5614624023438 75.0 641.68359375 54.390625 641.830078125 100.69778442382812 642.0650634765625 72.85713958740234 642.2286376953125 107.76136016845703 642.2742919921875 103.44642639160156 642.333740234375 2062.853515625 642.5457153320312 117.03030395507812 643.38134765625 1539.519775390625 643.4465942382812 123.45681762695312 647.3551025390625 1999.3150634765625 647.4476318359375 59.1467399597168 648.3585205078125 210.00198364257812 649.3721313476562 1206.8990478515625 650.3702392578125 148.3787078857422 657.9737548828125 106.5625 659.3484497070312 241.57894897460938 660.3464965820312 97.65625 662.698486328125 70.48521423339844 665.36669921875 17977.365234375 665.5164184570312 85.04663848876953 665.8513793945312 66.1361083984375 666.3705444335938 3625.5537109375 666.4678955078125 66.08654022216797 666.816650390625 66.00198364257812 666.9054565429688 91.3310775756836 667.1843872070312 63.01323699951172 667.345703125 58.034481048583984 667.6209106445312 58.77941131591797 669.3712768554688 78.98076629638672 677.975341796875 899.0775756835938 678.953857421875 209.21453857421875 679.3945922851562 473.1315002441406 679.9635620117188 56.0466423034668 681.3631591796875 312.78460693359375 683.3759155273438 985.801025390625 684.3800048828125 71.3062515258789 685.3590087890625 581.868896484375 686.3563842773438 214.73495483398438 687.42138671875 144.0 691.3485717773438 91.5952377319336 693.3657836914062 84.63377380371094 697.4074096679688 2176.987060546875 698.4154663085938 214.32546997070312 699.0227661132812 60.5 703.3286743164062 440.0135192871094 705.403076171875 96.38235473632812 709.353515625 266.0769348144531 711.398193359375 90.125 715.4185791015625 13866.568359375 715.6249389648438 80.0206298828125 716.3350830078125 85.67361450195312 716.4200439453125 1326.0 716.4849853515625 189.68679809570312 719.4179077148438 215.32142639160156 727.3663330078125 4781.99853515625 727.4458618164062 171.03912353515625 727.8856201171875 64.33531951904297 728.3660888671875 780.9837036132812 729.3958129882812 458.5511474609375 733.4174194335938 362.626708984375 735.371337890625 148.2142791748047 735.4168701171875 101.9800033569336 741.3912353515625 143.73724365234375 747.4075927734375 3197.9443359375 747.5138549804688 71.61000061035156 747.822021484375 99.01424407958984 748.4129638671875 414.7565002441406 751.4386596679688 108.04789733886719 753.4508666992188 56.66666793823242 757.1530151367188 108.39520263671875 757.2435302734375 93.06585693359375 759.4083251953125 4018.50732421875 759.940673828125 68.6118392944336 760.2755737304688 86.30188751220703 760.4129028320312 654.0999755859375 762.2034301757812 65.13619232177734 769.4255981445312 173.0124969482422 771.3548583984375 55.129032135009766 771.4247436523438 386.1074523925781 772.2810668945312 61.20000076293945 772.9693603515625 65.93882751464844 775.4453735351562 120.0 775.6429443359375 71.08695983886719 777.26123046875 160.30697631835938 777.4197387695312 117421.71875 778.2418212890625 234.0238037109375 778.4223022460938 15822.2265625 778.5385131835938 244.3314208984375 778.6829833984375 64.02616119384766 778.8958129882812 123.80054473876953 778.977294921875 69.77333068847656 779.064208984375 64.43707275390625 779.2574462890625 121.04535675048828 779.4205322265625 75.46106719970703 779.6804809570312 65.0608139038086 779.9910278320312 54.058963775634766 780.0203857421875 74.06314086914062 780.1561889648438 64.2545166015625 780.7831420898438 66.0 789.0685424804688 63.782535552978516 789.990966796875 1329.2281494140625 791.3980102539062 132.4915313720703 791.4887084960938 62.70833206176758 793.4488525390625 2051.0205078125 793.9118041992188 90.5250015258789 794.0784912109375 65.3255844116211 794.4546508789062 119.97972869873047 794.8883056640625 75.44999694824219 795.8255004882812 117.56747436523438 797.7421875 79.65760803222656 809.4093627929688 3593.16748046875 809.5234985351562 63.132354736328125 810.409912109375 691.3345336914062 819.5040283203125 117.13235473632812 823.4791259765625 101.24264526367188 823.7178955078125 66.91737365722656 824.4835815429688 85.36000061035156 831.4959716796875 129.09091186523438 837.3148803710938 69.56465148925781 841.4853515625 3815.112548828125 842.484130859375 362.0003967285156 859.3839111328125 104.4816665649414 859.4979248046875 32911.4453125 859.8233642578125 82.7202377319336 859.919921875 59.125 860.0909423828125 78.00463104248047 860.1367797851562 55.52923583984375 860.3806762695312 103.59529876708984 860.5006103515625 4838.73388671875 860.6144409179688 115.02393341064453 860.6829223632812 62.875 860.7249755859375 91.72844696044922 860.9197998046875 59.043479919433594 861.2274169921875 69.8525619506836 866.9800415039062 135.00161743164062 875.4931030273438 65.29762268066406 877.506591796875 749.1600952148438 878.5118408203125 171.66140747070312 885.4777221679688 287.37359619140625 893.00341796875 76.5952377319336 903.4867553710938 6988.84912109375 904.4920654296875 1642.130615234375 912.0936279296875 63.0476188659668 919.4465942382812 73.04310607910156 920.5743408203125 67.3206558227539 920.8724975585938 103.47058868408203 921.0519409179688 112.5 921.2601928710938 645.6578979492188 921.498291015625 551525.1875 922.5020141601562 83255.1015625 923.2711791992188 134.77806091308594 923.3461303710938 177.3000030517578 923.4456176757812 185.6619415283203 923.5164184570312 118.84487915039062 923.5684814453125 122.1729965209961 923.6163940429688 331.9430236816406 923.711181640625 148.95909118652344 923.8494262695312 73.97208404541016 923.9865112304688 228.2674560546875 924.0281982421875 169.4927520751953 924.1509399414062 102.00162506103516 924.2821044921875 98.99852752685547 924.404296875 145.0614471435547 924.5857543945312 79.83333587646484 924.69091796875 65.76923370361328 924.7869873046875 64.06354522705078 924.868408203125 134.10256958007812 924.9674682617188 108.09423065185547 925.071533203125 83.75513458251953 925.2484130859375 65.31529998779297 925.3021240234375 78.1956558227539 925.4319458007812 58.01785659790039 925.5281372070312 77.8828125 926.4679565429688 76.01786041259766 928.3287353515625 84.78947448730469 929.0248413085938 86.9698257446289 931.9365234375 56.00833511352539 933.5072631835938 74.46939086914062 992.01611328125 55.40833282470703 1093.7510986328125 55.24007797241211 1322.478759765625 99.07205963134766 1675.77099609375 70.78260803222656 1991.2010498046875 55.321807861328125 END IONS BEGIN IONS TITLE=CCMSLIB00005723233 PEPMASS=613.240601 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=20.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_A10_Novobiocin-Sodium.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Novobiocin_20eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=CO[C@@H]1[C@H]([C@H]([C@@H](OC1(C)C)Oc(cc2)c(C)c3c2c(O)c(NC(c4cc(C/C=C(C)\C)c(O)cc4)=O)c(=O)o3)O)OC(N)=O INCHI=InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1 INCHIAUX=YJQPYGGHQPGBLI-KGSXXDOSSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723233 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723233 SCANS=304586 51.02318572998047 1292.6661376953125 51.04541015625 295.861328125 53.037757873535156 366.2533264160156 55.018619537353516 440.69781494140625 55.05472183227539 927.3402099609375 57.03392028808594 238.29132080078125 59.04944610595703 11797.87890625 59.08049774169922 186.06288146972656 62.023597717285156 1435.1173095703125 65.0379638671875 234.64198303222656 68.9974136352539 210.1852569580078 69.03302001953125 312.6976318359375 69.07000732421875 6361.00244140625 71.01276397705078 1300.970703125 71.04948425292969 3620.94775390625 71.08373260498047 156.14244079589844 73.03274536132812 163.438232421875 73.06499481201172 95928.0703125 74.06845092773438 1098.0706787109375 77.03865051269531 3448.78125 79.05398559570312 3361.1748046875 81.06969451904297 297.4090270996094 82.02767181396484 264.49847412109375 83.04935455322266 10367.4609375 84.04460906982422 661.455078125 85.0285873413086 92911.9140625 85.06492614746094 8938.5400390625 86.03192901611328 2486.001953125 87.04499816894531 323.3644714355469 87.08033752441406 2258.368408203125 91.05339050292969 306.8367614746094 91.07540893554688 1453.26123046875 95.0486831665039 700.9977416992188 97.06462097167969 62559.5859375 98.0678482055664 2090.37353515625 99.04388427734375 8308.4921875 99.07945251464844 948.0233764648438 100.04650115966797 173.96694946289062 101.05946350097656 37504.1796875 101.09544372558594 1117.365234375 103.0750732421875 260.0079345703125 105.03307342529297 1100.2462158203125 105.06986999511719 289.0173645019531 107.04882049560547 634.8101806640625 111.08041381835938 3719.07763671875 113.05818939208984 177.8848114013672 115.07587432861328 1617.7186279296875 115.29480743408203 157.59751892089844 116.0339126586914 631.0260620117188 117.05449676513672 1605.26220703125 118.05730438232422 228.75970458984375 119.04956817626953 152.09765625 124.07634735107422 308.1742248535156 124.9412612915039 146.97152709960938 125.05950927734375 282879.40625 125.40614318847656 239.08355712890625 125.5503158569336 171.0079803466797 125.72837829589844 158.77822875976562 126.06283569335938 10023.08203125 127.07530975341797 1988.00830078125 128.06983947753906 4953.50439453125 129.0735321044922 373.4132385253906 129.09071350097656 10519.6806640625 130.09632873535156 243.0006561279297 132.02792358398438 151.04710388183594 133.02822875976562 30730.845703125 134.0347137451172 389.4085388183594 138.05291748046875 147.08908081054688 139.0751953125 5388.34619140625 140.07879638671875 254.5330810546875 142.0860137939453 401.6011962890625 143.0701141357422 49442.140625 144.07257080078125 1645.6048583984375 147.0435028076172 2272.876953125 147.0773162841797 180.02743530273438 157.08604431152344 122951.1953125 157.9608612060547 148.75283813476562 158.08880615234375 5159.841796875 160.05931091308594 178.92770385742188 161.09381103515625 178.5487823486328 162.8587188720703 178.42080688476562 167.02081298828125 255.86207580566406 168.0660400390625 141.53500366210938 169.04844665527344 371.5390625 171.08013916015625 682.0274658203125 175.09608459472656 5054.53076171875 183.81288146972656 213.36842346191406 185.7164764404297 168.19671630859375 186.03770446777344 240.0033721923828 186.07595825195312 123777.0078125 186.67872619628906 189.1953887939453 187.0794219970703 5477.3173828125 189.09095764160156 1469573.5 189.52053833007812 180.8524932861328 189.5618133544922 366.81640625 189.62850952148438 387.2998046875 189.66604614257812 234.0847930908203 189.712646484375 156.22491455078125 189.77120971679688 233.8035430908203 189.89341735839844 226.0977325439453 190.0220947265625 180.3302764892578 190.09437561035156 69830.34375 190.46621704101562 170.57444763183594 199.07723999023438 172.0 200.09182739257812 10367.939453125 201.09469604492188 340.2306213378906 207.09915161132812 228.61752319335938 208.06027221679688 440.0208740234375 218.05108642578125 309.7202453613281 218.10247802734375 122504.1328125 218.58291625976562 152.55577087402344 219.10585021972656 4886.205078125 221.11618041992188 452.3202819824219 234.0391845703125 227.44467163085938 247.09495544433594 180.5635528564453 256.059814453125 156.36842346191406 260.05572509765625 400.2909851074219 272.2494201660156 242.05482482910156 277.1233215332031 184.6284942626953 288.0887145996094 403.57647705078125 314.10369873046875 1057.021240234375 315.102783203125 187.8367462158203 322.0765380859375 434.9754943847656 345.16961669921875 2690.458740234375 378.1339111328125 17595.166015625 379.1371765136719 1539.5567626953125 396.1445007324219 178406.0625 396.8743591308594 153.368896484375 396.9476623535156 142.8533935546875 397.1475524902344 16949.16796875 406.1863098144531 266.8015441894531 417.11956787109375 360.84002685546875 440.1014099121094 264.6090087890625 448.1430358886719 159.3346710205078 462.1546325683594 212.40966796875 471.14556884765625 164.5314178466797 494.1773681640625 312.98968505859375 534.2111206054688 171.36566162109375 613.23828125 2385.619384765625 614.2416381835938 398.75555419921875 1113.7442626953125 149.43182373046875 1303.815185546875 187.5540771484375 END IONS BEGIN IONS TITLE=CCMSLIB00005723234 PEPMASS=613.240601 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=40.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_A10_Novobiocin-Sodium.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Novobiocin_40eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=CO[C@@H]1[C@H]([C@H]([C@@H](OC1(C)C)Oc(cc2)c(C)c3c2c(O)c(NC(c4cc(C/C=C(C)\C)c(O)cc4)=O)c(=O)o3)O)OC(N)=O INCHI=InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1 INCHIAUX=YJQPYGGHQPGBLI-KGSXXDOSSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723234 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723234 SCANS=304918 51.023406982421875 4139.40380859375 53.03922653198242 1528.703125 55.017822265625 1936.4090576171875 55.054412841796875 4824.97509765625 56.04944610595703 260.4052734375 57.03376007080078 1921.00634765625 57.069786071777344 1219.7999267578125 59.01316833496094 525.35693359375 59.0494384765625 15328.5576171875 60.052085876464844 299.3333435058594 61.028717041015625 547.3772583007812 62.023799896240234 2586.1201171875 63.022193908691406 455.25927734375 65.03862762451172 861.4423217773438 67.05435180664062 3456.7685546875 68.99725341796875 1972.0164794921875 69.0330581665039 657.775146484375 69.06990051269531 20160.392578125 69.10240173339844 269.3979187011719 70.07353210449219 838.7097778320312 71.01260375976562 5738.62109375 71.0491943359375 6787.9541015625 71.07237243652344 189.09375 72.01605224609375 302.5950622558594 73.02875518798828 691.7101440429688 73.06498718261719 49377.83203125 74.06985473632812 283.910888671875 75.02318572998047 270.3739929199219 75.04438781738281 280.2012023925781 77.03871154785156 26032.1015625 78.04165649414062 406.427490234375 79.01753234863281 199.53831481933594 79.05429077148438 13526.0263671875 80.05750274658203 729.2305908203125 81.0326919555664 390.01763916015625 81.07002258300781 1759.8367919921875 83.04913330078125 30522.361328125 84.05018615722656 777.0806884765625 85.02839660644531 55880.65625 85.06478118896484 18029.11328125 86.03156280517578 1308.2410888671875 86.06775665283203 262.6403503417969 87.04423522949219 992.5504150390625 87.08027648925781 4653.3896484375 89.02333068847656 1444.19482421875 91.05420684814453 2041.8404541015625 91.07281494140625 427.1330261230469 93.07063293457031 262.4215393066406 95.0489730834961 1322.1025390625 96.05654907226562 465.340576171875 97.0644760131836 197597.5625 98.06828308105469 3865.964111328125 99.04388427734375 13608.54296875 99.08068084716797 1889.0452880859375 101.02223205566406 204.1492462158203 101.0594711303711 39728.96484375 102.06301879882812 618.1558227539062 102.91636657714844 224.1953125 103.05416107177734 342.42633056640625 103.07532501220703 740.087890625 104.03302001953125 330.7155456542969 105.03294372558594 4873.1787109375 105.06979370117188 1721.01025390625 106.041015625 658.1203002929688 107.04865264892578 2476.345458984375 108.05194091796875 347.0854797363281 109.06359100341797 344.7195129394531 111.0801773071289 11651.880859375 112.082763671875 462.5723571777344 113.0589828491211 959.558837890625 115.03840637207031 768.6889038085938 115.05091857910156 584.5205688476562 115.07561492919922 2747.087890625 116.03401184082031 2009.3026123046875 116.07135772705078 235.00755310058594 117.053955078125 1474.21826171875 117.09136962890625 264.2326965332031 119.04925537109375 948.8377075195312 119.08433532714844 374.09124755859375 121.0279541015625 402.9045104980469 125.02991485595703 244.3950958251953 125.05957794189453 111828.765625 125.4378662109375 193.12725830078125 126.06273651123047 3964.508544921875 127.05393981933594 344.8454284667969 127.07491302490234 3763.0244140625 128.0699005126953 5360.45947265625 129.090576171875 7550.31982421875 130.09194946289062 198.49705505371094 131.0479736328125 972.1253662109375 131.08352661132812 301.51055908203125 132.02957153320312 522.4815063476562 132.0487823486328 206.6049346923828 133.02828979492188 297116.28125 133.5367431640625 210.16964721679688 134.03184509277344 9618.9384765625 139.0755157470703 11340.59375 140.07675170898438 291.39056396484375 143.03329467773438 232.381103515625 143.07009887695312 50746.734375 144.045166015625 542.6465454101562 144.0739288330078 1103.02294921875 146.07183837890625 205.62962341308594 147.04360961914062 17739.53515625 147.0788116455078 1297.8685302734375 148.04710388183594 621.1666870117188 150.02951049804688 269.2290954589844 150.05392456054688 257.7935791015625 157.0856170654297 28985.146484375 158.0895233154297 932.2073364257812 161.09532165527344 1383.742431640625 171.0799102783203 2489.215087890625 172.0400848388672 203.686279296875 174.0664520263672 199.110595703125 175.0955352783203 273.8994140625 178.0487060546875 234.32183837890625 186.05389404296875 565.0505981445312 186.076171875 15075.9501953125 187.0784454345703 727.8642578125 189.09107971191406 1947323.875 189.50198364257812 599.065673828125 189.6102294921875 261.310546875 189.71621704101562 327.1759033203125 189.74374389648438 227.28465270996094 189.87948608398438 311.44952392578125 190.00750732421875 224.47454833984375 190.09437561035156 88880.4453125 200.09107971191406 389.81732177734375 206.04412841796875 255.87655639648438 208.06106567382812 1038.1912841796875 218.0435791015625 297.07757568359375 218.10174560546875 672.424072265625 228.1013946533203 554.121337890625 288.0904541015625 257.0735168457031 294.0746765136719 243.2224578857422 314.10284423828125 195.90963745117188 321.995849609375 229.71153259277344 322.0708312988281 3881.899169921875 323.070556640625 403.2884521484375 378.13348388671875 20006.298828125 379.1360168457031 2232.580078125 1018.6713256835938 186.85545349121094 1528.42919921875 201.55133056640625 END IONS BEGIN IONS TITLE=CCMSLIB00005723235 PEPMASS=613.240601 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=50.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_A10_Novobiocin-Sodium.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Novobiocin_50eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=CO[C@@H]1[C@H]([C@H]([C@@H](OC1(C)C)Oc(cc2)c(C)c3c2c(O)c(NC(c4cc(C/C=C(C)\C)c(O)cc4)=O)c(=O)o3)O)OC(N)=O INCHI=InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1 INCHIAUX=YJQPYGGHQPGBLI-KGSXXDOSSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723235 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723235 SCANS=305250 51.023338317871094 8661.1015625 51.051212310791016 144.07142639160156 52.027015686035156 267.16571044921875 53.03880310058594 2193.93359375 55.01803970336914 4874.61962890625 55.054405212402344 8583.9775390625 56.02469253540039 504.191162109375 56.057716369628906 586.63720703125 57.03385543823242 1446.3267822265625 57.07029342651367 3160.05029296875 59.04941177368164 17905.728515625 61.02859115600586 876.0140991210938 62.02385711669922 1506.621337890625 63.02417755126953 205.8848114013672 65.03875732421875 651.2915649414062 66.04554748535156 285.9022521972656 67.05448150634766 7115.4951171875 68.99761199951172 3193.41552734375 69.03385925292969 767.9053955078125 69.07008361816406 30267.01953125 69.10182189941406 515.0050048828125 70.04014587402344 256.8626708984375 70.07372283935547 411.9454345703125 71.01286315917969 6360.4482421875 71.04926300048828 10774.078125 73.02801513671875 1014.6803588867188 73.06510925292969 38706.90625 74.06786346435547 678.4938354492188 75.04361724853516 479.48321533203125 77.03884887695312 52667.79296875 78.04249572753906 1181.305419921875 79.0542221069336 21519.18359375 79.0896224975586 263.65643310546875 80.05695343017578 377.6235046386719 81.03376007080078 455.2403259277344 81.06971740722656 3179.142822265625 82.06433868408203 190.55384826660156 83.04925537109375 39744.73828125 83.08612823486328 692.8064575195312 84.05178833007812 965.7301025390625 85.02833557128906 37868.58203125 85.06484985351562 24404.716796875 86.03205108642578 396.55938720703125 86.06764221191406 211.26651000976562 87.0076904296875 592.353515625 87.04402923583984 1106.213134765625 87.0802993774414 5868.0810546875 88.0467758178711 203.83999633789062 88.0838394165039 267.01513671875 89.02304077148438 1837.02001953125 89.05949401855469 368.6139221191406 91.05399322509766 6771.455078125 92.05615234375 285.04791259765625 93.06970977783203 189.28048706054688 95.04902648925781 1627.6915283203125 96.05738067626953 987.6464233398438 97.00811767578125 177.0029754638672 97.06448364257812 196204.578125 98.06856536865234 4677.1416015625 99.0440673828125 8657.638671875 99.07980346679688 2994.492431640625 101.02378845214844 511.2657470703125 101.05949401855469 28543.548828125 101.09712219238281 780.0867309570312 102.06278991699219 585.3733520507812 103.05280303955078 237.7781219482422 103.07569122314453 1463.6754150390625 105.03309631347656 17582.05078125 105.0697250366211 4272.07666015625 106.0404281616211 1614.077392578125 107.04837036132812 3238.1728515625 108.05350494384766 210.5902099609375 109.06459045410156 251.27252197265625 111.04330444335938 316.0769348144531 111.0801773071289 12188.79296875 115.03788757324219 515.1466064453125 115.0525131225586 537.9506225585938 115.07481384277344 1362.65185546875 116.033935546875 980.095947265625 117.05389404296875 459.0227355957031 117.06906127929688 467.9388122558594 117.0882339477539 298.28009033203125 118.07854461669922 260.204833984375 119.04915618896484 870.846923828125 119.08539581298828 2028.8197021484375 120.0546875 190.4199981689453 121.0274658203125 864.1329345703125 121.06396484375 331.48779296875 123.04312133789062 262.1926574707031 124.05094909667969 317.9417419433594 125.05933380126953 62256.546875 126.06290435791016 2481.226806640625 127.05327606201172 439.0270690917969 127.07583618164062 1640.6080322265625 128.06996154785156 4547.2041015625 129.09027099609375 3705.237548828125 130.09176635742188 181.98684692382812 131.04879760742188 1166.092529296875 131.08438110351562 226.0453643798828 132.0558624267578 511.51123046875 132.08518981933594 203.77163696289062 132.95143127441406 201.0032958984375 132.9635009765625 247.9633331298828 133.02822875976562 766804.125 133.44659423828125 271.5284118652344 133.46873474121094 236.57211303710938 133.49607849121094 194.66607666015625 133.5828094482422 346.18560791015625 134.03164672851562 27083.56640625 134.10533142089844 256.05633544921875 135.0433807373047 445.91583251953125 139.0750274658203 7451.3603515625 141.07052612304688 163.75555419921875 143.07020568847656 27800.482421875 144.0451202392578 245.04580688476562 144.07313537597656 713.437744140625 145.0301513671875 232.11341857910156 145.06419372558594 253.0072479248047 145.1021728515625 164.1607208251953 146.07273864746094 858.6217041015625 147.0440216064453 41254.76171875 147.08029174804688 3913.23193359375 148.04710388183594 1657.1358642578125 151.03871154785156 832.8163452148438 157.08551025390625 5826.86865234375 158.08944702148438 544.5734252929688 160.05201721191406 302.0 161.0594482421875 730.799560546875 161.0956573486328 2331.1904296875 162.09918212890625 177.74192810058594 163.03712463378906 161.0104217529297 168.06568908691406 169.5592041015625 169.06402587890625 310.6622619628906 171.07989501953125 7593.9951171875 172.0388641357422 352.2256774902344 178.0519256591797 151.046875 186.05502319335938 337.24853515625 186.07554626464844 2708.85205078125 187.07765197753906 329.47064208984375 188.99002075195312 371.9612121582031 189.0909423828125 1516488.25 189.5276336669922 248.40667724609375 189.555908203125 292.13873291015625 189.58070373535156 209.16928100585938 189.6157684326172 170.46865844726562 189.64976501464844 205.6887969970703 189.6669464111328 157.87930297851562 189.68630981445312 169.06295776367188 189.70220947265625 160.63014221191406 189.7747802734375 181.43646240234375 189.8001708984375 166.25698852539062 189.92787170410156 178.99957275390625 189.9929656982422 312.416015625 190.0606231689453 223.50994873046875 190.0942840576172 69868.2734375 208.0586395263672 1442.7520751953125 211.09445190429688 179.1957550048828 218.04403686523438 448.888916015625 218.09947204589844 183.07022094726562 219.0671844482422 172.69210815429688 228.1009063720703 1551.2327880859375 270.1092224121094 150.55905151367188 294.0771484375 738.7205810546875 295.07769775390625 178.5135955810547 322.071044921875 15181.2568359375 323.07598876953125 737.9615478515625 334.0706787109375 316.0 336.08447265625 180.1292724609375 360.12249755859375 159.36012268066406 378.13336181640625 10839.7041015625 379.1360168457031 896.81640625 388.08251953125 146.0 398.1345520019531 168.99058532714844 1769.20458984375 158.4379119873047 END IONS BEGIN IONS TITLE=CCMSLIB00005723236 PEPMASS=916.52935 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=20.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_B3_Tylosin.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Tylosin_20eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC INCHI=InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14-,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1 INCHIAUX=WBPYTXDJUQJLPQ-AGWCIFRYSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723236 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723236 SCANS=211946 55.054473876953125 2180.64404296875 58.02936935424805 548.0864868164062 58.06560134887695 3722.16552734375 59.049339294433594 4574.775390625 69.0325698852539 629.290283203125 70.06550598144531 863.8572998046875 71.04928588867188 1369.34619140625 73.05278778076172 3302.001708984375 81.06993865966797 1538.8343505859375 82.0652847290039 877.8980102539062 83.04916381835938 39419.5390625 84.05207824707031 508.54534912109375 84.08092498779297 3770.64599609375 85.02803802490234 1057.0860595703125 85.06478881835938 1948.0438232421875 86.0602798461914 833.9950561523438 87.04393768310547 3735.523681640625 87.06669616699219 626.0730590820312 88.07559967041016 23437.896484375 97.06332397460938 652.86865234375 98.09617614746094 12643.3955078125 99.0440673828125 3892.0947265625 99.07933044433594 575.877685546875 99.09972381591797 486.5613098144531 100.07525634765625 6684.16455078125 101.05953979492188 73826.390625 102.06316375732422 1075.0711669921875 109.06475830078125 1894.441650390625 111.04381561279297 684.818359375 112.07486724853516 684.3776245117188 113.05935668945312 606.401123046875 114.09109497070312 4436.2890625 115.09841918945312 4277.1171875 116.07020568847656 12264.9921875 116.10669708251953 1602.6141357421875 119.08487701416016 1065.4490966796875 121.10083770751953 1557.115478515625 125.05912780761719 555.2299194335938 126.0910415649414 1047.2882080078125 127.07494354248047 43142.2421875 128.07798767089844 1079.8505859375 130.0857391357422 1390.3426513671875 132.10153198242188 41199.9765625 133.1029052734375 1329.120849609375 135.11695861816406 715.6265869140625 137.09487915039062 727.2115478515625 143.06997680664062 3501.276123046875 144.10183715820312 457.2223205566406 145.0856475830078 52398.4765625 151.11048889160156 647.756591796875 153.0541229248047 1044.0045166015625 156.10165405273438 22202.259765625 158.1173858642578 3481.136474609375 172.0960693359375 2654.45458984375 174.08221435546875 888.0578002929688 174.11219787597656 550319.6875 175.1151580810547 14229.5400390625 181.08609008789062 466.00299072265625 192.1233367919922 3288.609130859375 199.14877319335938 525.8519897460938 209.11732482910156 533.1132202148438 214.14370727539062 608.0033569335938 219.10211181640625 917.400634765625 225.16224670410156 528.5009765625 232.15374755859375 4070.339111328125 237.1117401123047 806.595703125 276.1800842285156 8699.93359375 313.177734375 792.9432983398438 318.1907958984375 42660.69140625 319.1948547363281 2038.845458984375 325.21746826171875 494.8406982421875 331.18963623046875 1079.163330078125 333.20477294921875 438.97515869140625 341.21148681640625 773.7009887695312 345.2430725097656 589.6050415039062 348.2022705078125 2500.361083984375 353.20977783203125 894.6087036132812 355.22662353515625 989.7130126953125 359.2215576171875 2104.306884765625 361.2376708984375 586.3045654296875 371.2212829589844 3226.757568359375 372.22308349609375 603.56005859375 373.2372131347656 2274.65234375 377.23077392578125 1778.04638671875 389.232421875 10439.84765625 390.2314453125 528.8963012695312 391.2468566894531 4212.12255859375 407.24273681640625 16768.654296875 408.2453308105469 1287.7667236328125 409.2586975097656 2623.738037109375 425.25244140625 3160.75439453125 580.3468627929688 1170.3167724609375 582.36328125 2948.3046875 598.3573608398438 19344.349609375 599.3614501953125 2332.90673828125 742.4345703125 644.73486328125 754.4367065429688 4474.0712890625 755.4340209960938 903.7456665039062 770.43212890625 2779.492431640625 772.44775390625 391005.90625 773.4501953125 54120.078125 898.5155639648438 970.236328125 915.6497192382812 503.7923889160156 916.1140747070312 622.3372802734375 916.2010498046875 974.800537109375 916.5294799804688 4418118.5 917.5296020507812 918988.125 918.4985961914062 702.1336059570312 918.6917114257812 736.9718017578125 918.7379760742188 467.2323303222656 918.8663330078125 690.7698974609375 918.9309692382812 514.9789428710938 918.9945068359375 526.5904541015625 919.1753540039062 432.2088317871094 END IONS BEGIN IONS TITLE=CCMSLIB00005723237 PEPMASS=916.52935 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=40.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_B3_Tylosin.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Tylosin_40eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC INCHI=InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14-,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1 INCHIAUX=WBPYTXDJUQJLPQ-AGWCIFRYSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723237 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723237 SCANS=212279 53.03865432739258 809.9033813476562 55.018638610839844 586.0625 55.042236328125 503.56170654296875 55.05430221557617 20960.349609375 56.05105972290039 554.9382934570312 57.03379440307617 7513.03662109375 58.02886962890625 3172.681884765625 58.06529235839844 26439.87109375 58.09537124633789 455.4814758300781 59.04947280883789 16414.126953125 61.02873611450195 637.7952270507812 65.0395278930664 364.4517822265625 67.0544662475586 1253.6688232421875 69.03327178955078 3764.750244140625 69.06983947753906 342.5555419921875 70.06517791748047 2479.4541015625 71.0128402709961 807.1869506835938 71.04920196533203 8117.68994140625 71.0721206665039 1010.9826049804688 71.0838851928711 472.0405578613281 72.05120849609375 357.01654052734375 72.08076477050781 6633.22314453125 73.0522689819336 11299.39453125 73.06377410888672 7270.01708984375 74.06787872314453 405.3372802734375 75.04381561279297 866.3138427734375 79.05423736572266 1288.7708740234375 81.06986236572266 13948.6083984375 82.06612396240234 1482.36572265625 83.04914093017578 369577.125 84.05242919921875 6769.49951171875 84.08075714111328 35926.7890625 85.02845764160156 13344.119140625 85.06475830078125 19647.279296875 86.06011962890625 4224.611328125 86.09671783447266 1629.5704345703125 87.04389190673828 22478.734375 87.08025360107422 599.88134765625 88.04853057861328 539.4534912109375 88.07589721679688 142177.140625 89.05850982666016 565.508544921875 89.07852935791016 1832.2686767578125 93.06966400146484 1436.0819091796875 95.04867553710938 1472.9881591796875 95.08537292480469 1015.1901245117188 96.0806884765625 605.2349243164062 97.06449890136719 2993.794677734375 98.0594711303711 999.5772094726562 98.0964584350586 96852.921875 99.04383850097656 25277.908203125 99.07989501953125 2749.204345703125 99.0995864868164 3556.974609375 100.04818725585938 602.1688842773438 100.07559204101562 45456.65625 100.92213439941406 359.83721923828125 101.05941772460938 667745.25 101.38530731201172 355.4346923828125 102.06288146972656 8371.3984375 102.09090423583984 4641.8583984375 105.07005310058594 655.8367919921875 107.08475494384766 2228.64111328125 109.06464385986328 15899.7294921875 109.10084533691406 2860.928955078125 111.04345703125 3723.272216796875 111.0803451538086 672.1845703125 112.07524108886719 11071.5048828125 113.05911254882812 4392.00537109375 113.08137512207031 576.021728515625 114.09102630615234 38265.91796875 115.07695007324219 846.4000244140625 115.09876251220703 22674.57421875 116.05280303955078 431.88372802734375 116.07022094726562 84315.3046875 116.1065673828125 11870.5302734375 117.07304382324219 1713.9044189453125 119.04694366455078 556.0629272460938 119.08487701416016 1545.9798583984375 121.06395721435547 1011.112060546875 121.10116577148438 6491.837890625 123.08000946044922 915.9030151367188 123.11649322509766 1874.9217529296875 125.05943298339844 4040.827392578125 125.09526062011719 2689.834228515625 126.09099578857422 10181.7646484375 127.07506561279297 302879.9375 128.07794189453125 9484.205078125 128.106201171875 5385.70361328125 129.05398559570312 2562.069091796875 129.09066772460938 1816.489990234375 130.0859832763672 16044.50390625 131.0696563720703 1293.0059814453125 131.08450317382812 959.5260009765625 132.10157775878906 359908.0 133.1045684814453 8535.455078125 135.07872009277344 562.4916381835938 135.11624145507812 5377.7802734375 137.0589141845703 623.1936645507812 137.0957794189453 5267.16259765625 137.13172912597656 1148.797119140625 138.09103393554688 1266.63720703125 139.0747528076172 343.16290283203125 139.1126251220703 634.107421875 143.07003784179688 20101.478515625 144.1011199951172 3641.89208984375 145.08563232421875 260586.90625 146.08895874023438 6873.0 147.07908630371094 731.9713745117188 147.1166229248047 1516.103271484375 149.09654235839844 1503.132080078125 149.1314697265625 908.0696411132812 151.0738983154297 370.7981872558594 151.11131286621094 2273.751953125 153.0546875 3886.61767578125 153.08987426757812 722.3496704101562 153.12730407714844 1164.1822509765625 155.07032775878906 1014.3573608398438 155.10658264160156 405.7159729003906 156.07293701171875 651.9064331054688 156.1018829345703 207893.921875 157.08534240722656 2159.531005859375 157.104248046875 5067.34765625 158.11724853515625 15773.478515625 159.11790466308594 2205.070556640625 161.062255859375 367.3210144042969 161.0953826904297 1542.1036376953125 161.13162231445312 1470.6287841796875 163.074951171875 766.0333862304688 163.11099243164062 1959.946044921875 165.09144592285156 498.02117919921875 165.12782287597656 1246.667724609375 167.10610961914062 950.0005493164062 169.10044860839844 1031.2677001953125 169.11648559570312 399.25262451171875 171.11557006835938 844.6420288085938 172.09620666503906 15142.677734375 173.095703125 2377.82763671875 173.1316680908203 631.6799926757812 174.11297607421875 3351775.5 174.54234313964844 411.4583435058594 174.5894317626953 595.6444702148438 174.62753295898438 371.8616027832031 174.66497802734375 486.53125 174.7788543701172 406.3282470703125 174.8143310546875 398.4735107421875 174.83543395996094 371.5628967285156 175.11557006835938 92668.953125 176.12709045410156 1123.5433349609375 177.1282501220703 534.9708251953125 179.10658264160156 2770.505126953125 181.08468627929688 1374.11572265625 181.12191772460938 835.7211303710938 183.11529541015625 1285.4449462890625 185.13265991210938 1208.625732421875 187.1099090576172 492.0909118652344 187.1476287841797 637.6339721679688 189.12713623046875 1607.99853515625 189.16220092773438 519.02294921875 190.10696411132812 1400.317138671875 190.14251708984375 402.2481689453125 191.10655212402344 6102.58935546875 191.14219665527344 1238.0684814453125 192.1231231689453 12689.53125 193.08387756347656 360.4959716796875 193.12220764160156 3314.763916015625 195.1011199951172 1650.13330078125 197.1166534423828 970.28515625 197.131591796875 1606.750244140625 199.11138916015625 376.00042724609375 199.1472625732422 1747.4412841796875 201.0908966064453 1032.022705078125 201.12570190429688 665.6334838867188 201.16232299804688 556.0625 203.10682678222656 1509.1806640625 203.1406707763672 584.3062133789062 205.12164306640625 1197.5391845703125 205.15765380859375 1555.9654541015625 207.102294921875 835.35546875 207.136962890625 761.4620361328125 209.11573791503906 2250.2919921875 209.12925720214844 1912.9927978515625 210.12030029296875 402.5934753417969 211.14646911621094 1510.600341796875 213.1641387939453 1754.7833251953125 214.1439666748047 5587.46728515625 215.10540771484375 453.7361145019531 215.14266967773438 2243.949951171875 215.1772918701172 1385.436767578125 217.12185668945312 681.396484375 217.1568145751953 575.751220703125 219.1015167236328 6070.02783203125 219.1328125 624.5957641601562 219.17112731933594 369.8125 221.1160125732422 483.8688049316406 223.14590454101562 833.9418334960938 225.1152801513672 465.0523376464844 225.16368103027344 2144.84765625 227.1428680419922 615.3192138671875 227.17791748046875 1388.843994140625 229.1578826904297 2127.41455078125 229.19253540039062 431.90625 231.10186767578125 443.82391357421875 232.15414428710938 32487.052734375 233.11651611328125 806.7220458984375 233.1558380126953 2573.876953125 235.13238525390625 1055.186767578125 235.14378356933594 788.9000244140625 235.1651611328125 388.0006408691406 237.1111602783203 3929.714599609375 237.16476440429688 696.6687622070312 238.17202758789062 488.9111633300781 239.14321899414062 651.8894653320312 239.17457580566406 378.9757995605469 241.15672302246094 779.9828491210938 243.1737060546875 1976.455078125 243.20980834960938 503.12042236328125 245.15252685546875 740.3302612304688 245.18980407714844 475.0015869140625 247.1322784423828 1065.89599609375 249.11273193359375 1004.98046875 251.13270568847656 680.390380859375 251.1782684326172 952.840576171875 253.15682983398438 742.2449340820312 253.1934051513672 663.1814575195312 255.12332153320312 1241.34033203125 255.17349243164062 974.6935424804688 257.1519775390625 498.8636474609375 257.18890380859375 658.4104614257812 257.2278137207031 397.3505859375 259.16864013671875 1598.9862060546875 261.1114196777344 368.45806884765625 261.18255615234375 513.1377563476562 263.12786865234375 368.81829833984375 263.1639404296875 456.0560302734375 265.1514587402344 477.1900939941406 265.1891784667969 537.38134765625 267.17242431640625 679.6453247070312 267.2088928222656 580.4400634765625 269.1537780761719 759.3980102539062 269.2237243652344 417.3065185546875 271.1685791015625 2032.3466796875 271.20648193359375 1150.6951904296875 273.1486511230469 645.0248413085938 273.18463134765625 1913.826171875 275.1621398925781 432.5810241699219 276.1806945800781 28596.68359375 277.1831359863281 1845.0032958984375 279.1578369140625 615.441162109375 279.1714782714844 554.1617431640625 279.208251953125 651.7460327148438 283.20465087890625 976.224853515625 285.14764404296875 721.4682006835938 285.1843566894531 789.3573608398438 285.2174377441406 362.3896179199219 287.1632080078125 676.3646240234375 289.14300537109375 1259.83154296875 289.19146728515625 1088.0067138671875 291.15972900390625 408.6536560058594 291.1953430175781 519.858154296875 293.1891784667969 645.9054565429688 295.1685791015625 907.4400634765625 295.2071228027344 519.0499877929688 297.18182373046875 431.33819580078125 297.220458984375 581.0474853515625 299.163818359375 434.8033142089844 299.201171875 1220.1925048828125 299.2371520996094 594.3689575195312 301.2162780761719 1072.5611572265625 303.1585998535156 1111.927978515625 303.1943054199219 1493.0 305.17584228515625 1164.37353515625 306.1900939941406 591.0146484375 307.1551208496094 995.4979858398438 307.205078125 813.0037841796875 309.1764831542969 1157.9356689453125 309.2203369140625 1761.4822998046875 311.2001037597656 952.3775024414062 313.1800231933594 5139.2001953125 313.2138671875 2189.814453125 314.18597412109375 609.5042114257812 315.2320556640625 980.582763671875 317.1885986328125 674.9553833007812 317.2075500488281 557.8480834960938 318.156982421875 385.437744140625 318.19097900390625 63107.94140625 319.19482421875 3726.132080078125 321.1705627441406 357.2100830078125 323.2001647949219 956.5200805664062 325.2168273925781 1880.515625 327.1983642578125 694.12060546875 327.2309875488281 2761.644287109375 329.210205078125 814.8890380859375 331.19049072265625 7014.1875 331.2249755859375 4140.56689453125 332.19146728515625 655.3298950195312 333.20648193359375 629.3382568359375 335.1996154785156 1758.27099609375 336.20098876953125 665.0874633789062 337.2151794433594 1120.0140380859375 341.2115173339844 4185.52392578125 342.2149658203125 387.21875 343.2256164550781 2973.59814453125 344.22845458984375 445.5622253417969 345.20623779296875 1730.2369384765625 345.24200439453125 2885.327880859375 347.22119140625 628.65185546875 348.2015075683594 12433.9375 349.2032470703125 1597.3341064453125 353.2106628417969 6307.2568359375 354.2126770019531 404.41619873046875 355.2275695800781 1822.0355224609375 359.22113037109375 12454.22265625 360.2272033691406 1347.4891357421875 361.2377014160156 2043.3837890625 363.21734619140625 1297.0096435546875 371.2208251953125 19142.009765625 372.2243347167969 1967.4853515625 373.2371520996094 10406.287109375 374.2406311035156 1358.5260009765625 377.23248291015625 9957.412109375 378.23486328125 1277.377685546875 389.1927490234375 710.8967895507812 389.2322998046875 45768.0234375 390.2357482910156 3436.402587890625 391.2476806640625 10594.712890625 392.2488708496094 758.4051513671875 407.24285888671875 48029.16796875 408.24603271484375 3899.6982421875 409.25762939453125 4924.34326171875 425.2537536621094 5008.48583984375 473.25048828125 537.1378173828125 499.2673034667969 436.0401916503906 517.27783203125 365.00042724609375 564.3545532226562 694.0020751953125 578.3304443359375 393.54595947265625 580.3467407226562 5536.9375 581.3525390625 392.7347106933594 582.3632202148438 5541.525390625 583.36572265625 732.3241577148438 596.3428344726562 2264.283447265625 598.3582763671875 67751.140625 599.362060546875 8266.466796875 740.418701171875 840.8281860351562 742.436279296875 2493.6484375 743.4374389648438 351.6666564941406 754.4373168945312 11062.552734375 755.4389038085938 1149.6287841796875 770.4315185546875 7384.2041015625 771.4380493164062 893.6751098632812 772.27880859375 379.4599304199219 772.4475708007812 503365.3125 773.450927734375 64185.26171875 898.5125122070312 607.0849609375 916.5263671875 339443.3125 917.529296875 49131.48828125 END IONS BEGIN IONS TITLE=CCMSLIB00005723238 PEPMASS=916.52935 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=50.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_B3_Tylosin.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Tylosin_50eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC INCHI=InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14-,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1 INCHIAUX=WBPYTXDJUQJLPQ-AGWCIFRYSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723238 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723238 SCANS=212611 53.03919982910156 2253.162109375 55.01810836791992 1338.0108642578125 55.041236877441406 1217.5023193359375 55.054466247558594 43284.3046875 56.056793212890625 332.3025207519531 57.033836364746094 11740.8154296875 57.055503845214844 601.5017700195312 57.0694465637207 661.7203369140625 58.02879333496094 1654.173095703125 58.06529235839844 52632.1171875 59.01359558105469 360.5017395019531 59.04934310913086 31011.177734375 61.02896499633789 893.1569213867188 63.044254302978516 339.14984130859375 65.03900909423828 714.0089111328125 67.053955078125 2408.079833984375 68.04938507080078 373.1742248535156 69.03339385986328 9044.552734375 69.06990051269531 1414.31298828125 70.03691864013672 603.6650390625 70.0656509399414 4848.76025390625 71.01274871826172 1677.41796875 71.0492935180664 15312.71875 71.07207489013672 2582.4443359375 71.085205078125 2152.629638671875 72.04650115966797 694.5614624023438 72.080810546875 10703.80859375 73.05191802978516 19490.380859375 73.0639877319336 15043.05078125 73.09808349609375 375.014404296875 74.06202697753906 643.0377197265625 75.04388427734375 1771.1563720703125 77.0387954711914 844.7227172851562 79.05423736572266 2661.620849609375 81.03485870361328 350.7356262207031 81.06971740722656 18224.42578125 82.06539916992188 1537.4586181640625 83.04905700683594 586192.6875 83.32612609863281 288.0313415527344 84.05269622802734 7025.17822265625 84.08082580566406 53681.51953125 85.02842712402344 29968.673828125 85.06475067138672 39717.2734375 86.03205108642578 831.148681640625 86.05994415283203 10595.5068359375 86.09647369384766 3735.7587890625 87.04399871826172 45738.1953125 88.04729461669922 516.111572265625 88.0757064819336 336138.0625 89.05986022949219 1220.1224365234375 89.07888793945312 5801.05078125 91.05485534667969 603.2030029296875 93.06918334960938 4119.79345703125 95.04885864257812 2824.041259765625 95.08570098876953 1796.1749267578125 96.08043670654297 1568.5068359375 97.06436157226562 7871.796875 97.10050964355469 298.0939025878906 98.05957794189453 2452.138427734375 98.0962142944336 187489.859375 99.04401397705078 40879.2421875 99.0800552368164 4760.7275390625 99.09945678710938 3538.2666015625 100.04749298095703 845.7656860351562 100.07557678222656 81299.875 101.02175903320312 297.7939758300781 101.05937957763672 846623.4375 101.08085632324219 112401.65625 101.37383270263672 333.47833251953125 101.42810821533203 314.2300720214844 102.06307983398438 10237.5048828125 102.09101867675781 8762.634765625 105.07002258300781 1281.4937744140625 107.04931640625 407.4809875488281 107.0849609375 3680.044189453125 109.06465148925781 21580.197265625 109.10113525390625 1995.854248046875 110.06709289550781 305.7615051269531 110.0954360961914 410.751953125 111.04376220703125 7944.93701171875 111.08002471923828 673.7583618164062 112.07530975341797 15652.2861328125 113.05912780761719 5562.2666015625 113.08251190185547 2624.66845703125 114.09111022949219 76345.859375 115.07511901855469 2861.673828125 115.09880828857422 45707.21875 116.07054901123047 171415.25 116.10665130615234 19140.23828125 117.0545883178711 480.24163818359375 117.07288360595703 1542.7337646484375 118.08533477783203 919.0480346679688 119.0850601196289 2630.87255859375 121.06404113769531 1451.8189697265625 121.10076904296875 7498.89990234375 122.10275268554688 336.22454833984375 123.07984161376953 810.4569091796875 123.11692810058594 1667.797119140625 125.05934143066406 2797.124755859375 125.09574890136719 2123.83349609375 126.09095764160156 17875.595703125 127.07518005371094 255460.78125 127.43924713134766 329.6810302734375 128.0782012939453 8420.7451171875 128.10647583007812 7001.41455078125 129.0543212890625 4665.728515625 129.09060668945312 2197.136962890625 130.05801391601562 359.2361145019531 130.0859832763672 22536.181640625 131.06988525390625 1083.8734130859375 131.0859375 1177.33349609375 132.10159301757812 364989.25 133.10418701171875 7652.0810546875 135.08023071289062 1654.3203125 135.1162872314453 3569.333984375 137.05831909179688 892.8002319335938 137.09632873535156 3954.8291015625 137.13153076171875 977.5419311523438 138.09144592285156 2213.974365234375 139.07501220703125 1424.2445068359375 139.11184692382812 804.1207275390625 141.0558624267578 564.1282348632812 141.09194946289062 769.9796752929688 142.08236694335938 355.7618103027344 143.0698699951172 23117.966796875 144.0732421875 995.4571533203125 144.10153198242188 4617.6337890625 145.08607482910156 138309.875 146.08944702148438 3857.562255859375 147.08042907714844 747.3968505859375 147.1164093017578 1348.2032470703125 149.09544372558594 2747.79931640625 149.1323699951172 722.6741943359375 151.07508850097656 824.6548461914062 151.11062622070312 1353.232177734375 153.05419921875 3119.302490234375 153.0897674560547 322.6440734863281 153.12721252441406 274.2593078613281 155.0699920654297 986.9681396484375 155.08412170410156 706.4061889648438 155.10626220703125 515.8583374023438 156.07443237304688 747.2310180664062 156.10182189941406 283921.15625 157.08570861816406 1858.2330322265625 157.10401916503906 8040.5947265625 158.11752319335938 16198.2939453125 159.11575317382812 2112.675048828125 160.0956268310547 368.9262390136719 161.0959930419922 2413.818115234375 161.13197326660156 1101.4840087890625 163.07444763183594 1819.053466796875 163.11126708984375 3154.6689453125 163.14657592773438 445.7779846191406 165.09056091308594 1154.2803955078125 165.1269073486328 627.4288330078125 167.06942749023438 342.0736083984375 167.1063995361328 1015.1280517578125 169.0999298095703 993.1025390625 169.12030029296875 393.89044189453125 170.1169891357422 289.85614013671875 171.1165313720703 1551.419677734375 172.0964813232422 18132.7734375 173.09603881835938 2345.30810546875 173.13209533691406 1469.6409912109375 174.11276245117188 2695785.5 174.56088256835938 400.668701171875 174.58929443359375 587.9237060546875 174.615966796875 370.3675842285156 174.64195251464844 345.1110534667969 174.66192626953125 363.0609436035156 174.76182556152344 299.8483581542969 175.0019989013672 418.404052734375 175.1155242919922 66250.7265625 176.1275177001953 1189.160888671875 177.0908660888672 670.884765625 177.1261444091797 449.13037109375 179.10629272460938 1261.94140625 181.0869598388672 1351.54248046875 181.1211395263672 316.8911437988281 183.10165405273438 1809.6171875 183.1136474609375 1120.699462890625 185.095703125 704.5304565429688 185.1314697265625 1596.453857421875 187.11111450195312 677.5717163085938 187.1475372314453 1775.4033203125 189.08999633789062 592.9854125976562 189.127197265625 2873.440185546875 190.13783264160156 314.4693908691406 191.10614013671875 8517.4853515625 191.1429901123047 1662.5328369140625 192.12303161621094 7239.10888671875 193.0855255126953 449.31524658203125 193.12168884277344 2351.8798828125 193.15895080566406 465.10174560546875 195.1046142578125 1563.6981201171875 197.1167449951172 583.0157470703125 197.13148498535156 1273.3056640625 199.1475830078125 1247.1907958984375 201.0896453857422 657.9476318359375 201.12818908691406 410.4517822265625 201.1621856689453 758.4988403320312 203.10630798339844 967.0720825195312 203.14295959472656 1403.1871337890625 205.1217041015625 951.7976684570312 205.1577606201172 603.8128051757812 207.10386657714844 1054.8360595703125 207.13787841796875 1251.176513671875 209.11782836914062 2957.237060546875 209.14883422851562 549.2353515625 210.1392364501953 316.3210144042969 211.14634704589844 1072.656982421875 213.1265106201172 763.2098999023438 213.16390991210938 1205.026611328125 214.1438446044922 6684.90380859375 215.10549926757812 398.6024475097656 215.14198303222656 2093.214111328125 215.18069458007812 792.5955200195312 217.12205505371094 801.419189453125 217.15818786621094 572.8313598632812 219.1011505126953 4773.052734375 219.1345672607422 959.1575317382812 221.1184539794922 511.773681640625 221.15298461914062 713.3099975585938 223.10971069335938 403.75 223.14773559570312 832.6131591796875 225.11985778808594 723.94384765625 225.16372680664062 1953.41357421875 226.1680450439453 363.363037109375 227.14447021484375 963.8793334960938 227.17864990234375 1363.8160400390625 229.1236114501953 361.6448059082031 229.15911865234375 970.03076171875 232.1540985107422 29914.072265625 233.1189727783203 937.5689086914062 233.15626525878906 1848.1204833984375 235.09783935546875 397.5631103515625 235.14540100097656 786.7783203125 237.11216735839844 2223.978759765625 237.16384887695312 826.833984375 239.14303588867188 830.2691650390625 239.1788330078125 625.4566040039062 241.15834045410156 726.4156494140625 243.13604736328125 659.3403930664062 243.1732635498047 1119.9232177734375 245.15599060058594 460.58929443359375 245.18994140625 491.14892578125 247.09542846679688 366.6173095703125 247.13119506835938 966.609375 249.11460876464844 453.67535400390625 249.16175842285156 394.2250061035156 251.13690185546875 512.1746215820312 251.1813507080078 546.9335327148438 253.12176513671875 332.9417724609375 253.16075134277344 737.8524780273438 253.19503784179688 1129.1572265625 255.1345672607422 864.5510864257812 255.17413330078125 1031.2784423828125 256.1744689941406 276.1520080566406 257.1523132324219 768.9740600585938 257.1899719238281 473.5989685058594 258.1633605957031 307.73486328125 259.1299133300781 292.1581726074219 259.1692199707031 1044.89794921875 261.1565246582031 399.4794616699219 261.1853942871094 425.71075439453125 262.166259765625 352.8775634765625 263.12957763671875 282.03570556640625 263.176025390625 609.6814575195312 265.1946105957031 737.0106201171875 267.1364440917969 297.9732971191406 267.1728515625 1017.177978515625 267.21063232421875 579.91796875 269.1506042480469 288.027587890625 271.1681213378906 1368.00048828125 273.1463317871094 884.843505859375 273.18524169921875 468.5097961425781 275.1667785644531 354.6016540527344 276.1806640625 10280.0771484375 277.18701171875 699.904052734375 279.1693420410156 319.80072021484375 281.1541748046875 347.5625 281.18927001953125 753.8525390625 283.1685485839844 380.4462890625 283.2051086425781 472.3622741699219 285.148681640625 726.5313720703125 285.182861328125 1547.4635009765625 285.22198486328125 584.7078247070312 287.1636657714844 424.6282653808594 289.1436462402344 440.0380859375 289.17584228515625 738.4711303710938 289.21295166015625 310.93389892578125 291.1589660644531 291.5537414550781 291.2106018066406 354.3379211425781 293.1883544921875 366.17279052734375 295.1704406738281 790.0632934570312 295.2074279785156 905.7108154296875 297.1845397949219 378.156982421875 297.220947265625 417.4545593261719 299.1643981933594 381.0313415527344 299.201171875 771.4912109375 300.17999267578125 391.8616027832031 301.1788024902344 365.7691650390625 301.2153015136719 808.2122192382812 303.1590576171875 277.4083251953125 303.19598388671875 927.2252197265625 303.2243957519531 297.2688293457031 305.1838073730469 383.18267822265625 307.2057800292969 1094.724365234375 309.1829528808594 348.5087585449219 311.1624450683594 386.0800476074219 311.19927978515625 976.8126831054688 313.1797790527344 2197.31298828125 313.2165222167969 2120.135986328125 315.19940185546875 305.283447265625 315.23095703125 457.8818359375 317.2106018066406 412.82452392578125 318.1909484863281 13459.4365234375 319.19293212890625 1079.3160400390625 320.17303466796875 307.7372741699219 321.168701171875 387.544921875 321.2373962402344 330.55560302734375 323.19927978515625 1353.86181640625 325.2170104980469 1304.40625 327.1943664550781 465.58740234375 327.2319030761719 2101.936767578125 329.2110595703125 532.240234375 331.1896667480469 4423.625 331.2249755859375 2989.0625 333.2065734863281 583.6373901367188 335.2004699707031 1315.13134765625 337.216796875 865.7484130859375 341.2110290527344 2908.55126953125 343.22711181640625 1518.9173583984375 345.2031555175781 506.079833984375 345.24224853515625 1559.6317138671875 348.2018127441406 3658.904541015625 353.2105407714844 3621.45947265625 355.2253112792969 775.559814453125 359.2216491699219 5096.0068359375 360.22210693359375 363.43212890625 361.2372741699219 632.2000122070312 371.22137451171875 8003.10205078125 372.2238464355469 656.259765625 373.2371520996094 2823.77734375 377.231201171875 2676.889404296875 389.2322082519531 12036.1787109375 390.2351379394531 820.0944213867188 391.2476806640625 1480.7181396484375 407.24212646484375 6849.17236328125 408.2457275390625 697.8786010742188 409.2555847167969 479.90948486328125 425.25274658203125 491.7162780761719 580.3470458984375 1610.165771484375 582.3631591796875 702.1531372070312 596.3413696289062 998.0619506835938 598.3582763671875 13973.4638671875 599.3603515625 1100.2509765625 754.4334106445312 1818.4473876953125 770.4351806640625 756.2772216796875 772.447509765625 37139.1015625 773.4503173828125 5654.8515625 916.5256958007812 8728.1376953125 917.5269775390625 586.0692749023438 END IONS BEGIN IONS TITLE=CCMSLIB00005723239 PEPMASS=436.060074 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=20.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_B5_Aztreonam.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Aztreonam_20eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\c2csc(N)n2)C(=O)N1S(O)(=O)=O INCHI=InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1 INCHIAUX=WZPBZJONDBGPKJ-VEHQQRBSSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723239 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723239 SCANS=60278 59.04865646362305 307.8999938964844 62.1197624206543 55.969261169433594 67.03215789794922 51.246952056884766 71.99053955078125 172.40481567382812 74.02360534667969 46.727272033691406 83.98999786376953 135.88970947265625 96.05257415771484 32.04941940307617 99.00013732910156 169.72071838378906 99.01256561279297 192.449462890625 99.05420684814453 365.7871398925781 99.09147644042969 11.009614944458008 110.58920288085938 25.125 113.01264190673828 57.56006622314453 124.04975128173828 188.35202026367188 125.00334167480469 180.2579803466797 126.01144409179688 4012.24755859375 126.05665588378906 40.03409194946289 126.54769897460938 44.27364730834961 127.01925659179688 1326.4449462890625 127.0495834350586 340.6746826171875 128.02606201171875 108.1361083984375 128.056396484375 53.39612579345703 135.06195068359375 95.21875 138.009765625 466.623291015625 138.99429321289062 121.54017639160156 141.0132598876953 17.59558868408203 142.00643920898438 434.8596496582031 142.04237365722656 20.019229888916016 152.0284423828125 37.107757568359375 153.02310180664062 429.72088623046875 153.0627899169922 10.024999618530273 154.0045166015625 44.24795150756836 155.01414489746094 672.1755981445312 155.0378875732422 361.4605407714844 156.02096557617188 378.78863525390625 161.87265014648438 196.23875427246094 165.4713897705078 24.671297073364258 166.03033447265625 1510.7698974609375 166.08750915527344 27.100807189941406 166.23074340820312 14.0054349899292 171.0326385498047 2189.3076171875 171.2244110107422 28.14285659790039 172.0354461669922 143.59458923339844 173.20828247070312 69.3829345703125 179.0352325439453 57.11136245727539 181.01702880859375 2508.34228515625 181.84341430664062 48.125 182.0249786376953 3853.525634765625 182.0904083251953 24.375 182.11048889160156 50.13224792480469 182.43858337402344 29.654069900512695 183.03273010253906 11895.8544921875 183.10650634765625 51.246952056884766 183.1663055419922 16.071428298950195 183.42855834960938 12.556818008422852 183.4954376220703 54.03125 183.58010864257812 12.024999618530273 183.60211181640625 19.450000762939453 183.62745666503906 55.04960250854492 183.7212677001953 28.0049991607666 183.81924438476562 16.471153259277344 184.0361328125 1053.388427734375 184.2454833984375 28.28017234802246 191.2211456298828 10.875 193.99880981445312 163.21337890625 199.02760314941406 4044.582763671875 199.0901336669922 35.32236862182617 200.0486602783203 516.0052490234375 206.0478973388672 113.08686065673828 207.03256225585938 158.39239501953125 207.06703186035156 80.66666412353516 207.3779296875 37.82045364379883 208.04876708984375 37.662235260009766 209.01231384277344 17653.943359375 209.0476531982422 3823.002197265625 209.12274169921875 33.78125 209.16949462890625 13.25 209.20260620117188 25.350000381469727 209.28317260742188 14.041666984558105 209.3277130126953 15.022727012634277 209.34353637695312 40.6363639831543 209.36817932128906 72.49390411376953 209.66952514648438 50.03845977783203 209.77325439453125 46.25 209.8203582763672 42.16071319580078 210.0198974609375 43529.4140625 210.23301696777344 13.148809432983398 210.26405334472656 49.570945739746094 210.31700134277344 44.349998474121094 210.3538818359375 16.440217971801758 210.38409423828125 27.02083396911621 210.40023803710938 43.69551467895508 210.42697143554688 85.625 210.45529174804688 16.0625 210.47476196289062 31.215425491333008 210.5105438232422 57.34417724609375 210.5603485107422 41.032142639160156 210.5906524658203 15.004630088806152 210.6486053466797 12.0 210.67127990722656 13.006579399108887 210.70152282714844 26.100807189941406 210.7317657470703 23.0 210.75543212890625 27.0 210.83770751953125 15.266304016113281 210.8861846923828 53.890625 210.92987060546875 18.480262756347656 211.02320861816406 1673.00048828125 211.08270263671875 237.0050048828125 211.1251678466797 25.803571701049805 211.23110961914062 21.390625 211.61962890625 58.066490173339844 212.17843627929688 25.0 223.0641632080078 391.4090576171875 224.06332397460938 321.9356384277344 224.87623596191406 49.59375 225.0408935546875 45.375 226.01568603515625 161.52432250976562 226.36647033691406 13.78125 226.99087524414062 248.03810119628906 227.0228271484375 7154.5712890625 227.08505249023438 50.03571319580078 227.49575805664062 16.053571701049805 228.01980590820312 43.716270446777344 228.0430450439453 74.55105590820312 228.118896484375 12.284090995788574 228.37022399902344 11.347222328186035 236.0779266357422 222.69317626953125 238.1021270751953 49.59558868408203 239.0582733154297 452.87335205078125 250.3931121826172 62.042808532714844 252.05380249023438 156.24853515625 253.0403594970703 829.3392944335938 253.10205078125 18.049999237060547 253.66757202148438 13.225000381469727 267.05401611328125 125.51087188720703 268.0578308105469 54.153846740722656 268.8821105957031 25.52083396911621 269.06976318359375 6732.7470703125 269.17303466796875 40.33333206176758 269.35113525390625 28.272727966308594 269.5320129394531 20.0 269.86285400390625 39.38461685180664 270.0657043457031 6818.17919921875 270.1380615234375 64.13587188720703 270.2842102050781 32.29166793823242 270.4416809082031 28.893518447875977 270.495361328125 15.47115421295166 270.6848449707031 30.206632614135742 271.0679931640625 888.4963989257812 271.35394287109375 25.941177368164062 272.018798828125 168.1124267578125 273.12542724609375 63.782535552978516 277.18450927734375 17.28125 285.064453125 5292.61474609375 285.1789245605469 18.360294342041016 286.06732177734375 327.54827880859375 295.0476989746094 106.92045593261719 308.30029296875 19.1488094329834 310.0958251953125 195.06448364257812 310.7972106933594 35.671295166015625 311.0881652832031 150.66944885253906 311.68121337890625 11.0 312.0897521972656 30.08333396911621 312.8959045410156 10.47115421295166 312.9515075683594 40.449466705322266 312.9883728027344 49.08333206176758 313.0597839355469 100150.5078125 313.6018981933594 47.960105895996094 313.6262512207031 33.556034088134766 313.6708679199219 14.666666984558105 313.69525146484375 39.53260803222656 313.7520751953125 108.47272491455078 313.8350524902344 29.899999618530273 313.9254150390625 45.0 313.9972839355469 38.032142639160156 314.0333251953125 69.05296325683594 314.0622863769531 6799.611328125 314.13653564453125 47.59558868408203 314.17523193359375 72.01541137695312 314.208984375 38.375 314.2958679199219 25.5625 314.3413391113281 39.0239372253418 314.3784484863281 24.816667556762695 314.5442199707031 22.14285659790039 314.6934814453125 11.77884578704834 314.817138671875 33.5 314.9011535644531 17.009614944458008 315.0213317871094 52.408782958984375 315.1007385253906 33.1136360168457 315.40234375 12.199999809265137 316.0715637207031 35.80500030517578 316.2593078613281 10.125 317.816162109375 44.14881134033203 327.3847961425781 21.125 337.6358947753906 20.02083396911621 355.8760986328125 47.25 355.9741516113281 94.171875 356.1023864746094 1697.6673583984375 356.1590881347656 22.33333396911621 357.10198974609375 95.00192260742188 357.88885498046875 14.027777671813965 388.64239501953125 17.657608032226562 401.6744384765625 50.36007308959961 520.6631469726562 33.002193450927734 672.8409423828125 12.875 682.3909912109375 38.08695602416992 730.9100341796875 38.05555725097656 798.0014038085938 46.67045593261719 835.8055419921875 39.061275482177734 901.2796020507812 20.008333206176758 1043.9931640625 35.33611297607422 1116.0252685546875 22.0 1236.7174072265625 26.265625 1427.5250244140625 31.852272033691406 1565.5013427734375 15.004630088806152 1703.29931640625 15.266304016113281 1882.867919921875 38.181819915771484 END IONS BEGIN IONS TITLE=CCMSLIB00005723240 PEPMASS=436.060074 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=40.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_B5_Aztreonam.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Aztreonam_40eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\c2csc(N)n2)C(=O)N1S(O)(=O)=O INCHI=InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1 INCHIAUX=WZPBZJONDBGPKJ-VEHQQRBSSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723240 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723240 SCANS=60611 55.02833938598633 618.6427612304688 55.057769775390625 17.0049991607666 55.215755462646484 24.57065200805664 55.25646209716797 45.246952056884766 55.51347732543945 10.920454978942871 56.01329803466797 2826.58056640625 56.049434661865234 492.00140380859375 56.07857894897461 10.920454978942871 56.228179931640625 40.52155303955078 56.259803771972656 10.0 57.021080017089844 3658.847412109375 57.13622283935547 18.225000381469727 58.00560760498047 36.68055725097656 58.02997970581055 318.3613586425781 58.058082580566406 12.007352828979492 59.049407958984375 5300.76708984375 59.085365295410156 56.03571319580078 59.17223358154297 27.96982765197754 59.270530700683594 36.38888931274414 59.691490173339844 29.38888931274414 60.052127838134766 103.43868255615234 67.02848052978516 381.642578125 67.04385375976562 30.00657844543457 67.06527709960938 6.125 68.01341247558594 384.88592529296875 68.02261352539062 236.00315856933594 68.03538513183594 202.8164825439453 69.03324890136719 174.32545471191406 69.04498291015625 275.0416564941406 69.0748291015625 5.0 69.08348846435547 5.017857074737549 70.02899932861328 275.2461853027344 70.99415588378906 516.5562133789062 71.02324676513672 184.79638671875 71.06038665771484 249.2138671875 71.989990234375 605.2384033203125 72.02049255371094 16.035715103149414 72.9972152709961 151.95294189453125 73.02143859863281 5.375 79.02743530273438 71.41000366210938 80.9759750366211 59.0476188659668 81.04322052001953 407.98114013671875 82.03858184814453 244.56056213378906 82.0530014038086 208.0948028564453 83.02527618408203 103.55577087402344 83.98963928222656 619.125 84.03711700439453 7.25 84.21697998046875 15.011363983154297 84.5435562133789 25.840909957885742 84.99685668945312 114.77941131591797 86.00545501708984 217.6783447265625 86.53160858154297 11.28125 87.04354858398438 777.9448852539062 87.08316802978516 11.25 87.31727600097656 51.58064651489258 88.04537963867188 33.136112213134766 91.54906463623047 26.81818199157715 92.0247573852539 70.54166412353516 94.03954315185547 186.686279296875 94.07967376708984 9.125 95.02371978759766 230.45782470703125 95.0478744506836 103.0051040649414 95.98902130126953 260.15240478515625 96.02532196044922 32.149391174316406 96.05565643310547 439.8345642089844 96.09504699707031 11.333333015441895 97.0390853881836 344.025634765625 97.08186340332031 9.0625 97.99246978759766 172.09886169433594 98.00493621826172 221.57220458984375 98.2326431274414 6.0 99.00015258789062 972.9649658203125 99.05438232421875 459.09783935546875 99.08401489257812 10.347222328186035 100.00810241699219 903.6998291015625 100.05475616455078 10.027777671813965 101.01587677001953 255.00064086914062 101.05413055419922 15.25 102.05533599853516 797.3535766601562 106.04104614257812 259.5813293457031 106.0877685546875 6.75 107.04708862304688 181.80198669433594 107.06063842773438 59.17499923706055 108.05595397949219 322.8352355957031 108.08702087402344 15.0625 109.03646850585938 145.68003845214844 109.05123901367188 264.5423889160156 109.1011734008789 7.0 110.00505828857422 346.6173095703125 110.03732299804688 11.68055534362793 110.07130432128906 69.24500274658203 111.0009536743164 1849.0833740234375 111.06575012207031 85.79255676269531 111.08903503417969 8.446428298950195 111.42066192626953 23.80500030517578 112.00688934326172 19.363636016845703 112.33425903320312 44.0 113.01692962646484 1477.4066162109375 113.05702209472656 20.91847801208496 113.18973541259766 16.0592098236084 114.01171112060547 983.2275390625 114.05216217041016 37.19047546386719 114.99524688720703 255.1276397705078 115.66714477539062 34.022727966308594 116.0263900756836 184.1129608154297 116.05976104736328 10.142857551574707 120.74652099609375 166.1325225830078 121.04936981201172 101.69551086425781 122.06871795654297 254.52919006347656 122.11091613769531 19.04166603088379 123.0010986328125 653.5056762695312 123.05308532714844 31.765625 124.0093765258789 460.50531005859375 124.05030059814453 3369.302978515625 124.10296630859375 38.34913635253906 124.33970642089844 6.4464287757873535 125.00350952148438 2507.369140625 125.04761505126953 27.005952835083008 125.08458709716797 18.242647171020508 125.34459686279297 6.4464287757873535 125.52530670166016 21.242647171020508 126.01168823242188 50545.06640625 126.19583129882812 21.225000381469727 126.2371597290039 68.08333587646484 126.24787139892578 61.85105895996094 126.26348876953125 54.64875411987305 126.31173706054688 105.06372833251953 126.36508178710938 45.53779220581055 126.46673583984375 16.720237731933594 126.53718566894531 64.89189147949219 126.72771453857422 45.0 126.83012390136719 8.041666984558105 126.9944839477539 258.191162109375 127.01925659179688 38863.89453125 127.17003631591797 38.281978607177734 127.2011947631836 87.04090881347656 127.23367309570312 46.46154022216797 127.26774597167969 12.183823585510254 127.30511474609375 65.92628479003906 127.34234619140625 37.306819915771484 127.37745666503906 14.024999618530273 127.49505615234375 20.30769157409668 127.50682067871094 39.471153259277344 127.5625991821289 32.005950927734375 127.5793685913086 21.125 127.64801788330078 9.086538314819336 127.72280883789062 41.59438705444336 127.76969146728516 5.160714149475098 128.02639770507812 2068.545654296875 128.06793212890625 31.844999313354492 128.17820739746094 20.0 128.43124389648438 10.050000190734863 129.02090454101562 5.0 130.15936279296875 10.0 132.04017639160156 69.76417541503906 132.05667114257812 142.6955108642578 134.0589141845703 83.47169494628906 135.06732177734375 87.4000015258789 135.99447631835938 116.9756088256836 136.39669799804688 6.0 137.9837646484375 67.5999984741211 138.0117950439453 3390.189208984375 138.0647735595703 234.00228881835938 138.075439453125 129.77554321289062 138.1000213623047 8.446428298950195 138.99560546875 2421.20458984375 139.01904296875 1471.870849609375 139.67868041992188 45.761905670166016 140.0292510986328 361.228515625 140.0792694091797 7.0625 141.0116729736328 875.2023315429688 141.98635864257812 139.0454559326172 142.00643920898438 10964.6865234375 142.07591247558594 146.79669189453125 142.15243530273438 19.68055534362793 142.20484924316406 22.6875 142.29527282714844 20.02083396911621 142.3239288330078 34.003379821777344 142.77145385742188 30.2450008392334 142.7966766357422 47.40192413330078 142.84225463867188 29.8810977935791 142.9176025390625 10.666666984558105 143.0060272216797 315.95062255859375 143.3406982421875 26.04166603088379 143.47999572753906 22.25 147.06410217285156 189.265625 149.08070373535156 186.14244079589844 149.13113403320312 5.083333492279053 150.06349182128906 111.77127838134766 150.55996704101562 20.28125 151.0067138671875 264.5 151.01925659179688 238.73719787597656 151.0454559326172 27.014705657958984 151.99046325683594 64.08928680419922 152.02735900878906 2917.1484375 152.08428955078125 28.003570556640625 152.5218048095703 25.350000381469727 152.6543731689453 21.235294342041016 153.02496337890625 2413.014892578125 153.09230041503906 36.1184196472168 153.60519409179688 39.66666793823242 153.83726501464844 21.16666603088379 154.00636291503906 1031.2410888671875 154.02952575683594 709.9356079101562 154.05963134765625 168.5048065185547 154.48728942871094 65.04762268066406 155.01475524902344 1322.1484375 155.22518920898438 89.81481170654297 155.49839782714844 15.375 156.022216796875 3181.38916015625 156.07000732421875 48.918479919433594 156.15150451660156 5.5 156.3967742919922 43.061275482177734 156.4619140625 15.04891300201416 156.57052612304688 42.07500076293945 156.63612365722656 12.675000190734863 157.02557373046875 387.03509521484375 157.0756378173828 5.333333492279053 161.03564453125 226.964599609375 161.06907653808594 14.074999809265137 161.46595764160156 9.007352828979492 163.00697326660156 630.4033203125 163.1603546142578 29.11842155456543 164.02627563476562 36.5 164.3205108642578 16.796052932739258 165.02101135253906 325.7230529785156 165.0711212158203 212.92071533203125 165.46157836914062 14.148809432983398 166.00836181640625 211.2301025390625 166.03045654296875 11807.529296875 166.1146697998047 7.083333492279053 166.1283721923828 19.005952835083008 166.29791259765625 21.132352828979492 166.41835021972656 22.125 166.62515258789062 19.48214340209961 167.03311157226562 829.748779296875 167.08248901367188 7.0 167.2306365966797 22.0625 167.32044982910156 10.03125 167.4282684326172 9.240385055541992 167.59805297851562 19.200000762939453 168.01788330078125 90.05921173095703 168.044189453125 158.23880004882812 169.01779174804688 114.14673614501953 170.00071716308594 86.0 171.0341796875 2118.363525390625 171.09619140625 27.604999542236328 172.02622985839844 35.18560791015625 177.03887939453125 249.4475555419922 177.1031494140625 6.0 179.03543090820312 481.5266418457031 179.08636474609375 8.024999618530273 180.03155517578125 177.53099060058594 181.0172882080078 1209.3597412109375 181.0541229248047 245.99209594726562 181.51109313964844 13.035714149475098 181.6522674560547 7.347222328186035 181.97923278808594 10.125 182.02516174316406 5626.9345703125 182.0927734375 51.48214340209961 182.13853454589844 52.099998474121094 182.39637756347656 15.0054349899292 182.72952270507812 47.31034469604492 183.0328826904297 17018.546875 183.0879669189453 204.00143432617188 183.1654815673828 62.49127960205078 183.18128967285156 66.0317153930664 183.1995086669922 18.01388931274414 183.22857666015625 6.333333492279053 183.27029418945312 23.125 183.3406982421875 15.408333778381348 183.43128967285156 38.57065200805664 183.44769287109375 24.009614944458008 183.59205627441406 54.025001525878906 183.6271514892578 25.3125 183.6645050048828 44.06666564941406 183.86988830566406 57.125 183.8954620361328 13.007352828979492 184.01333618164062 241.4375 184.0366973876953 860.4400634765625 184.10743713378906 5.0 186.9976348876953 18.75 190.99969482421875 86.80555725097656 191.03955078125 32.04166793823242 192.022216796875 463.1488037109375 192.98287963867188 155.3968048095703 193.01638793945312 169.00735473632812 193.03660583496094 90.46944427490234 193.05502319335938 38.32692337036133 194.04794311523438 134.00978088378906 196.0168914794922 238.00833129882812 196.05563354492188 41.03409194946289 198.01744079589844 54.625 199.00082397460938 44.625 199.0280303955078 3379.47802734375 199.5145263671875 9.800000190734863 200.04808044433594 299.1486511230469 206.0490264892578 764.53271484375 206.1049041748047 6.160714149475098 207.03457641601562 575.2072143554688 207.27793884277344 29.002450942993164 207.8657989501953 26.25 209.01239013671875 16449.201171875 209.0479736328125 4217.46240234375 209.1035919189453 43.20454406738281 209.14187622070312 17.0049991607666 209.218505859375 230.14678955078125 209.2637176513672 7.125 209.3227081298828 46.35805130004883 209.38710021972656 21.69444465637207 209.50355529785156 5.083333492279053 209.52049255371094 14.285714149475098 209.58905029296875 27.473684310913086 209.6367645263672 16.446428298950195 209.7197723388672 22.038793563842773 209.75892639160156 40.32236862182617 209.976318359375 39.23269271850586 210.01976013183594 15666.7666015625 210.0749053955078 210.52354431152344 210.16783142089844 34.25 210.21707153320312 25.81818199157715 210.38909912109375 26.30769157409668 210.4091033935547 12.166666984558105 210.43446350097656 19.02083396911621 210.46456909179688 41.21052551269531 210.52943420410156 93.65398406982422 210.56771850585938 33.77777862548828 210.60586547851562 28.5625 210.67127990722656 17.226852416992188 210.75454711914062 62.38563919067383 210.9282989501953 49.4375 211.0234832763672 464.3197326660156 211.05654907226562 141.7896270751953 211.080078125 44.04499816894531 211.11000061035156 6.125 211.19578552246094 15.363636016845703 211.37594604492188 29.446428298950195 212.11521911621094 16.33333396911621 220.54708862304688 14.0 221.01373291015625 32.01785659790039 223.06143188476562 80.6449966430664 224.0321502685547 203.5267333984375 224.05848693847656 290.77166748046875 224.109130859375 7.025000095367432 224.3173065185547 7.199999809265137 225.06332397460938 222.3511505126953 227.02279663085938 2579.877197265625 227.0861358642578 20.0 227.19300842285156 68.3268051147461 227.38397216796875 11.5625 227.63223266601562 10.284090995788574 229.13931274414062 51.33552551269531 231.54122924804688 5.0 234.84068298339844 137.54678344726562 234.88201904296875 12.0 235.02622985839844 68.1118392944336 240.0625 75.9227523803711 252.8560028076172 123.16889190673828 253.03868103027344 570.3024291992188 253.09823608398438 11.011363983154297 253.1229705810547 7.199999809265137 253.49642944335938 26.560184478759766 254.06625366210938 17.532894134521484 269.06915283203125 437.6414794921875 269.1445007324219 5.013888835906982 269.31671142578125 10.666666984558105 270.0624694824219 39.36000061035156 278.8697814941406 50.39612579345703 283.2761535644531 76.31529998779297 283.9902038574219 15.225000381469727 285.060302734375 111.67781829833984 296.8963623046875 19.02083396911621 313.0595703125 382.2398681640625 314.0621643066406 85.55585479736328 314.2676696777344 35.469444274902344 362.0658264160156 33.36000061035156 382.56634521484375 40.19758224487305 413.0841064453125 48.225746154785156 437.304931640625 31.16666603088379 513.131591796875 25.803571701049805 571.3208618164062 35.136112213134766 641.4649047851562 9.5 651.6586303710938 19.022727966308594 658.4218139648438 50.0 684.8606567382812 36.321807861328125 689.53076171875 65.25640869140625 804.9451904296875 42.65681838989258 810.955810546875 32.061275482177734 822.2481079101562 23.022727966308594 930.6309814453125 56.0 943.1198120117188 23.907258987426758 997.4345092773438 17.100000381469727 1001.0238647460938 7.0 1106.2911376953125 105.08000183105469 1111.6099853515625 47.0703125 1139.675048828125 26.387821197509766 1243.1851806640625 27.005952835083008 1330.21044921875 10.68055534362793 1558.447265625 11.005952835083008 1655.446044921875 36.011905670166016 1656.08740234375 23.875 1737.375732421875 11.008333206176758 1810.2174072265625 144.21621704101562 1878.185302734375 18.125 1966.7628173828125 26.44444465637207 END IONS BEGIN IONS TITLE=CCMSLIB00005723241 PEPMASS=436.060074 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=50.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_B5_Aztreonam.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Aztreonam_50eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\c2csc(N)n2)C(=O)N1S(O)(=O)=O INCHI=InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1 INCHIAUX=WZPBZJONDBGPKJ-VEHQQRBSSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723241 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723241 SCANS=60943 51.93994140625 52.896278381347656 53.026634216308594 57.444671630859375 54.03352355957031 317.769775390625 55.02910614013672 1395.159423828125 56.01316833496094 3422.48486328125 56.04987335205078 1040.98779296875 56.08009338378906 17.049999237060547 56.19454574584961 34.34913635253906 56.97910690307617 117.96969604492188 57.021209716796875 4747.544921875 57.05126190185547 82.33611297607422 57.08064651489258 41.810001373291016 57.22499465942383 11.035714149475098 57.267032623291016 26.0 57.317344665527344 41.125 58.99399185180664 168.3776092529297 59.04948806762695 5816.10400390625 59.1611213684082 25.69230842590332 59.181819915771484 62.36742401123047 59.305625915527344 38.09423065185547 59.35912322998047 13.090909004211426 59.46083068847656 27.235294342041016 59.6997184753418 59.792911529541016 59.98880386352539 58.76041793823242 60.08134460449219 12.675000190734863 67.02995300292969 1105.016357421875 67.06127166748047 13.47115421295166 67.40815734863281 26.1875 68.01215362548828 265.3491516113281 68.03626251220703 898.0719604492188 69.031982421875 136.57470703125 69.04402923583984 1174.2540283203125 69.20475769042969 27.259614944458008 69.22209167480469 12.074999809265137 69.27113342285156 12.5 69.90579986572266 83.1602554321289 70.02869415283203 259.9527587890625 70.08280181884766 9.050000190734863 70.9940185546875 191.90548706054688 71.05998229980469 701.2633056640625 71.09483337402344 18.08333396911621 71.99022674560547 2386.82177734375 72.02327728271484 59.04166793823242 72.1980972290039 7.5625 72.3990249633789 61.12126922607422 72.92288208007812 26.04166603088379 74.00482940673828 201.56689453125 79.0280532836914 165.898193359375 80.04840850830078 199.56300354003906 80.199951171875 10.074999809265137 81.04420471191406 749.1265869140625 81.07929229736328 12.008333206176758 83.02374267578125 621.442626953125 83.059814453125 290.4029846191406 83.47620391845703 19.071428298950195 83.99006652832031 1615.3077392578125 84.00704193115234 832.9003295898438 84.03065490722656 157.0 84.22981262207031 9.240385055541992 84.25536346435547 14.5328950881958 84.3131332397461 14.889705657958984 84.77873992919922 9.125 85.01187896728516 68.55146789550781 85.0300521850586 79.375 86.06024169921875 136.80384826660156 87.04338836669922 593.9671630859375 89.56700897216797 26.004629135131836 93.04450988769531 485.0047607421875 94.03946685791016 1038.9609375 94.09217834472656 39.0703125 94.39204406738281 27.009614944458008 95.0235595703125 2876.605224609375 95.05924224853516 425.53839111328125 95.08507537841797 25.019229888916016 95.11176300048828 10.027777671813965 95.12235260009766 26.005952835083008 95.17120361328125 57.456817626953125 95.19684600830078 20.25 95.51907348632812 40.17499923706055 95.98838806152344 183.53919982910156 96.05547332763672 215.9322509765625 96.09339141845703 7.011363506317139 97.03868103027344 661.2509765625 97.9752426147461 47.375 97.99272918701172 240.6610107421875 98.00419616699219 530.9219360351562 98.04010772705078 8.01388931274414 99.00069427490234 5444.33544921875 99.05438995361328 838.4186401367188 99.09459686279297 8.347222328186035 99.1220932006836 67.27365112304688 99.36820220947266 28.173913955688477 99.44783020019531 8.01388931274414 100.00823974609375 5429.93017578125 100.04817962646484 90.01960754394531 100.46196746826172 86.59274291992188 100.60563659667969 16.53125 100.8482666015625 12.11111068725586 100.99263763427734 181.02499389648438 101.01416015625 319.77813720703125 102.0523681640625 132.79226684570312 105.04389190673828 237.9250030517578 105.09406280517578 7.041666507720947 105.7143783569336 28.149391174316406 107.04840087890625 553.0845336914062 107.26599884033203 32.04941940307617 108.05518341064453 816.4638061523438 108.10195922851562 13.225000381469727 108.98521423339844 100.40760803222656 109.05088806152344 243.60208129882812 110.00526428222656 224.45782470703125 110.06036376953125 7.0 111.00096130371094 1955.3656005859375 111.06806182861328 77.0367660522461 111.62139892578125 27.045454025268555 112.00294494628906 179.82102966308594 113.01657104492188 904.1426391601562 113.2266845703125 7.013888835906982 114.01280212402344 826.4140014648438 114.04474639892578 25.0049991607666 114.27106475830078 34.014705657958984 114.30992889404297 7.875 114.995849609375 47.0844612121582 115.03047943115234 37.8125 115.37621307373047 13.44444465637207 118.9376220703125 150.8008575439453 120.05411529541016 152.79905700683594 120.83647918701172 30.964284896850586 121.06316375732422 633.8824462890625 121.10762786865234 26.197580337524414 122.0572738647461 298.5806579589844 122.09172821044922 14.006579399108887 123.00064849853516 121.28555297851562 123.01815032958984 181.01333618164062 123.05439758300781 478.7590637207031 123.08644104003906 19.242647171020508 123.12051391601562 15.125 124.0084457397461 2456.612060546875 124.05052185058594 1539.96826171875 124.10248565673828 33.244998931884766 124.13204956054688 81.14286041259766 124.16885375976562 7.025000095367432 124.28209686279297 30.225000381469727 125.0036392211914 10155.4873046875 125.05950164794922 66.2272720336914 125.2532958984375 23.571428298950195 125.44874572753906 23.30769157409668 126.0116958618164 57130.453125 126.24336242675781 13.03125 126.26634216308594 67.9184799194336 126.2798843383789 79.9259262084961 126.31564331054688 11.75 126.33320617675781 18.375 126.3675308227539 98.9798355102539 126.3775863647461 65.77822875976562 126.42125701904297 22.004629135131836 126.4617691040039 54.10714340209961 126.50467681884766 13.017857551574707 126.52420043945312 56.07143020629883 126.6094741821289 41.08012771606445 126.82159423828125 8.284090995788574 126.85675048828125 26.0 126.95063018798828 25.149999618530273 126.99561309814453 1054.2891845703125 127.0194091796875 43218.3671875 127.18278503417969 28.57065200805664 127.23676300048828 59.173912048339844 127.25242614746094 59.0 127.2765884399414 47.60499954223633 127.2900390625 30.16666603088379 127.34284210205078 33.111488342285156 127.36213684082031 49.969261169433594 127.38529205322266 52.356014251708984 127.41272735595703 26.052631378173828 127.42076110839844 15.47115421295166 127.44935607910156 11.68055534362793 127.56429290771484 31.16666603088379 127.64078521728516 19.16666603088379 127.80043029785156 15.675000190734863 127.84425354003906 12.11111068725586 128.02609252929688 2680.267578125 128.06089782714844 53.224998474121094 128.09959411621094 6.017857074737549 128.17605590820312 40.138511657714844 128.330810546875 11.347222328186035 128.8751220703125 6.25 129.0721893310547 19.226852416992188 129.09596252441406 23.33333396911621 134.0184783935547 8.011363983154297 134.54090881347656 15.47115421295166 135.06689453125 174.28396606445312 135.6151123046875 30.273649215698242 135.8579864501953 9.0625 135.9959716796875 270.1888122558594 137.01559448242188 721.3350830078125 137.04393005371094 284.9813232421875 137.09124755859375 28.0 137.2822265625 33.3125 137.9839630126953 23.6875 138.01153564453125 3976.35595703125 138.0601043701172 38.375 138.38906860351562 7.625 138.64041137695312 18.005434036254883 138.99557495117188 2355.414306640625 139.01950073242188 1353.5426025390625 139.29537963867188 11.007352828979492 139.68939208984375 27.36742401123047 140.0264129638672 463.8351745605469 140.07923889160156 17.363636016845703 140.09495544433594 56.727272033691406 141.01119995117188 522.37255859375 141.60443115234375 20.04166603088379 142.00634765625 7869.353515625 142.0712890625 64.13500213623047 142.14585876464844 25.0 142.16407775878906 19.901315689086914 142.19140625 25.02616310119629 142.3067169189453 28.25 142.31979370117188 15.100000381469727 142.3676300048828 32.125 142.3943634033203 32.36890411376953 142.43167114257812 14.008333206176758 142.4855499267578 34.1655387878418 142.56224060058594 27.375 143.01364135742188 159.96304321289062 143.07492065429688 71.02777862548828 143.40382385253906 23.55769157409668 144.36106872558594 11.28125 146.055908203125 68.85851287841797 147.06468200683594 30.0 148.04896545410156 138.06349182128906 148.07357788085938 10.041666984558105 149.01693725585938 42.315216064453125 149.08082580566406 160.05262756347656 150.03038024902344 118.89627838134766 150.81509399414062 32.1655387878418 151.00775146484375 75.51136016845703 151.98985290527344 256.4545593261719 152.02699279785156 3780.1591796875 152.2684783935547 39.573978424072266 153.0216827392578 2264.584228515625 153.03280639648438 1661.780029296875 153.07862854003906 51.79999923706055 153.22982788085938 23.0 153.40635681152344 14.69444465637207 153.6298828125 32.96428680419922 154.00625610351562 762.3175048828125 154.0202178955078 547.2000122070312 154.04254150390625 850.1563110351562 154.08609008789062 15.571428298950195 154.65591430664062 36.0 154.78981018066406 34.1184196472168 155.01417541503906 1389.4090576171875 155.06210327148438 27.004629135131836 156.0220947265625 5819.55615234375 156.07720947265625 127.9632339477539 156.1016082763672 15.076923370361328 156.17103576660156 32.24038314819336 156.34788513183594 29.113636016845703 156.71914672851562 16.360294342041016 157.02279663085938 53.28947448730469 157.91604614257812 12.041666984558105 163.004638671875 186.3203125 164.02626037597656 178.39596557617188 165.01966857910156 112.18877410888672 165.07498168945312 119.24099731445312 165.53338623046875 27.36742401123047 166.00465393066406 211.44642639160156 166.03033447265625 15352.7939453125 166.123046875 31.02777862548828 166.24417114257812 24.015625 166.2755126953125 20.125 166.30239868164062 19.560184478759766 166.4092559814453 14.889705657958984 166.43675231933594 19.1358699798584 166.46395874023438 11.571428298950195 166.51148986816406 38.22282791137695 166.7684326171875 29.515243530273438 167.00709533691406 100.23676300048828 167.02752685546875 716.1875 167.05572509765625 102.0 167.0956268310547 7.083333492279053 169.9994659423828 120.24242401123047 171.03164672851562 682.1492919921875 171.5010986328125 35.70833206176758 171.81907653808594 20.28125 172.0338134765625 47.1184196472168 174.0771026611328 40.61249923706055 176.08335876464844 119.01323699951172 177.07615661621094 207.31639099121094 179.03839111328125 432.5408020019531 179.1099090576172 9.017857551574707 180.04531860351562 32.41666793823242 181.01792907714844 238.9430694580078 181.0526123046875 455.73724365234375 181.1043243408203 7.199999809265137 182.0011444091797 500.5283508300781 182.0265655517578 3002.67578125 182.08387756347656 51.11184310913086 182.2885284423828 29.0 182.31736755371094 55.247642517089844 182.43858337402344 28.045454025268555 182.74827575683594 27.125 183.03285217285156 4546.77880859375 183.09707641601562 38.6875 183.28790283203125 18.899999618530273 183.32142639160156 13.009614944458008 183.50955200195312 7.199999809265137 183.66009521484375 24.071428298950195 183.7542266845703 11.11111068725586 183.8245391845703 43.26041793823242 184.0347442626953 45.18560791015625 184.10751342773438 17.657608032226562 190.07293701171875 249.26304626464844 191.0059814453125 20.008333206176758 191.04019165039062 77.86206817626953 191.0794677734375 21.007352828979492 191.9883575439453 124.35526275634766 192.00772094726562 169.4792938232422 194.05075073242188 74.01786041259766 196.01585388183594 286.959228515625 199.02804565429688 1933.1331787109375 199.09307861328125 20.89285659790039 205.0492401123047 6.050000190734863 206.0496826171875 1014.18505859375 206.11610412597656 24.111841201782227 207.03326416015625 220.00242614746094 207.05113220214844 163.6885986328125 209.01211547851562 2929.229248046875 209.04855346679688 1676.2767333984375 209.11123657226562 16.0 209.2643585205078 17.65441131591797 209.28250122070312 38.79166793823242 210.01925659179688 2028.5538330078125 210.11251831054688 7.25 211.2544403076172 15.163461685180664 212.33779907226562 14.25 222.1546173095703 89.0 224.03652954101562 13.148809432983398 227.02159118652344 486.93524169921875 227.10816955566406 8.284090995788574 228.8651123046875 7.347222328186035 252.99880981445312 13.03125 253.03610229492188 43.782405853271484 255.7559356689453 30.56818199157715 256.83056640625 127.8519515991211 281.1354675292969 25.52083396911621 289.75982666015625 22.367647171020508 301.1529846191406 21.625 302.3480224609375 11.28125 313.0572204589844 161.3733673095703 313.1051940917969 11.102272987365723 316.8217468261719 60.55172348022461 340.8075866699219 21.487903594970703 402.8041687011719 22.6875 500.68536376953125 13.322368621826172 544.8612670898438 28.28017234802246 577.1976928710938 45.125 670.8732299804688 51.556819915771484 677.814453125 12.920454978942871 722.5879516601562 7.0 816.8970336914062 29.375 830.4033203125 44.30615997314453 1104.4482421875 11.009614944458008 1225.1806640625 10.240385055541992 1339.3104248046875 25.2450008392334 1401.23779296875 31.22222137451172 1458.868896484375 22.68145179748535 1471.482666015625 47.00694274902344 1472.9349365234375 22.45833396911621 1498.3681640625 6.4464287757873535 1521.473388671875 159.3092041015625 1527.810546875 13.090909004211426 1671.4764404296875 13.322368621826172 1674.2752685546875 14.69444465637207 1901.32568359375 11.059210777282715 1921.7618408203125 15.796052932739258 1922.9835205078125 10.800000190734863 1977.2921142578125 10.006579399108887 1979.8394775390625 19.321428298950195 END IONS BEGIN IONS TITLE=CCMSLIB00005723242 PEPMASS=734.485413 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=20.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_B6_Erythromycin.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Erythromycin_20eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=[C@@H]1([C@@H]([C@H](C[C@H](O1)C)N(C)C)O)O[C@@H]1[C@H]([C@@H]([C@H](C(=O)O[C@@H]([C@]([C@@H]([C@H](C(=O)[C@@H](C[C@]1(O)C)C)C)O)(O)C)CC)C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C INCHI=InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 INCHIAUX=ULGZDMOVFRHVEP-RWJQBGPGSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723242 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723242 SCANS=201251 53.03899383544922 971.01025390625 55.0181770324707 1029.234375 55.04178237915039 646.287109375 55.05447006225586 20845.46875 56.050846099853516 591.5625 57.05760955810547 1912.60205078125 57.06935501098633 746.8362426757812 58.065330505371094 1734.706787109375 59.04936218261719 7111.67578125 61.028507232666016 1552.776123046875 67.0541000366211 642.771728515625 69.03385162353516 484.15777587890625 70.0653305053711 2161.0 71.04895782470703 1218.0548095703125 71.0732421875 625.58251953125 71.08576202392578 4828.41015625 72.08085632324219 49549.79296875 73.05201721191406 1064.8580322265625 73.06453704833984 2409.4599609375 77.059814453125 6863.04736328125 79.05452728271484 1010.1494140625 81.06998443603516 5147.58251953125 83.04914093017578 762870.3125 84.05256652832031 14846.833984375 84.08072662353516 4977.50439453125 85.02875518798828 1615.56298828125 85.06416320800781 679.367431640625 87.04389953613281 15631.1884765625 87.08015441894531 1762.285400390625 88.0755615234375 10537.7294921875 95.04938507080078 1682.2890625 97.0646743774414 6377.0732421875 98.06033325195312 684.1729125976562 98.09651184082031 66031.3203125 99.08036041259766 13587.6455078125 99.10160827636719 3823.811279296875 100.07572937011719 11031.98828125 100.11270904541016 1341.271728515625 101.08090209960938 699.9000244140625 107.08386993408203 470.6800231933594 109.06473541259766 4378.919921875 109.10079193115234 799.6076049804688 113.05950164794922 44397.0859375 114.06304168701172 1106.905517578125 114.09125518798828 10080.794921875 115.07550811767578 119664.421875 116.07067108154297 91869.4296875 116.1066665649414 574996.75 117.07381439208984 1286.071533203125 117.10987091064453 8803.58203125 121.10099029541016 1181.6812744140625 123.08032989501953 30251.916015625 124.08332824707031 1150.0008544921875 125.09647369384766 565.7633056640625 127.07523345947266 233183.25 128.07801818847656 6675.89501953125 128.10646057128906 1259.44140625 137.09620666503906 2108.1640625 140.10702514648438 1327.408935546875 142.12234497070312 2489.287109375 153.0909423828125 2049.230712890625 156.10198974609375 1687.208984375 158.11863708496094 4276757.0 158.54022216796875 471.24212646484375 158.5819091796875 524.4114990234375 158.6917724609375 648.9342651367188 158.8403778076172 482.8974609375 159.10107421875 14206.0859375 159.12103271484375 143874.890625 160.10523986816406 479.5131530761719 171.10157775878906 486.00311279296875 176.1280975341797 25663.78515625 177.12962341308594 3489.870361328125 179.14199829101562 839.9932250976562 183.10086059570312 654.4290161132812 187.14630126953125 737.3569946289062 193.12286376953125 1566.1068115234375 195.13661193847656 1429.8826904296875 205.1584014892578 545.8292236328125 211.1319122314453 450.12054443359375 213.1495361328125 625.5443725585938 221.1163787841797 690.187744140625 233.1535186767578 36611.421875 234.15652465820312 2609.394287109375 239.12777709960938 770.4755859375 245.19140625 574.9175415039062 251.16380310058594 1991.001953125 263.1996765136719 977.5885009765625 269.17498779296875 1875.755859375 272.18621826171875 2706.985107421875 274.2012634277344 1085.11279296875 281.2126770019531 459.5176086425781 284.1860046386719 8739.052734375 286.20037841796875 1575.1358642578125 289.1797180175781 6722.36767578125 290.1849365234375 610.0460205078125 307.1896667480469 9383.9794921875 308.1943359375 1346.118896484375 316.2122497558594 91800.3203125 317.2152404785156 5241.72021484375 325.2008056640625 24746.595703125 326.2038269042969 2090.3056640625 328.21051025390625 905.3826904296875 329.209228515625 731.5936279296875 334.2208251953125 1356.8931884765625 342.2279357910156 32338.837890625 343.2310485839844 3892.73193359375 347.22100830078125 9307.5224609375 348.2261962890625 960.8244018554688 360.2373962402344 3172.90625 365.2325744628906 33787.04296875 366.2353515625 3212.55810546875 383.2431335449219 24690.462890625 384.2441711425781 1304.5333251953125 386.2496032714844 440.1212158203125 393.22576904296875 556.3507080078125 401.2525329589844 915.2539672851562 408.2745666503906 49854.625 409.2776184082031 5401.119140625 426.2861633300781 449.8514404296875 444.29498291015625 4900.72216796875 445.2997131347656 1162.7222900390625 464.3005676269531 25652.046875 465.30364990234375 3957.381591796875 482.3113708496094 25808.59765625 483.3136901855469 2105.318115234375 500.3221435546875 28018.51953125 501.3259582519531 3285.123779296875 522.2413330078125 967.418701171875 522.3428344726562 584922.8125 523.34619140625 66747.8984375 524.354736328125 551.820068359375 540.2232055664062 538.096435546875 540.3533325195312 449685.96875 541.356689453125 50506.19921875 542.3716430664062 1335.30810546875 558.3641357421875 877538.625 559.3676147460938 97009.921875 574.3582153320312 5155.3857421875 575.3630981445312 872.9642944335938 576.3760986328125 3610446.25 577.0905151367188 1023.6989135742188 577.131103515625 550.3024291992188 577.23095703125 732.4608154296875 577.3779907226562 413839.09375 640.4027709960938 728.867919921875 658.4163818359375 2703.996826171875 666.4210205078125 767.3011474609375 684.4263916015625 944.480224609375 698.4479370117188 107692.0625 699.4510498046875 17393.69921875 702.4432983398438 3639.105712890625 716.458984375 178221.90625 717.4607543945312 28142.474609375 734.4691162109375 906979.125 735.4728393554688 125091.203125 END IONS BEGIN IONS TITLE=CCMSLIB00005723243 PEPMASS=734.485413 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=40.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_B6_Erythromycin.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Erythromycin_40eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=[C@@H]1([C@@H]([C@H](C[C@H](O1)C)N(C)C)O)O[C@@H]1[C@H]([C@@H]([C@H](C(=O)O[C@@H]([C@]([C@@H]([C@H](C(=O)[C@@H](C[C@]1(O)C)C)C)O)(O)C)CC)C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C INCHI=InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 INCHIAUX=ULGZDMOVFRHVEP-RWJQBGPGSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723243 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723243 SCANS=201583 53.03837585449219 1115.9903564453125 55.01821517944336 1829.1556396484375 55.05449295043945 68361.8984375 56.04936981201172 1059.0870361328125 56.057559967041016 1552.03955078125 57.03374099731445 3509.009765625 57.05743408203125 6886.1064453125 57.06984329223633 6563.3427734375 58.06508255004883 11716.9970703125 59.049530029296875 47862.890625 60.0538330078125 507.6220397949219 61.02829360961914 3554.36279296875 65.03861236572266 661.3223266601562 67.05430603027344 1750.234619140625 68.04965209960938 1153.914794921875 69.03350067138672 2990.123291015625 69.07003784179688 4472.4013671875 70.06512451171875 6144.15234375 71.04934692382812 4976.0986328125 71.07274627685547 5121.62939453125 71.0853042602539 14215.2822265625 72.04530334472656 595.0687866210938 72.08080291748047 272857.15625 73.05242919921875 2951.326416015625 73.064697265625 12573.3515625 73.08369445800781 4760.95703125 74.06108093261719 551.5341186523438 77.06016540527344 5092.806640625 79.05438995361328 4140.7021484375 81.07001495361328 30197.126953125 82.07284545898438 628.7174682617188 83.04949951171875 2779000.75 83.33970642089844 506.76690673828125 84.05280303955078 41654.47265625 84.08092498779297 16050.1533203125 85.0281982421875 13713.69921875 85.06478881835938 7675.86865234375 86.06069946289062 2373.081787109375 86.0962905883789 2093.798095703125 87.04405212402344 87904.1484375 87.08038330078125 4551.37890625 88.04772186279297 1266.14013671875 88.07572174072266 53573.9609375 89.0592041015625 730.3886108398438 89.07872772216797 1025.3326416015625 95.04900360107422 8690.9033203125 95.08612823486328 608.7300415039062 96.05220794677734 582.2854614257812 97.06463623046875 32330.830078125 97.10333251953125 484.88470458984375 98.06310272216797 2317.31298828125 98.09634399414062 431823.65625 99.08037567138672 44041.3125 99.10204315185547 19982.771484375 99.14391326904297 576.8173217773438 100.07571411132812 61154.62109375 100.1128158569336 3240.65283203125 101.05879974365234 740.4771728515625 101.08306884765625 4349.92919921875 107.08528137207031 795.0499267578125 109.06481170654297 19692.1171875 109.10115814208984 2572.744384765625 110.06724548339844 610.1915283203125 110.0965347290039 848.2843017578125 113.0595474243164 220910.15625 114.06312561035156 4925.71728515625 114.09123992919922 59911.390625 115.07555389404297 136898.375 116.07036590576172 652200.75 116.10673522949219 1228913.375 116.42716979980469 574.216064453125 117.07361602783203 13138.2265625 117.11023712158203 24695.087890625 121.10087585449219 7119.88427734375 123.08042907714844 109519.2578125 124.08386993408203 3931.891357421875 125.05939483642578 769.1156005859375 125.09590148925781 2971.909423828125 127.07527160644531 235459.34375 128.07803344726562 5209.04248046875 128.10670471191406 10646.3251953125 137.09609985351562 11033.66015625 138.0982666015625 562.5386962890625 139.11024475097656 816.22607421875 140.10647583007812 11144.3408203125 142.1226806640625 2076.60693359375 143.06964111328125 1170.5826416015625 147.1159210205078 534.8380737304688 149.13230895996094 1078.6195068359375 151.0746307373047 1357.85986328125 151.11282348632812 686.7212524414062 153.09080505371094 4805.64013671875 155.1060333251953 887.2637329101562 156.1024932861328 2173.008544921875 158.11883544921875 4554621.0 158.5323944091797 516.2254028320312 158.6060333251953 598.8740234375 158.6601104736328 487.2498779296875 158.68983459472656 477.19049072265625 158.79425048828125 588.4674072265625 159.12107849121094 145598.40625 163.1116180419922 708.5486450195312 165.0906982421875 1319.197998046875 165.12567138671875 1174.5714111328125 167.14230346679688 1051.12890625 171.1011505126953 2323.88330078125 175.1109619140625 1126.0081787109375 176.1277313232422 26555.64453125 177.1281280517578 5952.7333984375 181.08509826660156 919.4049682617188 183.1018829345703 2912.34375 187.14761352539062 2118.494873046875 189.16482543945312 476.1000671386719 193.121826171875 8190.638671875 195.13787841796875 4424.19189453125 205.12095642089844 789.7451171875 205.1579132080078 1938.822021484375 209.11753845214844 479.17822265625 211.13343811035156 1176.066162109375 213.14727783203125 583.2399291992188 214.14418029785156 466.6729736328125 215.1422576904297 499.9570007324219 217.1579132080078 460.27520751953125 221.1166229248047 1458.1436767578125 221.15219116210938 659.21337890625 223.16952514648438 561.4219970703125 229.15931701660156 749.2223510742188 233.15362548828125 87256.4921875 234.15692138671875 5470.95263671875 239.12875366210938 1181.0736083984375 243.1721649169922 829.9695434570312 245.1898651123047 3032.990478515625 246.19223022460938 588.4744873046875 247.16848754882812 656.1551513671875 249.1480712890625 917.0015869140625 251.16409301757812 4978.7705078125 252.16697692871094 486.3848876953125 256.19049072265625 759.13818359375 261.1852111816406 872.9796752929688 263.1994934082031 1949.013916015625 269.1741638183594 1024.8885498046875 271.16839599609375 1514.56494140625 272.185546875 10104.654296875 273.1894836425781 1031.090087890625 281.2109375 472.7708435058594 284.1862487792969 1356.1695556640625 286.20068359375 7524.5400390625 287.2037658691406 563.8618774414062 289.17974853515625 16073.544921875 290.1828918457031 986.7005615234375 298.2371520996094 647.9815673828125 307.1899108886719 6463.95654296875 308.19366455078125 613.5296020507812 316.2120666503906 657.3733520507812 325.2006530761719 2195.6552734375 329.21142578125 1050.4493408203125 342.22735595703125 16934.544921875 343.2309265136719 1343.9693603515625 347.2221984863281 3821.596435546875 360.2386474609375 1051.8187255859375 365.2336120605469 5811.7978515625 366.23468017578125 835.0948486328125 383.2421569824219 1513.5650634765625 408.2745056152344 19309.462890625 409.2771911621094 1162.829833984375 420.3101806640625 780.6021728515625 426.283203125 542.9512939453125 444.29547119140625 1129.58154296875 464.3012390136719 10408.0087890625 465.30511474609375 1205.789306640625 482.3118591308594 1921.4639892578125 500.3235778808594 1683.76171875 522.343017578125 18651.845703125 523.3469848632812 2506.197265625 540.3530883789062 14021.859375 541.3568115234375 1745.0020751953125 558.3638916015625 28760.228515625 559.36767578125 3014.770751953125 574.3580322265625 466.2784423828125 576.3748168945312 94660.2734375 577.3773803710938 9136.390625 716.45556640625 1087.6485595703125 734.4677124023438 2258.6962890625 END IONS BEGIN IONS TITLE=CCMSLIB00005723244 PEPMASS=734.485413 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=50.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_B6_Erythromycin.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Erythromycin_50eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=[C@@H]1([C@@H]([C@H](C[C@H](O1)C)N(C)C)O)O[C@@H]1[C@H]([C@@H]([C@H](C(=O)O[C@@H]([C@]([C@@H]([C@H](C(=O)[C@@H](C[C@]1(O)C)C)C)O)(O)C)CC)C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C INCHI=InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 INCHIAUX=ULGZDMOVFRHVEP-RWJQBGPGSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723244 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723244 SCANS=201915 53.03900909423828 2900.3154296875 55.01806640625 3566.8837890625 55.05462646484375 100291.5703125 56.04978942871094 1591.6943359375 56.056976318359375 970.6297607421875 57.03376770019531 4132.02783203125 57.05744934082031 10270.4580078125 57.06962966918945 7121.8515625 58.065284729003906 18557.61328125 59.04957580566406 90895.46875 60.05378341674805 1164.5576171875 61.02861785888672 5420.62841796875 65.03850555419922 1731.7652587890625 67.05424499511719 3140.50390625 68.04969787597656 1509.8753662109375 69.03366088867188 5508.23974609375 69.06993103027344 7099.8203125 70.06522369384766 12404.970703125 71.01234436035156 365.5326232910156 71.04923248291016 9541.55078125 71.07308197021484 8078.00244140625 71.08528900146484 12163.25 72.04435729980469 1332.956298828125 72.08080291748047 473747.8125 73.02897644042969 669.1975708007812 73.05228424072266 5904.97509765625 73.06438446044922 16963.44140625 73.08377838134766 6958.6259765625 74.0601806640625 842.6828002929688 75.04380798339844 472.37762451171875 77.0384521484375 482.6791687011719 77.05951690673828 1113.7506103515625 79.05426788330078 6775.17822265625 81.03235626220703 356.505615234375 81.07003784179688 45454.62109375 82.03997802734375 278.1158447265625 82.07070922851562 1685.06640625 82.98123931884766 382.625 83.02239990234375 279.1001892089844 83.0494613647461 2741777.25 83.35245513916016 470.0853271484375 83.38088989257812 324.1593322753906 83.39571380615234 282.77142333984375 84.05261993408203 44277.04296875 84.0809097290039 25369.3359375 85.02839660644531 15864.42578125 85.0650405883789 9455.56640625 86.06051635742188 4614.21484375 86.09619140625 2768.580810546875 87.04402160644531 187020.921875 88.04737091064453 3524.83203125 88.07582092285156 87309.8671875 89.0602035522461 1389.938232421875 89.07881927490234 1397.5374755859375 91.05366516113281 319.0 93.06889343261719 377.53314208984375 95.04903411865234 12914.908203125 95.08570861816406 1070.0697021484375 97.06465911865234 33745.10546875 97.10291290283203 576.2666015625 97.98263549804688 352.9067687988281 98.06046295166016 5908.3232421875 98.09623718261719 630849.625 99.08025360107422 31145.5390625 99.10266876220703 24908.955078125 100.04974365234375 300.5608825683594 100.07562255859375 69740.28125 101.0603256225586 1384.0595703125 101.08248901367188 4610.45751953125 109.06474304199219 22491.51953125 109.10113525390625 4395.96044921875 110.06804656982422 975.8241577148438 110.09696960449219 2552.9091796875 111.04307556152344 621.28125 111.0802230834961 1534.47021484375 112.11167907714844 868.2168579101562 113.05949401855469 243217.4375 114.06285858154297 4132.62890625 114.09114074707031 70011.4140625 115.07536315917969 61061.2734375 116.0703353881836 876432.0 116.10662841796875 959527.625 116.43114471435547 316.2042236328125 116.46214294433594 328.12298583984375 116.48210144042969 294.0522155761719 116.5053939819336 320.91510009765625 116.58583068847656 297.537841796875 117.07379150390625 16346.1953125 117.11019897460938 21150.005859375 117.15233612060547 369.5548400878906 119.08460998535156 745.1571044921875 121.10096740722656 6450.68701171875 122.10396575927734 678.20166015625 123.06005859375 284.18182373046875 123.08047485351562 89034.40625 124.08341979980469 2790.868896484375 125.05964660644531 884.6100463867188 125.09598541259766 3684.01171875 127.0751953125 104730.7734375 128.07821655273438 3207.181396484375 128.10682678222656 12899.298828125 135.08071899414062 452.625 135.1162109375 623.2191772460938 137.095947265625 11793.5166015625 138.09925842285156 734.9647216796875 139.07603454589844 488.90228271484375 139.11134338378906 869.6215209960938 140.10633850097656 12615.3173828125 141.09097290039062 1280.1688232421875 141.1092529296875 495.03570556640625 142.1232147216797 1706.0919189453125 145.1013641357422 325.4214782714844 147.08154296875 301.9013977050781 147.1165313720703 1231.4090576171875 149.09646606445312 514.580078125 149.13209533691406 1837.4879150390625 151.07455444335938 2537.564453125 151.11033630371094 659.6689453125 153.09075927734375 3116.417236328125 153.12635803222656 382.78125 155.1061553955078 1060.131591796875 156.10150146484375 1592.4285888671875 157.10324096679688 790.380615234375 157.5765838623047 284.0 158.117919921875 2704792.0 158.52508544921875 312.94049072265625 158.62451171875 620.4793090820312 158.67254638671875 280.6883850097656 159.1208038330078 71894.234375 160.11990356445312 281.7886047363281 163.0743865966797 539.5546875 163.1107177734375 1265.0247802734375 165.0909423828125 731.232666015625 165.12689208984375 1220.590087890625 167.14210510253906 682.9024047851562 169.10548400878906 329.8929748535156 171.10052490234375 620.0103149414062 171.11639404296875 334.06732177734375 173.131591796875 715.87841796875 174.11181640625 970.1520385742188 175.11119079589844 1475.5477294921875 176.12777709960938 12921.751953125 177.1278533935547 5059.3984375 178.13035583496094 396.9610595703125 179.14163208007812 482.9363098144531 181.08836364746094 362.8017272949219 183.1016387939453 1739.70751953125 187.1488800048828 1110.1356201171875 193.12232971191406 5983.376953125 195.13790893554688 3087.499755859375 197.1321258544922 374.0341796875 201.12570190429688 301.3714599609375 201.1616668701172 421.47271728515625 203.1424560546875 479.4415588378906 205.15916442871094 1044.56982421875 211.13330078125 1220.4580078125 215.14208984375 617.4197387695312 221.1169891357422 812.8328857421875 221.1532745361328 1006.0494995117188 223.1697540283203 543.8181762695312 225.16256713867188 297.7934875488281 229.15960693359375 654.5084228515625 231.13592529296875 398.0816650390625 233.15335083007812 24585.88671875 234.15672302246094 1334.24267578125 235.171875 286.93804931640625 239.1287078857422 287.7648010253906 243.17379760742188 348.56976318359375 245.19039916992188 1785.730224609375 251.16363525390625 2036.3128662109375 253.15769958496094 666.8671875 261.1507873535156 275.587158203125 261.1855773925781 534.51904296875 263.2000732421875 286.1120300292969 271.1683044433594 1215.0784912109375 272.1856994628906 4410.359375 273.1880187988281 478.0849609375 277.1412658691406 322.13037109375 279.1566467285156 350.48876953125 284.18499755859375 292.89190673828125 286.2013244628906 2388.645751953125 289.1792907714844 7103.98681640625 298.23870849609375 450.25128173828125 307.1902770996094 1096.875732421875 311.20330810546875 299.07525634765625 329.2096862792969 418.0016174316406 342.22802734375 2001.0665283203125 347.2225036621094 789.8291625976562 365.23248291015625 1073.5570068359375 408.2740478515625 1080.7706298828125 464.3016052246094 580.5389404296875 522.3402709960938 442.2547912597656 540.3519287109375 964.8828125 558.3628540039062 2255.515869140625 576.3739013671875 10007.5361328125 577.377197265625 872.633056640625 END IONS BEGIN IONS TITLE=CCMSLIB00005723245 PEPMASS=693.421029 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=20.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_B7_Monensin-sodium-salt.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Monensin_20eV [M+Na]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=CC[C@@]1([C@@H]2O[C@@H]([C@H]3O[C@@](CO)([C@@H](C[C@@H]3C)C)O)C[C@@H]2C)CC[C@H]([C@@]4(CC[C@@]5(O4)C[C@@H]([C@H]([C@@H]([C@H]([C@H]([C@@H](C(O)=O)C)OC)C)O5)C)O)C)O1 INCHI=InChI=1S/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)/t19-,20-,21+,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,33-,34-,35+,36-/m0/s1 INCHIAUX=GAOZTHIDHYLHMS-KEOBGNEYSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723245 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723245 SCANS=383461 197.07742309570312 502.65386962890625 443.2767028808594 2365.795166015625 461.2871398925781 10527.220703125 462.2926330566406 593.758544921875 479.2975769042969 7010.7880859375 483.30621337890625 1685.357421875 501.3175964355469 4035.8828125 523.3364868164062 368.0953674316406 541.3497924804688 1533.18212890625 563.3690795898438 735.662353515625 577.3724975585938 934.1207885742188 581.3797607421875 2783.155029296875 599.39013671875 2856.975830078125 617.4056396484375 895.3902587890625 657.3965454101562 3191.848388671875 675.4078979492188 165935.96875 676.4105834960938 23603.626953125 676.5106811523438 441.41107177734375 693.4200439453125 3483132.75 694.2703857421875 657.9029541015625 694.4217529296875 683892.875 695.2703247070312 470.088134765625 695.3616943359375 523.917724609375 695.4913330078125 465.9091491699219 END IONS BEGIN IONS TITLE=CCMSLIB00005723246 PEPMASS=693.421029 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=40.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_B7_Monensin-sodium-salt.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Monensin_40eV [M+Na]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=CC[C@@]1([C@@H]2O[C@@H]([C@H]3O[C@@](CO)([C@@H](C[C@@H]3C)C)O)C[C@@H]2C)CC[C@H]([C@@]4(CC[C@@]5(O4)C[C@@H]([C@H]([C@@H]([C@H]([C@H]([C@@H](C(O)=O)C)OC)C)O5)C)O)C)O1 INCHI=InChI=1S/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)/t19-,20-,21+,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,33-,34-,35+,36-/m0/s1 INCHIAUX=GAOZTHIDHYLHMS-KEOBGNEYSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723246 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723246 SCANS=383793 165.05172729492188 859.0458984375 165.08694458007812 373.01373291015625 166.09666442871094 293.05731201171875 179.10302734375 533.899658203125 191.1047821044922 432.7100524902344 193.1202850341797 333.0555419921875 197.0782928466797 4546.318359375 209.1138916015625 600.740966796875 237.1095428466797 2121.69775390625 255.11985778808594 4367.05859375 289.1763916015625 359.396728515625 297.1829528808594 290.37774658203125 321.2032165527344 1318.875 343.22247314453125 631.5581665039062 361.2335510253906 709.4749145507812 363.214599609375 791.5468139648438 383.2574157714844 574.3681640625 387.2508850097656 1299.1409912109375 389.2279357910156 651.6127319335938 391.2452392578125 1219.231689453125 405.26055908203125 3496.744873046875 407.24114990234375 608.0 443.2764587402344 19018.462890625 444.2789306640625 1993.486083984375 445.2517395019531 612.2361450195312 461.2874450683594 123624.875 462.291015625 11702.837890625 463.2662658691406 3690.044921875 463.3191833496094 347.55572509765625 464.271240234375 684.9437866210938 471.2750549316406 364.49139404296875 475.3034362792969 473.92181396484375 479.2979431152344 85682.8671875 480.3014831542969 6752.35986328125 481.3280944824219 511.0034484863281 483.3077087402344 9815.037109375 484.31292724609375 823.551513671875 489.2809143066406 1752.2886962890625 490.28436279296875 277.2201232910156 491.2961120605469 3880.396240234375 501.3186950683594 47403.8046875 502.3219909667969 4625.88671875 507.2917785644531 1497.0394287109375 508.2967834472656 282.8013000488281 511.3028869628906 607.4149780273438 519.3245849609375 316.6614074707031 523.3380737304688 1508.54345703125 529.3147583007812 989.2606201171875 531.3286743164062 1715.969970703125 539.3318481445312 433.5306396484375 540.3341064453125 395.8448791503906 541.3506469726562 9717.8046875 542.3538208007812 1251.8583984375 547.3195190429688 285.4952392578125 557.3409423828125 677.7648315429688 559.359619140625 3854.62939453125 560.361328125 434.216796875 563.37109375 3237.108642578125 564.3733520507812 592.6822509765625 575.357421875 3204.669921875 576.358154296875 488.9307556152344 577.370849609375 7704.01904296875 578.3766479492188 1116.254638671875 581.3812255859375 34338.49609375 582.3844604492188 4604.5927734375 599.3919677734375 26203.1015625 600.3949584960938 4969.86767578125 605.3648681640625 334.4906005859375 607.361572265625 440.6409606933594 613.408203125 1104.1551513671875 615.384033203125 404.3990783691406 617.40185546875 19352.591796875 618.4043579101562 2142.954345703125 625.3711547851562 2199.72119140625 626.37353515625 574.10205078125 631.4174194335938 1238.8480224609375 633.3933715820312 583.6597900390625 639.38671875 2604.19775390625 640.3955078125 366.7115478515625 643.3805541992188 4001.241943359375 644.3845825195312 686.12939453125 649.4281616210938 2260.02734375 657.3970336914062 46633.46484375 658.4002075195312 8463.35546875 661.39013671875 2035.70556640625 675.2710571289062 1285.760498046875 675.4080810546875 1311481.75 676.4116821289062 206709.65625 692.42919921875 291.9349365234375 692.9660034179688 298.03240966796875 693.41943359375 2795371.5 694.2732543945312 617.7193603515625 694.4219360351562 477150.96875 695.5562744140625 301.2152099609375 END IONS BEGIN IONS TITLE=CCMSLIB00005723247 PEPMASS=693.421029 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=50.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_B7_Monensin-sodium-salt.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Monensin_50eV [M+Na]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=CC[C@@]1([C@@H]2O[C@@H]([C@H]3O[C@@](CO)([C@@H](C[C@@H]3C)C)O)C[C@@H]2C)CC[C@H]([C@@]4(CC[C@@]5(O4)C[C@@H]([C@H]([C@@H]([C@H]([C@H]([C@@H](C(O)=O)C)OC)C)O5)C)O)C)O1 INCHI=InChI=1S/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)/t19-,20-,21+,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,33-,34-,35+,36-/m0/s1 INCHIAUX=GAOZTHIDHYLHMS-KEOBGNEYSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723247 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723247 SCANS=384125 55.014930725097656 263.8768005371094 55.054542541503906 534.875 71.0488510131836 196.1117706298828 80.0228042602539 388.53753662109375 93.02992248535156 468.3306579589844 99.07999420166016 495.4187927246094 107.08509826660156 187.96022033691406 110.03272247314453 814.10205078125 113.09529113769531 187.43011474609375 121.06074523925781 175.4545440673828 121.10041809082031 278.1617431640625 123.04164123535156 352.0150146484375 125.09573364257812 398.03466796875 127.1100082397461 187.00119018554688 138.0651397705078 194.5264129638672 139.1105499267578 605.5297241210938 141.0907440185547 288.0178527832031 143.1063995361328 268.25274658203125 149.09446716308594 399.31292724609375 149.12918090820312 265.9738464355469 153.08932495117188 402.6121826171875 163.11314392089844 182.015380859375 165.0517578125 2575.454345703125 165.087890625 795.5103149414062 165.1262664794922 336.84173583984375 166.09591674804688 319.188232421875 167.10696411132812 608.109619140625 171.1165313720703 185.19354248046875 173.13255310058594 239.14083862304688 175.11183166503906 167.27999877929688 177.12796020507812 463.9526672363281 179.10289001464844 832.0311889648438 179.14283752441406 340.0303955078125 191.10430908203125 1237.4454345703125 197.07821655273438 20967.822265625 197.13133239746094 260.3663330078125 198.0811004638672 677.1226196289062 205.0809783935547 214.67320251464844 205.1182861328125 602.57177734375 207.13449096679688 225.2734832763672 209.11424255371094 2312.621337890625 211.09683227539062 260.16070556640625 216.9078826904297 185.35667419433594 221.1531524658203 258.3353271484375 222.123291015625 373.05841064453125 223.09445190429688 581.7103881835938 235.13113403320312 232.716064453125 235.16607666015625 208.21888732910156 237.10960388183594 11617.2255859375 237.64865112304688 189.642333984375 238.11412048339844 382.8357849121094 245.14955139160156 248.0657958984375 249.14581298828125 211.7142791748047 251.12522888183594 331.8265686035156 255.1205291748047 21189.537109375 256.1220703125 713.84765625 257.1502380371094 358.26080322265625 267.1493225097656 225.38583374023438 273.1443786621094 261.73553466796875 276.25823974609375 227.90304565429688 287.16094970703125 1428.8519287109375 294.23675537109375 213.48597717285156 299.197998046875 507.0 301.17608642578125 244.23448181152344 303.1938781738281 1818.8778076171875 305.1718444824219 858.7120971679688 305.2091064453125 182.5 307.18768310546875 438.0128479003906 309.1842041015625 294.2579650878906 311.1866760253906 237.56227111816406 319.1875 665.3265991210938 321.2031555175781 6087.326171875 323.1847839355469 1095.4849853515625 333.20367431640625 559.2767944335938 343.22369384765625 1736.4324951171875 345.2030029296875 2575.672119140625 361.1982727050781 442.2601623535156 361.2349548339844 2527.85986328125 363.213623046875 5042.0615234375 364.2150573730469 436.19891357421875 371.219482421875 507.48406982421875 373.23193359375 851.8050537109375 379.2115478515625 465.625 383.2552185058594 2142.377685546875 387.2508239746094 2765.905029296875 389.22918701171875 1302.3126220703125 390.235595703125 217.83712768554688 391.24591064453125 2853.27880859375 394.3113708496094 181.90963745117188 400.2608947753906 183.92774963378906 401.2646484375 231.0058135986328 403.2457580566406 610.2249755859375 404.2478942871094 342.8305358886719 405.2607421875 12949.201171875 406.26409912109375 742.4810791015625 407.2396545410156 2304.630615234375 408.24420166015625 582.778564453125 411.2482604980469 359.4400634765625 413.2668151855469 398.25714111328125 419.2778625488281 554.7989501953125 421.2539978027344 330.5556335449219 423.2849426269531 311.625 427.24334716796875 244.78463745117188 427.3138732910156 171.3776092529297 435.2674865722656 221.49588012695312 441.2964172363281 254.39801025390625 443.2767028808594 80427.609375 444.2799377441406 7610.41796875 445.25537109375 2690.537841796875 446.25579833984375 324.9569396972656 447.26995849609375 645.7430419921875 453.29345703125 167.0129852294922 455.27532958984375 249.76341247558594 457.2914733886719 1068.62548828125 460.97088623046875 178.10208129882812 461.2872619628906 550704.6875 461.9931335449219 269.17340087890625 462.0814514160156 195.86764526367188 462.11114501953125 227.60597229003906 462.2911682128906 56287.83203125 462.9528503417969 178.658203125 462.99237060546875 165.3769073486328 463.266357421875 12072.291015625 464.2696838378906 1825.0408935546875 465.28558349609375 369.40625 471.2731628417969 1403.5411376953125 472.2810974121094 331.3734436035156 473.28851318359375 1404.59130859375 474.2835998535156 432.006591796875 475.3033142089844 2903.5908203125 479.1866760253906 241.14285278320312 479.29791259765625 406825.46875 479.98486328125 324.25 480.30120849609375 38996.9921875 480.7323913574219 224.1656951904297 481.3288269042969 2534.775146484375 483.3075256347656 50235.77734375 484.3118896484375 6538.06298828125 489.28179931640625 8070.7734375 490.28546142578125 696.5269165039062 491.2976989746094 11061.7890625 492.3003845214844 1262.3673095703125 493.3116760253906 612.0720825195312 494.31646728515625 187.875 499.3014831542969 216.71014404296875 499.3380126953125 545.9195556640625 500.3087463378906 987.857421875 501.31890869140625 191321.1875 502.05206298828125 218.7977294921875 502.24346923828125 179.5033721923828 502.3218994140625 23510.107421875 502.41571044921875 253.51235961914062 503.2950439453125 311.4215393066406 503.3267822265625 286.0249938964844 507.2926940917969 10184.05859375 508.2936096191406 980.7821655273438 511.30267333984375 371.9307861328125 512.3084716796875 283.5315246582031 513.3184204101562 1355.5712890625 518.3175659179688 680.24609375 519.3275146484375 645.3829345703125 523.3391723632812 8966.1044921875 524.3424072265625 1094.935791015625 525.3160400390625 279.0416564941406 527.3338623046875 232.09616088867188 529.3125610351562 3813.0556640625 530.3192138671875 683.1353149414062 531.328857421875 7589.67333984375 532.3306274414062 398.0596923828125 533.324462890625 244.09747314453125 539.3368530273438 611.1853637695312 541.3497924804688 41934.29296875 542.353759765625 6668.10107421875 543.3290405273438 778.013671875 545.3553466796875 192.2818145751953 547.3234252929688 559.8347778320312 549.295166015625 241.1607208251953 551.3346557617188 333.447998046875 553.3509521484375 350.0625 555.3323364257812 206.4545440673828 555.364990234375 240.11448669433594 557.3449096679688 3248.89404296875 558.3477783203125 469.8656005859375 559.3604736328125 13807.96484375 560.3643798828125 2566.19189453125 563.3701171875 19261.052734375 564.3754272460938 2779.034423828125 565.347900390625 216.4144744873047 569.3456420898438 443.4558410644531 570.3455810546875 231.0828399658203 571.3598022460938 376.8265075683594 575.3557739257812 10809.9970703125 576.3594360351562 1206.9483642578125 577.370849609375 29463.83984375 578.3740844726562 5193.27001953125 581.228271484375 224.22500610351562 581.271728515625 407.802001953125 581.3814697265625 140648.53125 582.3840942382812 24632.126953125 587.3555908203125 1190.4163818359375 587.6094360351562 196.2419891357422 595.3968505859375 878.431640625 597.3733520507812 287.0420837402344 599.3919677734375 126007.6875 600.3952026367188 18407.9609375 601.3712158203125 350.84442138671875 605.364990234375 1085.6837158203125 606.3694458007812 475.91070556640625 607.3593139648438 1484.463134765625 613.4077758789062 3728.9501953125 614.4114379882812 388.71429443359375 615.3860473632812 718.0123901367188 616.3908081054688 648.3389282226562 617.27294921875 215.4220428466797 617.4027099609375 64672.16796875 618.405517578125 10552.9326171875 619.3792114257812 191.74569702148438 619.4214477539062 169.5625 625.3713989257812 8542.0517578125 626.3757934570312 1630.1168212890625 631.418212890625 5203.72802734375 632.4223022460938 1361.414306640625 633.3964233398438 2515.17919921875 634.399658203125 447.2224426269531 639.3870849609375 12264.369140625 640.3894653320312 1823.0433349609375 643.3811645507812 12737.0869140625 644.3829345703125 2824.074951171875 645.3997192382812 321.6917419433594 647.408935546875 250.57347106933594 649.4285888671875 6669.87158203125 650.43359375 1003.6793823242188 657.3140869140625 384.6202392578125 657.397705078125 154704.4375 658.3168334960938 209.91986083984375 658.400634765625 26547.330078125 658.7288208007812 317.49298095703125 661.3920288085938 3943.236572265625 662.2059326171875 197.000732421875 662.3961181640625 546.1477661132812 662.5140991210938 181.84445190429688 672.1900024414062 256.1240539550781 675.167724609375 269.0773010253906 675.408203125 1417457.875 676.1979370117188 387.5353698730469 676.2422485351562 217.33790588378906 676.3074340820312 577.5913696289062 676.4119262695312 215322.015625 677.3096313476562 266.40899658203125 677.41748046875 284.06561279296875 677.4751586914062 253.99942016601562 677.566162109375 358.998046875 677.6522827148438 406.0400390625 677.7661743164062 222.72642517089844 677.8436279296875 213.9673614501953 677.906494140625 211.69363403320312 678.686279296875 217.34756469726562 693.0248413085938 213.8099365234375 693.4188232421875 1689311.75 694.2703247070312 1618.05615234375 694.4223022460938 264298.28125 695.3048706054688 319.399658203125 695.56982421875 306.0725402832031 695.6534423828125 210.21571350097656 695.7903442382812 213.0322723388672 695.8926391601562 275.4854431152344 696.0368041992188 260.82635498046875 696.1790161132812 178.25198364257812 696.377685546875 200.4362335205078 696.4075317382812 191.25914001464844 696.764404296875 178.64422607421875 716.3381958007812 200.81492614746094 783.0720825195312 203.24009704589844 1272.4744873046875 257.2437744140625 1417.741455078125 233.61082458496094 1472.4664306640625 264.0107116699219 1795.7623291015625 191.4922332763672 END IONS BEGIN IONS TITLE=CCMSLIB00005723248 PEPMASS=1225.741566 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=20.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_B9_Polymyxin-B-sulfate.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Polymyxin B_20eV [M+Na]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=CCC(CCCCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H]1CCNC([C@H]([C@H](O)C)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](NC([C@H](NC1=O)CCN)=O)Cc2ccccc2)=O)CC(C)C)=O)CCN)=O)CCN)=O)=O)=O)CCN)=O)[C@H](O)C)=O)CCN)=O)C INCHI=InChI=1S/C56H98N16O13/c1-7-32(4)13-11-12-16-44(75)63-36(17-23-57)51(80)72-46(34(6)74)56(85)68-39(20-26-60)48(77)67-41-22-28-62-55(84)45(33(5)73)71-52(81)40(21-27-61)65-47(76)37(18-24-58)66-53(82)42(29-31(2)3)69-54(83)43(30-35-14-9-8-10-15-35)70-49(78)38(19-25-59)64-50(41)79/h8-10,14-15,31-34,36-43,45-46,73-74H,7,11-13,16-30,57-61H2,1-6H3,(H,62,84)(H,63,75)(H,64,79)(H,65,76)(H,66,82)(H,67,77)(H,68,85)(H,69,83)(H,70,78)(H,71,81)(H,72,80)/t32?,33-,34-,36+,37+,38-,39+,40+,41+,42+,43-,45+,46+/m1/s1 INCHIAUX=WQVJHHACXVLGBL-BPJDFBQWSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723248 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723248 SCANS=154840 130.36190795898438 45.247642517089844 163.35543823242188 48.42856979370117 169.17694091796875 49.93965530395508 206.0918426513672 212.5765838623047 230.1581573486328 260.2666015625 236.1368865966797 45.66666793823242 316.4971008300781 79.11111450195312 349.15899658203125 130.9342041015625 377.18939208984375 104.55603790283203 377.2492370605469 96.15348052978516 419.2713623046875 85.34626770019531 446.2725524902344 77.19021606445312 537.2836303710938 173.0 551.3089599609375 116.59402465820312 583.887939453125 52.568180084228516 591.3306884765625 60.08035659790039 657.3932495117188 65.32142639160156 696.4378051757812 74.75 703.4112548828125 90.55644989013672 776.4177856445312 141.30682373046875 779.4615478515625 100.49596405029297 784.4507446289062 118.9184799194336 784.8240966796875 62.492347717285156 784.9263916015625 37.38888931274414 812.4830322265625 50.0 819.4661254882812 99.33069610595703 825.05517578125 101.25926208496094 840.4791259765625 50.51250076293945 841.4376220703125 86.20930480957031 866.20068359375 51.38563919067383 884.504150390625 244.8240203857422 897.492919921875 56.90042495727539 907.48779296875 103.77999877929688 933.4949340820312 43.0466423034668 941.52001953125 46.31578826904297 990.5936889648438 83.06881713867188 997.3129272460938 83.56410217285156 1033.018798828125 72.00218963623047 1066.63720703125 50.0 1067.5625 45.2195930480957 1097.71923828125 114.02049255371094 1125.5633544921875 142.5635528564453 1132.700927734375 38.15705108642578 1137.70751953125 126.31410217285156 1151.4090576171875 112.68852233886719 1153.73095703125 83.2368392944336 1162.17822265625 72.04255676269531 1163.701904296875 255.06153869628906 1174.76123046875 123.67045593261719 1180.3134765625 102.90740966796875 1181.7086181640625 973.0546875 1182.2589111328125 102.25 1182.712158203125 266.0055847167969 1183.303466796875 39.939517974853516 1189.721435546875 72.48026275634766 1196.0682373046875 38.3684196472168 1197.838134765625 64.88915252685547 1199.611083984375 70.07267761230469 1204.54443359375 115.63999938964844 1207.622314453125 83.5931396484375 1207.7347412109375 426.82379150390625 1208.73095703125 139.449462890625 1208.900146484375 36.04999923706055 1211.9647216796875 86.25640869140625 1217.0267333984375 142.29090881347656 1220.3822021484375 42.68055725097656 1221.6968994140625 54.382354736328125 1222.120361328125 44.57143020629883 1223.1160888671875 37.27364730834961 1223.225341796875 61.29878234863281 1223.7425537109375 38.939517974853516 1223.81884765625 48.408782958984375 1224.2972412109375 78.92045593261719 1224.6236572265625 66.95833587646484 1224.7301025390625 88.83721160888672 1224.996826171875 54.36000061035156 1225.1185302734375 90.36111450195312 1225.17333984375 112.96900177001953 1225.445068359375 319.4144287109375 1225.74072265625 338946.25 1226.7430419921875 66755.0859375 1227.4720458984375 92.09375 1227.554931640625 172.15499877929688 1227.6414794921875 127.3819351196289 1227.7213134765625 158.07711791992188 1227.80029296875 70.6722412109375 1227.845458984375 71.14814758300781 1227.9534912109375 118.49747467041016 1228.06982421875 128.15086364746094 1228.13427734375 212.6952362060547 1228.1781005859375 120.61236572265625 1228.22314453125 114.58277893066406 1228.315185546875 190.04931640625 1228.404296875 78.79126739501953 1228.456787109375 67.2309341430664 1228.583740234375 133.81451416015625 1228.707763671875 109.28408813476562 1228.7694091796875 79.00694274902344 1228.945556640625 272.19683837890625 1229.0457763671875 131.94932556152344 1229.1094970703125 60.629180908203125 1229.28369140625 42.570945739746094 1229.44580078125 107.81818389892578 1229.51171875 75.8754653930664 1229.5850830078125 40.42573928833008 1229.669189453125 39.469444274902344 1229.892578125 99.76041412353516 1230.1085205078125 64.00833129882812 1230.2716064453125 42.5610466003418 1230.3653564453125 53.03628921508789 1230.59912109375 70.48026275634766 1230.690185546875 78.3499984741211 1231.3150634765625 49.65322494506836 1231.717041015625 35.0 1232.1029052734375 55.224998474121094 1232.357666015625 51.9262809753418 1232.8031005859375 65.0250015258789 1233.8262939453125 40.181819915771484 1234.3074951171875 53.55555725097656 1237.011474609375 38.92045593261719 1238.7437744140625 38.845001220703125 1239.6878662109375 37.16666793823242 1251.3316650390625 74.88372039794922 1254.12060546875 49.61538314819336 1263.7916259765625 58.004310607910156 1265.891357421875 43.09375 1320.8155517578125 65.24066925048828 1350.7666015625 93.01136016845703 1393.97265625 60.0625 1430.1754150390625 45.230770111083984 1559.697265625 68.11111450195312 END IONS BEGIN IONS TITLE=CCMSLIB00005723249 PEPMASS=1225.741566 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=40.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_B9_Polymyxin-B-sulfate.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Polymyxin B_40eV [M+Na]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=CCC(CCCCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H]1CCNC([C@H]([C@H](O)C)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](NC([C@H](NC1=O)CCN)=O)Cc2ccccc2)=O)CC(C)C)=O)CCN)=O)CCN)=O)=O)=O)CCN)=O)[C@H](O)C)=O)CCN)=O)C INCHI=InChI=1S/C56H98N16O13/c1-7-32(4)13-11-12-16-44(75)63-36(17-23-57)51(80)72-46(34(6)74)56(85)68-39(20-26-60)48(77)67-41-22-28-62-55(84)45(33(5)73)71-52(81)40(21-27-61)65-47(76)37(18-24-58)66-53(82)42(29-31(2)3)69-54(83)43(30-35-14-9-8-10-15-35)70-49(78)38(19-25-59)64-50(41)79/h8-10,14-15,31-34,36-43,45-46,73-74H,7,11-13,16-30,57-61H2,1-6H3,(H,62,84)(H,63,75)(H,64,79)(H,65,76)(H,66,82)(H,67,77)(H,68,85)(H,69,83)(H,70,78)(H,71,81)(H,72,80)/t32?,33-,34-,36+,37+,38-,39+,40+,41+,42+,43-,45+,46+/m1/s1 INCHIAUX=WQVJHHACXVLGBL-BPJDFBQWSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723249 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723249 SCANS=155172 77.56060028076172 69.77564239501953 85.23873901367188 246.94223022460938 152.07936096191406 60.960105895996094 156.23153686523438 47.47368240356445 189.9629364013672 55.032142639160156 207.0946502685547 121.32691955566406 210.0974578857422 37.102272033691406 253.12789916992188 58.78893280029297 309.271484375 105.59782409667969 325.1644592285156 43.51041793823242 327.9526672363281 83.1875 335.2119140625 174.46511840820312 337.2213439941406 122.00416564941406 340.55987548828125 257.77587890625 342.6440124511719 35.33333206176758 351.1754150390625 172.36029052734375 383.2018127441406 48.04521179199219 402.24609375 156.0416717529297 419.8365478515625 55.04941940307617 420.9845886230469 46.00227355957031 437.22381591796875 38.02083206176758 438.2719421386719 32.47368240356445 466.24298095703125 134.4694061279297 483.25830078125 75.68888854980469 486.736572265625 62.001983642578125 491.26708984375 64.0 492.2216796875 73.0625 510.5870361328125 49.007354736328125 520.3233032226562 137.3076934814453 537.2777709960938 60.560001373291016 562.302490234375 58.85714340209961 563.3695678710938 51.3967399597168 564.3441772460938 225.12791442871094 565.3135986328125 179.02093505859375 565.5679321289062 35.00862121582031 576.32080078125 53.08654022216797 576.3546752929688 82.28994750976562 578.3499755859375 89.7339096069336 582.3418579101562 68.4473648071289 593.3184814453125 160.68011474609375 596.8070068359375 43.716270446777344 598.328369140625 117.76476287841797 600.3585205078125 41.80277633666992 610.3373413085938 70.06428527832031 620.3837280273438 144.6068115234375 622.3739013671875 129.7346954345703 640.42529296875 166.68643188476562 653.6823120117188 32.13031768798828 665.3807983398438 59.49127960205078 701.398681640625 171.57119750976562 713.3984985351562 59.43055725097656 723.4100341796875 188.6449432373047 740.4157104492188 186.28900146484375 747.4425048828125 110.05518341064453 748.638916015625 114.06451416015625 751.4349365234375 60.061275482177734 754.434814453125 263.3611145019531 756.4424438476562 96.59259033203125 766.43115234375 91.45153045654297 767.40625 49.66666793823242 777.510009765625 38.011905670166016 784.4422607421875 474.9811706542969 785.469970703125 38.10041046142578 785.5169677734375 50.04941940307617 794.4293823242188 43.04166793823242 795.4490966796875 77.21499633789062 796.5858764648438 59.150001525878906 805.4462280273438 108.84807586669922 809.3955078125 32.17499923706055 810.4188232421875 35.025001525878906 810.4650268554688 75.06428527832031 811.4442749023438 111.7190170288086 812.4614868164062 73.43524169921875 820.4472045898438 36.852272033691406 822.4591674804688 267.0023498535156 840.483154296875 143.34405517578125 848.5180053710938 90.8062515258789 867.4749755859375 197.0177001953125 884.5103149414062 488.27557373046875 884.8229370117188 45.04545593261719 885.5152587890625 199.00672912597656 896.5659790039062 124.85318756103516 910.51025390625 123.41666412353516 913.5429077148438 246.64028930664062 933.5249633789062 63.73724365234375 941.5279541015625 309.1499938964844 949.532958984375 92.45454406738281 962.6188354492188 72.01235961914062 967.5399169921875 124.48664855957031 1018.6615600585938 54.5625 1035.5909423828125 57.78703689575195 1037.621826171875 151.7604217529297 1041.2474365234375 55.14814758300781 1060.65673828125 56.969261169433594 1061.62939453125 94.21338653564453 1062.6346435546875 32.45833206176758 1063.642333984375 54.18408966064453 1080.659423828125 65.23999786376953 1081.63134765625 114.76219177246094 1085.1102294921875 61.56903076171875 1085.612060546875 41.37061309814453 1086.60546875 60.45833206176758 1089.656005859375 60.90086364746094 1091.616943359375 65.47206115722656 1092.6531982421875 84.30477905273438 1093.68994140625 87.7793197631836 1096.6126708984375 66.19512176513672 1098.6597900390625 42.07500076293945 1101.663330078125 64.23155975341797 1102.675048828125 103.3675765991211 1103.64501953125 100.668212890625 1117.6759033203125 47.969261169433594 1119.6834716796875 268.8790588378906 1120.66064453125 42.29656982421875 1120.9405517578125 40.04166793823242 1123.5355224609375 52.40833282470703 1124.6986083984375 101.09756469726562 1125.6787109375 33.568180084228516 1127.28466796875 32.02743911743164 1134.6927490234375 89.51577758789062 1135.656982421875 44.592105865478516 1136.51416015625 37.17499923706055 1137.6954345703125 681.13232421875 1138.6800537109375 98.08390045166016 1139.2802734375 73.30769348144531 1145.6953125 92.00235748291016 1146.6734619140625 134.74404907226562 1149.5457763671875 46.19047546386719 1151.6298828125 32.25 1153.720947265625 145.3478240966797 1153.85986328125 71.86428833007812 1163.7115478515625 291.6825256347656 1164.7186279296875 100.44078826904297 1167.960205078125 54.19047546386719 1169.6234130859375 32.25961685180664 1180.7335205078125 115.6759262084961 1181.148681640625 114.96969604492188 1181.7115478515625 2860.586181640625 1181.926025390625 49.11136245727539 1182.173828125 37.05555725097656 1182.6507568359375 47.246952056884766 1182.7059326171875 417.457275390625 1182.9385986328125 35.760135650634766 1185.946044921875 103.37036895751953 1189.72802734375 62.556034088134766 1194.0233154296875 32.321807861328125 1195.4866943359375 48.06666564941406 1195.6976318359375 73.6326904296875 1197.7513427734375 345.6925354003906 1200.6435546875 51.01315689086914 1201.128662109375 38.5 1205.6788330078125 52.21500015258789 1207.728271484375 2031.63330078125 1208.22412109375 41.04545593261719 1208.6590576171875 88.35526275634766 1208.72998046875 763.6844482421875 1210.8349609375 107.53760528564453 1212.4130859375 62.04941940307617 1218.6270751953125 43.59868240356445 1218.7510986328125 40.0476188659668 1219.062255859375 82.5434799194336 1221.22216796875 49.24007797241211 1222.8658447265625 38.679054260253906 1223.9521484375 125.4490737915039 1224.0125732421875 48.25 1224.18505859375 35.315216064453125 1224.495361328125 79.60526275634766 1224.720947265625 318.7289123535156 1224.8626708984375 70.28408813476562 1225.02392578125 47.925926208496094 1225.2060546875 80.11376190185547 1225.3316650390625 173.39112854003906 1225.411865234375 279.6757507324219 1225.5130615234375 286.8209533691406 1225.593017578125 408.93389892578125 1225.740478515625 313701.84375 1226.7431640625 62300.984375 1227.3919677734375 152.015380859375 1227.47509765625 47.338462829589844 1227.5548095703125 240.33155822753906 1227.666748046875 298.2955627441406 1227.811767578125 165.78961181640625 1227.8826904296875 160.64620971679688 1227.9599609375 150.4977264404297 1228.026123046875 190.82235717773438 1228.11572265625 98.6022720336914 1228.198974609375 132.94503784179688 1228.25439453125 149.74729919433594 1228.344482421875 115.71512603759766 1228.4361572265625 103.01323699951172 1228.5098876953125 101.8977279663086 1228.5906982421875 71.18444061279297 1228.6387939453125 84.37061309814453 1228.7098388671875 74.09789276123047 1228.7589111328125 106.80357360839844 1228.829833984375 89.29629516601562 1228.9005126953125 76.95866394042969 1228.9478759765625 89.62664794921875 1229.0115966796875 144.05882263183594 1229.218017578125 90.47115325927734 1229.316162109375 36.375 1229.4097900390625 87.0816650390625 1229.447021484375 40.33333206176758 1229.5885009765625 78.18939208984375 1229.76806640625 43.75 1229.8734130859375 52.72058868408203 1229.937255859375 77.55146789550781 1230.0853271484375 65.457275390625 1230.254638671875 36.107757568359375 1230.644775390625 41.0 1230.754150390625 130.44642639160156 1231.7666015625 62.44643020629883 1231.900146484375 38.84011459350586 1231.961669921875 68.09375 1234.048583984375 90.12255096435547 1234.1756591796875 80.63185119628906 1235.832275390625 82.04878234863281 1237.294921875 42.44565200805664 1237.7569580078125 45.026161193847656 1237.8626708984375 34.11184310913086 1238.16650390625 55.75 1239.3211669921875 41.80644989013672 1240.7236328125 36.22282791137695 1240.8521728515625 38.67856979370117 1242.732177734375 56.08088302612305 1245.7489013671875 50.960105895996094 1248.592529296875 65.2545166015625 1254.2806396484375 36.73611068725586 1261.889892578125 50.880435943603516 1268.3292236328125 51.11206817626953 1269.7630615234375 47.17307662963867 1271.0487060546875 34.408782958984375 1302.62353515625 65.8514175415039 1538.5545654296875 42.06377410888672 1722.4735107421875 43.11249923706055 1912.4892578125 41.40833282470703 END IONS BEGIN IONS TITLE=CCMSLIB00005723250 PEPMASS=1225.741566 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=50.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_B9_Polymyxin-B-sulfate.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Polymyxin B_50eV [M+Na]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=CCC(CCCCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H]1CCNC([C@H]([C@H](O)C)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](NC([C@H](NC1=O)CCN)=O)Cc2ccccc2)=O)CC(C)C)=O)CCN)=O)CCN)=O)=O)=O)CCN)=O)[C@H](O)C)=O)CCN)=O)C INCHI=InChI=1S/C56H98N16O13/c1-7-32(4)13-11-12-16-44(75)63-36(17-23-57)51(80)72-46(34(6)74)56(85)68-39(20-26-60)48(77)67-41-22-28-62-55(84)45(33(5)73)71-52(81)40(21-27-61)65-47(76)37(18-24-58)66-53(82)42(29-31(2)3)69-54(83)43(30-35-14-9-8-10-15-35)70-49(78)38(19-25-59)64-50(41)79/h8-10,14-15,31-34,36-43,45-46,73-74H,7,11-13,16-30,57-61H2,1-6H3,(H,62,84)(H,63,75)(H,64,79)(H,65,76)(H,66,82)(H,67,77)(H,68,85)(H,69,83)(H,70,78)(H,71,81)(H,72,80)/t32?,33-,34-,36+,37+,38-,39+,40+,41+,42+,43-,45+,46+/m1/s1 INCHIAUX=WQVJHHACXVLGBL-BPJDFBQWSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723250 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723250 SCANS=155505 86.56697845458984 259.9261474609375 119.07738494873047 58.265350341796875 122.05962371826172 279.736328125 123.05116271972656 272.5102844238281 164.5570526123047 49.04941940307617 180.07568359375 36.75 198.1878204345703 130.6297607421875 262.1219482421875 68.11363983154297 283.1794738769531 163.15773010253906 307.1434631347656 103.10025024414062 308.18170166015625 80.4816665649414 323.1761169433594 93.0078125 334.1487121582031 94.04280853271484 336.2038269042969 69.22711181640625 338.121337890625 57.02857208251953 355.20916748046875 50.22321319580078 384.2373962402344 114.59558868408203 422.2479553222656 58.77777862548828 424.2392883300781 76.0608139038086 439.2184143066406 130.91358947753906 464.28387451171875 39.80263137817383 466.248779296875 90.75609588623047 473.2211608886719 51.681819915771484 476.3411560058594 145.75625610351562 482.2124938964844 50.12036895751953 484.2712097167969 221.8171844482422 491.26727294921875 35.96428680419922 492.3231201171875 48.38815689086914 501.2703857421875 98.81349182128906 507.2662658691406 125.73513793945312 509.24664306640625 89.00446319580078 509.3181457519531 43.94117736816406 518.31396484375 50.778846740722656 537.3250732421875 76.56395721435547 538.3073120117188 126.57142639160156 546.3359985351562 49.019737243652344 557.3165893554688 84.34615325927734 564.3451538085938 401.9619445800781 566.3121948242188 65.73529052734375 574.3739624023438 108.14825439453125 578.3523559570312 302.021484375 581.3128051757812 179.41175842285156 583.3313598632812 633.9396362304688 583.7647705078125 32.52155303955078 584.1520385742188 29.0 594.3635864257812 44.33796310424805 596.3612670898438 113.42976379394531 601.3370361328125 29.55681800842285 610.345703125 66.10526275634766 613.3411254882812 74.5318603515625 619.3533325195312 117.61289978027344 619.4124755859375 31.185606002807617 620.339111328125 189.05580139160156 620.37353515625 170.32655334472656 638.3783569335938 44.25 639.3267211914062 69.57120513916016 640.3536987304688 84.0367660522461 647.3818359375 44.246620178222656 648.3521728515625 167.02438354492188 649.3658447265625 29.644737243652344 649.4130859375 61.03333282470703 652.3450927734375 101.9473648071289 656.3915405273438 78.67500305175781 661.451171875 97.04252624511719 664.3987426757812 172.78604125976562 665.4031372070312 122.83451080322266 678.4158935546875 80.56018829345703 683.3994750976562 107.01630401611328 683.7536010742188 37.96428680419922 686.5527954101562 43.00227355957031 694.361328125 95.28947448730469 696.4340209960938 51.960105895996094 698.3944091796875 106.21951293945312 701.4112548828125 138.3018341064453 703.3049926757812 122.69999694824219 704.35498046875 46.40909194946289 705.3836059570312 32.66666793823242 709.4472045898438 43.00833511352539 711.4296264648438 64.51524353027344 712.3696899414062 67.68902587890625 712.431884765625 70.00806427001953 713.4154052734375 137.28408813476562 713.860107421875 43.002777099609375 721.4293823242188 142.22500610351562 722.4024658203125 33.556819915771484 738.4381103515625 60.6363639831543 739.4183349609375 58.52083206176758 740.4342651367188 65.16532135009766 748.4161987304688 37.96195602416992 755.7718505859375 35.125 756.4468994140625 318.0249938964844 756.5062255859375 31.0 756.8795776367188 28.00337791442871 762.4564208984375 89.55410766601562 765.4713745117188 45.88888931274414 766.4306640625 212.88095092773438 767.428955078125 83.15789794921875 768.4354248046875 55.283451080322266 771.4219970703125 46.20192337036133 774.4628295898438 44.01388931274414 777.3969116210938 56.290252685546875 778.1278686523438 29.02083396911621 784.4461059570312 1060.5809326171875 785.3045043945312 48.03703689575195 785.4524536132812 101.125 785.5381469726562 32.61249923706055 794.4246215820312 162.78512573242188 796.4949340820312 46.51524353027344 805.4564819335938 90.08401489257812 813.4617309570312 61.06666564941406 819.4248657226562 75.73558044433594 821.4931640625 48.39858627319336 822.469482421875 131.14404296875 832.488037109375 50.93939208984375 838.5004272460938 159.14080810546875 840.4837646484375 508.6709289550781 841.4906616210938 133.56790161132812 847.451171875 37.599998474121094 851.4602661132812 49.01730728149414 862.4690551757812 59.00675582885742 863.2215576171875 31.360294342041016 863.4489135742188 190.03311157226562 866.4617919921875 78.04255676269531 866.5125732421875 147.4166717529297 867.0143432617188 142.67822265625 867.5047607421875 130.02154541015625 877.6884155273438 35.0 878.5463256835938 43.025001525878906 884.511474609375 1601.2001953125 885.50830078125 244.0689239501953 885.9647216796875 99.22711181640625 886.0330810546875 34.0 890.5156860351562 78.82691955566406 896.5714111328125 44.36742401123047 897.5117797851562 206.0010223388672 899.4619750976562 98.45489501953125 907.4845581054688 89.03359985351562 911.4326782226562 58.01730728149414 917.459228515625 42.967105865478516 921.5553588867188 61.32236862182617 921.6018676757812 72.57432556152344 923.512451171875 164.02499389648438 924.2874755859375 29.036291122436523 924.508544921875 104.17646789550781 928.5362548828125 52.16447448730469 935.11962890625 50.49385070800781 940.56005859375 50.245689392089844 941.5284423828125 358.2577209472656 942.56591796875 127.34980773925781 952.3470458984375 32.344512939453125 959.5083618164062 36.73611068725586 962.587158203125 53.173912048339844 964.3325805664062 41.419776916503906 967.5380859375 126.01408386230469 968.585693359375 61.03125 973.5884399414062 60.67499923706055 977.5223999023438 43.63999938964844 980.603759765625 43.224998474121094 981.501708984375 66.0 985.5507202148438 302.1055908203125 985.6077880859375 137.57127380371094 993.2304077148438 60.64554977416992 993.4735717773438 73.35576629638672 995.6039428710938 56.25 1000.072021484375 50.30769348144531 1006.614501953125 32.181819915771484 1009.5728759765625 51.61000061035156 1013.5299682617188 78.66944122314453 1020.5982055664062 132.625 1023.5803833007812 72.40485382080078 1024.6312255859375 41.19047546386719 1028.1844482421875 57.00961685180664 1028.880615234375 74.13298034667969 1037.6566162109375 96.05882263183594 1040.6326904296875 64.68055725097656 1043.606689453125 117.15058898925781 1051.593505859375 93.01136016845703 1053.632080078125 49.136112213134766 1053.666259765625 28.149999618530273 1054.612060546875 77.25635528564453 1062.6131591796875 30.191177368164062 1062.6796875 70.07758331298828 1068.58544921875 75.14260864257812 1073.399169921875 69.6790542602539 1075.692138671875 34.306819915771484 1077.6500244140625 67.00227355957031 1077.686767578125 50.07267379760742 1080.6607666015625 173.43838500976562 1084.6719970703125 52.224998474121094 1085.691650390625 29.2450008392334 1089.6787109375 46.18560791015625 1090.687255859375 68.68269348144531 1093.698486328125 166.48780822753906 1101.65234375 43.20833206176758 1109.6097412109375 35.003379821777344 1118.6544189453125 44.80277633666992 1119.6805419921875 171.5646514892578 1120.691162109375 56.671295166015625 1122.6138916015625 46.03409194946289 1124.3233642578125 39.33333206176758 1124.6832275390625 56.344512939453125 1125.6873779296875 87.05482482910156 1126.671875 49.59375 1135.6959228515625 85.20166778564453 1137.51416015625 70.44461822509766 1137.6929931640625 530.625 1138.54443359375 69.7200698852539 1138.69921875 178.14422607421875 1140.016845703125 52.595237731933594 1140.0875244140625 45.005001068115234 1140.68505859375 35.06666564941406 1145.6905517578125 162.92562866210938 1153.6402587890625 43.0 1153.7091064453125 98.98275756835938 1154.7322998046875 74.16598510742188 1155.58349609375 41.33333206176758 1158.631591796875 78.5308837890625 1162.464599609375 71.32142639160156 1163.632568359375 79.28125 1163.7027587890625 1100.000732421875 1164.704833984375 201.898193359375 1165.4134521484375 45.66911697387695 1168.7232666015625 90.32691955566406 1179.7330322265625 158.57403564453125 1179.7646484375 82.32142639160156 1180.68994140625 77.01190185546875 1180.9754638671875 35.599998474121094 1181.60546875 115.90086364746094 1181.713134765625 7563.6435546875 1181.888671875 101.04326629638672 1182.1536865234375 55.95833206176758 1182.467041015625 30.40833282470703 1182.616455078125 64.9473648071289 1182.7164306640625 821.6034545898438 1182.9261474609375 30.013158798217773 1183.3116455078125 58.760135650634766 1183.345458984375 39.04166793823242 1183.6588134765625 36.125 1184.323974609375 45.46106719970703 1189.7222900390625 350.3870849609375 1195.366943359375 58.0476188659668 1195.714599609375 174.68145751953125 1195.9061279296875 47.5 1197.74658203125 547.71533203125 1198.74755859375 189.669189453125 1200.2371826171875 36.45000076293945 1200.53955078125 64.71195983886719 1207.729248046875 3730.0732421875 1207.9024658203125 60.05482482910156 1208.7255859375 1099.6822509765625 1208.8856201171875 59.440216064453125 1210.37353515625 32.285377502441406 1211.568359375 31.11111068725586 1213.802001953125 36.84090805053711 1213.9202880859375 41.73475646972656 1217.489013671875 67.8525619506836 1219.6871337890625 44.6371955871582 1220.2767333984375 79.96378326416016 1221.27294921875 60.65441131591797 1222.9581298828125 32.285377502441406 1223.929931640625 33.1363639831543 1224.063232421875 107.0199966430664 1224.5396728515625 72.0250015258789 1224.6474609375 38.375 1224.7181396484375 191.96304321289062 1224.791015625 90.30615997314453 1224.9703369140625 65.32257843017578 1225.12646484375 136.88970947265625 1225.3106689453125 59.92091751098633 1225.47265625 261.1275634765625 1225.7401123046875 283165.0 1226.7431640625 55579.51171875 1227.3408203125 87.18871307373047 1227.4656982421875 225.41329956054688 1227.5355224609375 148.70396423339844 1227.611083984375 104.05471801757812 1227.7418212890625 146.56573486328125 1227.8104248046875 128.02658081054688 1227.9027099609375 34.893409729003906 1227.959228515625 123.54973602294922 1228.0994873046875 244.3751220703125 1228.253662109375 142.3030242919922 1228.346435546875 57.40324783325195 1228.386474609375 152.89193725585938 1228.480224609375 99.48106384277344 1228.55322265625 89.08333587646484 1228.644287109375 115.16000366210938 1228.694091796875 73.00961303710938 1228.8060302734375 129.09091186523438 1228.9449462890625 132.79017639160156 1228.9783935546875 166.1936798095703 1229.081298828125 104.6268539428711 1229.134521484375 58.0529670715332 1229.2071533203125 70.27365112304688 1229.269775390625 109.35321807861328 1229.3486328125 80.00833129882812 1229.528564453125 67.36363983154297 1229.6922607421875 34.48214340209961 1229.739013671875 212.41981506347656 1229.8663330078125 70.08928680419922 1229.9505615234375 44.002193450927734 1230.0479736328125 67.03765106201172 1230.2076416015625 38.31578826904297 1230.413330078125 37.010868072509766 1230.718505859375 74.23529052734375 1231.341552734375 34.45564651489258 1232.7288818359375 49.13224792480469 1233.4593505859375 33.375 1233.5792236328125 33.32143020629883 1233.648681640625 30.769229888916016 1234.7413330078125 54.129032135009766 1234.9124755859375 29.125 1236.3388671875 68.33333587646484 1236.8055419921875 28.075000762939453 1237.9691162109375 49.88010025024414 1238.516357421875 31.086538314819336 1238.67333984375 28.019229888916016 1239.5985107421875 35.796051025390625 1239.724609375 38.06944274902344 1242.2708740234375 37.33333206176758 1244.90234375 57.040000915527344 1254.3291015625 37.375 1255.7073974609375 103.25 1263.4576416015625 72.26470947265625 1263.8968505859375 50.625 1264.26220703125 66.0 1265.4317626953125 57.761905670166016 1268.9443359375 44.20000076293945 1287.2410888671875 35.60499954223633 1336.0784912109375 57.05482482910156 1355.072509765625 87.4000015258789 1381.38232421875 47.721153259277344 1657.7796630859375 68.171875 1735.2506103515625 28.33333396911621 1735.8077392578125 75.67361450195312 1736.5123291015625 163.8483428955078 END IONS BEGIN IONS TITLE=CCMSLIB00005723251 PEPMASS=540.288818 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=20.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_B10_Apramycin-sulfate.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Apramycin_20eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=N[C@@H]1[C@@H](O[C@H]2O[C@H]3[C@@H](O[C@H](O[C@@H]4[C@H](O)[C@@H](O)[C@H](N)[C@@H](CO)O4)[C@@H](NC)[C@H]3O)C[C@H]2N)[C@H](O)[C@@H](O)[C@H](N)C1 INCHI=InChI=1S/C21H41N5O11/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31/h5-21,26-32H,2-4,22-25H2,1H3/t5-,6+,7-,8+,9-,10-,11+,12+,13+,14-,15-,16-,17-,18+,19+,20-,21-/m1/s1 INCHIAUX=XZNUGFQTQHRASN-XQENGBIVSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723251 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723251 SCANS=19560 53.03840637207031 109.14534759521484 54.67223358154297 104.60356903076172 55.01856231689453 204.44671630859375 55.05372619628906 193.6817626953125 56.049964904785156 489.3802795410156 57.03301239013672 112.92045593261719 57.05129623413086 188.1405029296875 58.065162658691406 1786.551513671875 58.65810012817383 70.72321319580078 60.04417419433594 1609.4532470703125 60.132850646972656 179.39559936523438 65.03863525390625 261.0993957519531 68.04955291748047 1113.3668212890625 69.03272247314453 196.93141174316406 70.02772521972656 189.0124969482422 70.06409454345703 327.8587646484375 71.0136947631836 239.83396911621094 72.04444885253906 4669.02880859375 72.08422088623047 80.57499694824219 73.04826354980469 130.1199951171875 74.06028747558594 3598.972412109375 74.1070327758789 47.01906967163086 78.04171752929688 118.16345977783203 80.04908752441406 645.1922607421875 81.03338623046875 875.8847045898438 82.02986907958984 172.29884338378906 82.06512451171875 918.8773193359375 83.0118637084961 217.22962951660156 83.04828643798828 100.41421508789062 83.05976104736328 143.96694946289062 84.0439453125 4805.83984375 84.08146667480469 456.7007141113281 84.24897766113281 47.0113639831543 84.26806640625 67.001708984375 85.04255676269531 203.00119018554688 86.05996704101562 2589.809814453125 87.06243133544922 294.7921142578125 88.03922271728516 146.4622802734375 88.07545471191406 207.1236572265625 90.05506896972656 3293.299560546875 91.05888366699219 160.22535705566406 92.0484619140625 366.6337890625 94.06449127197266 804.3377685546875 95.04910278320312 258.3268737792969 96.04410552978516 10996.595703125 96.10702514648438 46.005950927734375 96.20397186279297 50.761905670166016 96.32544708251953 112.39705657958984 97.02926635742188 260.7752380371094 97.05021667480469 465.7602844238281 97.0754165649414 421.45037841796875 98.05975341796875 3043.152099609375 98.50476837158203 46.20192337036133 100.03953552246094 79.08013153076172 101.06827545166016 106.44485473632812 101.73199462890625 69.4375 102.05484008789062 2148.13720703125 103.05708312988281 68.00961303710938 103.08756256103516 328.1764831542969 104.07013702392578 221.61817932128906 106.0648193359375 81.75 108.04471588134766 773.2745971679688 108.08089447021484 225.21800231933594 109.02840423583984 422.1951599121094 109.0767593383789 517.2671508789062 109.10443115234375 149.117919921875 110.0595703125 8746.7958984375 110.1075210571289 137.703125 110.19904327392578 45.810001373291016 111.04369354248047 10770.3681640625 111.09153747558594 141.79931640625 111.17266845703125 79.54545593261719 111.33250427246094 52.00833511352539 112.0465316772461 236.82102966308594 113.06912994384766 341.935791015625 114.05465698242188 2565.595458984375 115.03790283203125 147.83045959472656 115.0556411743164 110.0 116.07119750976562 627.1175537109375 118.04723358154297 179.23924255371094 118.06507110595703 206.35182189941406 119.05903625488281 94.61250305175781 120.07894134521484 241.35227966308594 121.02529907226562 71.7409439086914 121.05068969726562 244.00057983398438 121.07572937011719 227.85382080078125 122.05936431884766 1363.07470703125 123.04232025146484 312.055419921875 123.06708526611328 107.96052551269531 124.03828430175781 94.13679504394531 124.0751953125 2211.491455078125 125.07225036621094 163.05262756347656 125.10713195800781 110.16363525390625 125.11875915527344 71.09782409667969 126.05425262451172 6216.2568359375 126.09127044677734 396.1777648925781 126.45071411132812 76.79668426513672 127.037109375 146.1117706298828 127.05718231201172 342.5308837890625 127.77739715576172 52.015625 128.0703887939453 10244.802734375 128.11502075195312 156.0416717529297 128.17051696777344 62.349998474121094 128.25306701660156 49.40192413330078 129.07305908203125 187.24742126464844 129.90965270996094 58.4766960144043 132.04449462890625 392.22882080078125 132.079833984375 127.03461456298828 133.6923828125 63.85141372680664 134.08285522460938 113.00471496582031 135.0914306640625 2055.90869140625 135.45632934570312 101.66944122314453 135.76930236816406 62.406646728515625 136.0757293701172 2650.53466796875 136.3758087158203 42.125 136.44134521484375 50.19145584106445 137.07383728027344 211.33761596679688 137.1042022705078 184.52174377441406 138.05404663085938 1123.0728759765625 138.09014892578125 128.44908142089844 139.08612060546875 663.3801879882812 140.0705108642578 3206.97509765625 141.0726318359375 95.71078491210938 141.64952087402344 40.0229606628418 142.0484619140625 1316.71435546875 142.0858154296875 895.1300659179688 142.1342315673828 43.852272033691406 142.46453857421875 75.16598510742188 143.0832061767578 102.0703125 144.0654754638672 10067.6953125 144.140380859375 69.19512176513672 144.3193817138672 41.57143020629883 145.06842041015625 224.08116149902344 145.09707641601562 2807.271728515625 146.05960083007812 134.9729766845703 146.0811767578125 1332.6510009765625 147.08998107910156 141.015869140625 147.744873046875 53.202274322509766 148.07456970214844 86.2244873046875 148.09344482421875 78.40908813476562 150.05438232421875 2510.3466796875 150.98794555664062 84.40889739990234 151.03890991210938 691.1210327148438 151.0859375 1486.7125244140625 152.0690155029297 608.5034790039062 152.0921173095703 996.7381591796875 152.11802673339844 171.3915557861328 153.0725860595703 218.70645141601562 153.10203552246094 2826.176025390625 154.08660888671875 499.4399108886719 154.10401916503906 207.0 156.06517028808594 223.83946228027344 157.04843139648438 53.63999938964844 157.07276916503906 211.96202087402344 157.09561157226562 664.923095703125 157.19741821289062 85.90740966796875 157.45700073242188 61.15705108642578 158.077880859375 56.44117736816406 159.06675720214844 190.2734832763672 159.08670043945312 256.1604919433594 159.22775268554688 53.46106719970703 162.0760040283203 26337.375 162.18890380859375 52.03571319580078 162.2085723876953 79.44444274902344 162.52664184570312 58.03845977783203 162.68148803710938 47.19047546386719 163.08596801757812 6310.20166015625 163.10748291015625 57349.87109375 163.35829162597656 55.4879035949707 163.4269256591797 84.34782409667969 163.47547912597656 54.04960250854492 163.54092407226562 92.45689392089844 163.6179656982422 61.24038314819336 164.0706787109375 5208.0419921875 164.11032104492188 1685.0 164.30648803710938 59.12009811401367 164.36834716796875 51.367645263671875 164.43264770507812 68.22297668457031 164.65420532226562 56.8587646484375 165.0727081298828 259.7242431640625 165.10189819335938 493.7669372558594 165.3035430908203 70.14130401611328 165.72100830078125 129.03515625 166.08558654785156 170.86813354492188 166.26211547851562 49.01785659790039 167.58282470703125 51.531864166259766 168.0648651123047 2719.15869140625 169.0968017578125 3499.45654296875 169.1477813720703 43.560184478759766 170.08375549316406 968.8571166992188 171.0848388671875 198.58209228515625 171.11231994628906 1142.9503173828125 171.29017639160156 72.18560791015625 172.07376098632812 156.5625 172.09539794921875 291.56817626953125 173.09130859375 3069.724609375 174.05259704589844 41.13793182373047 174.07640075683594 94.33333587646484 174.0931854248047 162.43182373046875 175.10693359375 3212.45947265625 175.15777587890625 44.14881134033203 175.39288330078125 46.015846252441406 176.10958862304688 192.8264617919922 177.25112915039062 44.003570556640625 179.0803985595703 327.0037841796875 180.08636474609375 27250.12890625 180.14036560058594 415.7969970703125 180.6190185546875 90.46260833740234 180.7700653076172 83.30615997314453 180.82986450195312 72.91716766357422 180.86741638183594 49.01041793823242 181.09671020507812 22167.59765625 181.15933227539062 209.2228240966797 181.37594604492188 59.36007308959961 181.6233673095703 47.01250076293945 181.78713989257812 60.225746154785156 181.8540496826172 70.2249984741211 182.08126831054688 10074.4462890625 182.15335083007812 100.20833587646484 182.25213623046875 72.51219177246094 182.42916870117188 47.76483154296875 183.08375549316406 1124.4090576171875 183.11260986328125 1011.5484619140625 184.09609985351562 733.8997802734375 185.06971740722656 72.03704071044922 185.09185791015625 558.02197265625 186.0747528076172 350.35943603515625 186.11199951171875 224.96971130371094 187.10772705078125 4994.4755859375 187.6540069580078 79.46370697021484 188.10740661621094 154.8033447265625 189.10000610351562 243.44143676757812 190.06378173828125 86.92453002929688 190.119384765625 135.3355255126953 191.1010284423828 103.55603790283203 193.09588623046875 257.9779357910156 194.0774383544922 77.26656341552734 194.90951538085938 104.09756469726562 195.11085510253906 380.670166015625 196.09840393066406 114.89441680908203 197.11190795898438 86.10041046142578 198.09970092773438 172.1511688232422 198.12307739257812 128.21778869628906 198.9347686767578 72.01210021972656 199.07498168945312 114.01388549804688 199.10789489746094 104542.109375 199.53536987304688 69.64867401123047 199.5562286376953 81.35174560546875 199.60882568359375 95.71627044677734 199.6753387451172 41.25 199.70985412597656 56.375 199.76014709472656 110.77791595458984 199.78416442871094 63.84429931640625 199.83697509765625 51.20833206176758 199.86016845703125 95.625 199.890869140625 58.003204345703125 199.95001220703125 55.798912048339844 200.0908660888672 9211.375 200.10887145996094 5674.24755859375 200.20323181152344 51.73475646972656 200.2351531982422 46.43269348144531 200.3723602294922 57.173851013183594 200.89373779296875 58.48214340209961 201.07354736328125 151.62857055664062 201.09426879882812 1206.783935546875 201.12289428710938 11786.611328125 201.19078063964844 121.57128143310547 201.43118286132812 65.14881134033203 201.8256072998047 77.21184539794922 202.07205200195312 558.222900390625 202.12562561035156 360.1007995605469 203.10174560546875 583.8853149414062 204.06190490722656 48.04166793823242 204.27432250976562 40.0 205.1169891357422 227.8864288330078 206.07980346679688 86.01000213623047 208.0941162109375 117.0887680053711 209.0673065185547 142.47935485839844 209.09226989746094 156.5625 209.12759399414062 101.50880432128906 210.07757568359375 141.0 210.81256103515625 97.16633605957031 211.10716247558594 710.1800537109375 212.09181213378906 83.66666412353516 213.12310791015625 1226.6287841796875 214.0859832763672 41.969825744628906 214.11830139160156 135.23736572265625 215.1022186279297 615.2227783203125 215.73614501953125 56.80644989013672 216.08395385742188 199.03207397460938 216.1341094970703 1522.3070068359375 216.34451293945312 58.60445022583008 216.36924743652344 110.53917694091797 216.39295959472656 116.640625 216.53221130371094 50.880435943603516 216.7731475830078 45.57143020629883 216.85174560546875 147.28515625 217.1180419921875 403312.71875 217.5645751953125 169.79637145996094 217.60629272460938 75.3499984741211 217.63063049316406 42.62080001831055 217.66314697265625 111.44207000732422 217.67808532714844 71.70909118652344 217.70126342773438 110.26347351074219 217.73318481445312 45.84021759033203 217.7717742919922 41.64532470703125 217.803955078125 98.95211791992188 217.83132934570312 172.2938690185547 217.8935089111328 141.9463653564453 217.95645141601562 76.0092544555664 217.99122619628906 120.82091522216797 218.0113525390625 108.29605102539062 218.0509796142578 199.18951416015625 218.12095642089844 18730.384765625 218.2150115966797 44.489864349365234 218.25955200195312 127.2326889038086 218.28964233398438 48.048912048339844 218.41310119628906 73.16554260253906 218.45655822753906 55.06666564941406 218.69375610351562 49.40691375732422 218.71595764160156 87.69444274902344 219.11187744140625 247.29104614257812 219.1300811767578 167.69561767578125 219.24453735351562 47.102272033691406 219.26934814453125 50.531864166259766 219.54327392578125 50.22222137451172 220.14064025878906 46.474998474121094 221.11329650878906 396.5833435058594 222.12680053710938 122.06127166748047 223.10769653320312 523.2123413085938 223.1421661376953 165.1886749267578 224.09115600585938 253.7162628173828 224.1375274658203 115.0 225.08766174316406 154.0321502685547 225.1221923828125 3444.209716796875 225.4239044189453 48.625 226.12704467773438 365.8179626464844 227.10202026367188 1384.57763671875 227.63780212402344 102.10344696044922 228.10476684570312 222.10464477539062 228.132568359375 1579.381103515625 228.17724609375 41.004032135009766 228.4963836669922 60.66666793823242 229.11778259277344 2164.20703125 229.39585876464844 47.934322357177734 230.14918518066406 5234.53857421875 231.1380615234375 371.05523681640625 232.08055114746094 52.349998474121094 233.08981323242188 252.7285614013672 233.11155700683594 2202.0380859375 233.49649047851562 89.31410217285156 234.0717010498047 102.875 234.1127471923828 302.875 235.10684204101562 772.7957763671875 235.12811279296875 2210.2294921875 235.18521118164062 48.63999938964844 236.02708435058594 42.09090805053711 236.06651306152344 52.686405181884766 236.1153564453125 48.73475646972656 237.12298583984375 1176.02392578125 238.15191650390625 118.4631118774414 239.10133361816406 579.8367919921875 239.13938903808594 219.10000610351562 240.13272094726562 416.3696594238281 241.11830139160156 2307.401123046875 242.12875366210938 260.9527587890625 242.1487579345703 733.1856079101562 243.13368225097656 5835.0009765625 243.220947265625 72.00640869140625 243.8377685546875 80.47093200683594 244.13504028320312 651.0087280273438 245.11428833007812 365.25714111328125 246.0957794189453 248.14540100097656 246.14456176757812 412.5607604980469 247.1072998046875 195.03668212890625 247.12857055664062 424.95123291015625 248.11216735839844 176.6923065185547 249.12155151367188 357.0083312988281 250.12631225585938 166.42178344726562 251.12315368652344 1895.3875732421875 252.10879516601562 300.8935852050781 252.1314697265625 324.8445129394531 253.1179656982422 3129.873046875 254.1258544921875 1647.4564208984375 255.13330078125 5014.59716796875 255.2063751220703 62.084014892578125 255.47935485839844 41.04545593261719 255.51927185058594 61.064517974853516 256.0796203613281 97.0118408203125 256.1337890625 492.0692138671875 256.1643371582031 472.3333435058594 257.11273193359375 1364.1748046875 257.1460876464844 243.50416564941406 258.1438293457031 776.110595703125 259.1278991699219 2790.77978515625 260.087890625 118.91136169433594 260.1243896484375 283.3200378417969 261.1437683105469 122.04166412353516 262.154541015625 88.83721160888672 263.1243896484375 504.021240234375 264.14361572265625 269.7939758300781 265.1162109375 246.10586547851562 266.09906005859375 48.002777099609375 266.1229248046875 92.17646789550781 266.150146484375 552.2900390625 267.1346435546875 976.19921875 268.1313781738281 153.44642639160156 268.1628112792969 117.84782409667969 269.1134948730469 146.40086364746094 270.09820556640625 152.125 270.1434631347656 1981.20947265625 271.1285095214844 58774.0859375 271.44793701171875 65.8026351928711 271.4899597167969 72.68160247802734 271.5272216796875 56.65681838989258 271.5950012207031 156.80641174316406 271.64190673828125 78.11250305175781 271.7879943847656 65.46106719970703 272.0008239746094 110.24038696289062 272.13421630859375 4386.40576171875 272.2748718261719 61.55172348022461 272.6596374511719 72.92045593261719 273.08453369140625 140.27162170410156 273.12152099609375 379.8438415527344 273.143798828125 1536.5343017578125 273.2051086425781 42.603572845458984 273.3545837402344 49.28571319580078 273.53826904296875 55.16071319580078 273.78009033203125 55.3353157043457 274.146240234375 223.35360717773438 276.01904296875 49.80277633666992 276.05322265625 54.400001525878906 276.1059265136719 41.592105865478516 276.13446044921875 161.57025146484375 277.117431640625 1002.3668823242188 278.12408447265625 266.53289794921875 278.1465148925781 131.13499450683594 280.1646728515625 811.5596313476562 280.4318542480469 56.00893020629883 281.13189697265625 83.3062515258789 281.1672058105469 63.17241287231445 282.14599609375 1603.54736328125 282.20867919921875 45.14881134033203 283.1289978027344 308.420166015625 284.11083984375 140.87905883789062 284.16168212890625 386.53314208984375 285.15570068359375 189.00308227539062 286.1762390136719 189.77011108398438 287.1219177246094 326.4985656738281 288.10772705078125 98.46295928955078 288.1542053222656 2351.343505859375 289.1394958496094 11155.5517578125 289.2340087890625 44.471153259277344 290.1485900878906 2796.870361328125 290.81280517578125 86.06881713867188 290.9539794921875 47.64015197753906 291.1355285644531 811.0493774414062 291.3995666503906 47.11556625366211 292.1628112792969 99.66666412353516 292.8233947753906 132.29629516601562 292.87860107421875 78.63377380371094 294.14508056640625 1594.041015625 294.2120361328125 46.23214340209961 294.3890380859375 43.209999084472656 295.1011047363281 209.4593963623047 295.12896728515625 9116.4677734375 295.19512939453125 97.2750015258789 295.28973388671875 55.75 296.1316223144531 880.125 296.1573181152344 522.4505615234375 297.1488342285156 77.84027862548828 298.1728820800781 219.18626403808594 300.15655517578125 292.7513427734375 301.1309509277344 244.99502563476562 301.1546630859375 91.0 302.1486511230469 86.04166412353516 304.18670654296875 305.029296875 305.13427734375 1340.73095703125 306.13836669921875 81.00833129882812 306.16558837890625 777.8538208007812 307.1278991699219 245.6717987060547 307.1761169433594 900.9217529296875 308.09893798828125 81.33885192871094 308.1603088378906 12283.2509765625 308.3069152832031 62.191036224365234 308.9808044433594 64.125 309.16302490234375 1528.9388427734375 309.21942138671875 68.2801742553711 309.2869567871094 46.796051025390625 311.1236572265625 361.0059509277344 312.1236877441406 230.70394897460938 312.1554870605469 9406.9130859375 312.22601318359375 70.48076629638672 312.5894470214844 43.246952056884766 312.9266662597656 41.022727966308594 313.13934326171875 15010.98046875 313.2794494628906 57.111488342285156 314.14349365234375 1328.0849609375 318.1678771972656 81.33333587646484 319.1488037109375 111.5250015258789 323.14410400390625 3745.238525390625 323.2351379394531 42.235294342041016 323.8870849609375 64.47669219970703 324.12811279296875 266.8369445800781 324.1515197753906 490.9204406738281 324.1733093261719 684.2007446289062 325.138916015625 1498.673828125 325.1867980957031 7384.36669921875 325.3338928222656 54.556819915771484 326.1706237792969 25920.822265625 326.41729736328125 92.04280853271484 326.5995178222656 61.04807662963867 326.6200866699219 46.94230651855469 327.1481018066406 75.82276153564453 327.1740417480469 2616.53857421875 329.131591796875 420.1143493652344 330.11810302734375 282.3058776855469 330.16552734375 9411.998046875 330.2380065917969 101.72309875488281 330.3194885253906 61.48484802246094 330.69122314453125 71.00227355957031 331.16375732421875 765.0156860351562 332.5445556640625 103.77884674072266 335.1434631347656 71.28197479248047 335.17364501953125 75.77593994140625 342.16632080078125 1841.3084716796875 343.1095886230469 45.51250076293945 343.1489562988281 3350.675537109375 343.1972351074219 29898.55078125 343.3995361328125 56.39112854003906 343.46044921875 72.0562515258789 343.48956298828125 74.875 343.52789306640625 47.375 343.58953857421875 44.71934127807617 343.66064453125 64.34722137451172 343.99468994140625 40.29656982421875 344.0987243652344 181.01754760742188 344.1818542480469 130977.96875 344.7358703613281 119.27586364746094 344.7712097167969 184.53555297851562 344.787353515625 184.2857208251953 344.8437805175781 41.97402572631836 344.9068908691406 88.31730651855469 344.97027587890625 67.17792510986328 344.9970703125 79.34782409667969 345.0496826171875 101.73484802246094 345.09686279296875 41.125 345.18389892578125 11807.9560546875 345.27294921875 120.48026275634766 345.3049621582031 49.816917419433594 345.3402099609375 55.782405853271484 345.42694091796875 65.30813598632812 345.4563903808594 74.6326904296875 345.6306457519531 52.094696044921875 345.72998046875 72.11363983154297 345.9754333496094 49.93965530395508 346.0138854980469 83.32653045654297 346.7631530761719 44.08035659790039 347.14471435546875 980.18505859375 347.4053039550781 69.80999755859375 348.0632629394531 54.810001373291016 348.1481018066406 53.014705657958984 348.17279052734375 106.17391204833984 349.1568908691406 135.37306213378906 350.14056396484375 70.93888854980469 360.1759338378906 5179.048828125 360.2633972167969 68.1200942993164 360.4394226074219 48.0625 361.16058349609375 2668.393310546875 361.2080383300781 77705.4609375 361.671875 225.22882080078125 361.708251953125 43.939144134521484 361.7677307128906 110.15332794189453 361.80963134765625 109.99490356445312 361.84033203125 88.7272720336914 361.9415283203125 116.88480377197266 361.9721374511719 52.360294342041016 362.0247497558594 109.68022918701172 362.06024169921875 66.51136016845703 362.1931457519531 53012.08984375 362.5030212402344 189.54444885253906 362.5478210449219 72.12281036376953 362.615234375 252.02459716796875 362.66009521484375 54.125 362.78741455078125 85.0494155883789 362.8231201171875 108.69429016113281 362.854736328125 59.244998931884766 362.95928955078125 156.45037841796875 363.064697265625 117.84005737304688 363.19476318359375 5873.896484375 363.2958679199219 142.66514587402344 364.5101623535156 55.011905670166016 366.3369445800781 45.125 371.2950744628906 49.43269348144531 376.72198486328125 44.625 376.85797119140625 142.249267578125 377.20880126953125 162.05357360839844 377.2740783691406 61.13869857788086 377.7803649902344 45.16345977783203 377.90203857421875 51.324153900146484 378.0298156738281 41.371212005615234 378.0675964355469 157.373291015625 378.108154296875 348.1571350097656 378.1869812011719 337543.125 378.7781066894531 267.8587646484375 378.8222351074219 131.22711181640625 378.8543395996094 146.60739135742188 378.903076171875 66.86143493652344 378.9262390136719 58.189125061035156 378.97467041015625 99.73579406738281 379.01177978515625 70.24732971191406 379.0888977050781 110.4668197631836 379.18914794921875 29919.111328125 379.2159729003906 19925.783203125 379.34649658203125 141.15557861328125 379.4002990722656 88.44047546386719 379.46258544921875 120.0 379.4940490722656 68.5399398803711 379.52960205078125 116.80551147460938 379.56512451171875 176.6805877685547 379.6055603027344 154.8445281982422 379.65283203125 83.40337371826172 379.6756591796875 104.75 379.7508850097656 80.05000305175781 379.8341369628906 90.33333587646484 379.848876953125 43.07500076293945 379.8908996582031 229.7200927734375 379.96551513671875 69.56143951416016 380.00946044921875 111.48026275634766 380.05841064453125 56.33333206176758 380.1196594238281 60.469154357910156 380.1548156738281 74.81636047363281 380.2207946777344 1746.1973876953125 380.28961181640625 114.62000274658203 380.4915466308594 61.030487060546875 380.5333557128906 72.875 380.5794982910156 50.35805130004883 380.6735534667969 53.20000076293945 381.1142272949219 50.778846740722656 381.6371765136719 50.084014892578125 383.4424133300781 78.69422912597656 384.70928955078125 50.04960250854492 386.1918029785156 183.24391174316406 390.1829833984375 313.90643310546875 390.7459411621094 54.469444274902344 396.17291259765625 213.52024841308594 405.20361328125 86.00140380859375 416.1981506347656 249.5500030517578 420.20269775390625 63.36111068725586 432.2000427246094 552.7258911132812 433.0954284667969 48.58333206176758 433.20489501953125 59.08035659790039 438.1844482421875 70.11428833007812 450.20782470703125 876.8204345703125 451.2125549316406 321.6049499511719 452.1986389160156 197.2987060546875 452.469482421875 64.76470947265625 453.2060241699219 181.52894592285156 453.5076599121094 47.010868072509766 455.2108154296875 306.00775146484375 456.19580078125 357.2798156738281 457.1904296875 57.7378044128418 467.233642578125 233.30584716796875 468.2232971191406 112.28070068359375 469.2081604003906 234.96832275390625 469.2230224609375 172.0664825439453 470.2143249511719 345.2259521484375 473.2225341796875 46.66666793823242 474.20697021484375 1148.9287109375 475.2044982910156 143.1661376953125 487.23834228515625 881.3577880859375 488.23907470703125 100.28571319580078 491.1156921386719 152.69619750976562 491.2336120605469 271.16326904296875 492.2193603515625 1796.669677734375 493.22271728515625 284.4467468261719 495.51873779296875 125.78150177001953 504.2659606933594 141.0246124267578 505.2503662109375 3866.60498046875 506.2513427734375 718.8534545898438 506.6906433105469 71.26667022705078 509.2406311035156 194.83712768554688 519.8406982421875 57.202274322509766 520.55322265625 43.76041793823242 521.761474609375 48.3967399597168 522.2274169921875 162.9351043701172 522.2763061523438 565.9115600585938 522.8762817382812 46.0 523.1781005859375 335.0168151855469 523.2608032226562 65286.4609375 523.7261352539062 101.49932098388672 523.7825317382812 59.04166793823242 523.8663940429688 111.85713958740234 523.9742431640625 76.77777862548828 524.1383056640625 75.13021850585938 524.1959838867188 228.10040283203125 524.2637329101562 8972.8720703125 524.4847412109375 143.80384826660156 524.593505859375 108.38941955566406 524.837646484375 118.49137878417969 528.2841796875 111.70417022705078 529.2556762695312 52.10745620727539 530.860107421875 42.33333206176758 538.210205078125 83.13043212890625 538.921875 149.40513610839844 539.7805786132812 61.16447448730469 540.1632690429688 76.65681457519531 540.2872924804688 82193.34375 540.948486328125 62.236637115478516 540.9769897460938 92.91810607910156 541.009033203125 100.35322570800781 541.0975952148438 92.8349380493164 541.144775390625 94.02122497558594 541.2301025390625 119.44000244140625 541.2904052734375 11243.35546875 541.4093017578125 95.39229583740234 541.538330078125 42.66666793823242 541.6806640625 80.53125 541.776611328125 95.60576629638672 541.8145141601562 40.22685241699219 541.9691772460938 44.0025520324707 542.266357421875 43.57500076293945 542.3092041015625 41.5 542.35009765625 54.778846740722656 544.06494140625 47.03845977783203 547.2289428710938 44.9113655090332 548.1635131835938 47.969261169433594 559.2125244140625 61.6173095703125 560.549072265625 44.29999923706055 581.7469482421875 174.18382263183594 622.6075439453125 58.26612854003906 660.9046630859375 53.48147964477539 675.6679077148438 45.00833511352539 711.8101806640625 46.91666793823242 714.8853149414062 54.52016067504883 727.5440673828125 55.735294342041016 729.3250122070312 89.62068939208984 761.8766479492188 71.4749984741211 797.2968139648438 47.603572845458984 809.1686401367188 80.03156280517578 827.8064575195312 96.88021087646484 839.6172485351562 60.242645263671875 870.358642578125 46.16128921508789 971.4765625 61.63333511352539 986.3917846679688 79.35555267333984 990.7247314453125 51.69565200805664 998.0767211914062 50.769229888916016 1038.07373046875 86.11206817626953 1077.8751220703125 137.03878784179688 1078.4375 43.28409194946289 1089.7562255859375 41.066490173339844 1115.1444091796875 68.02941131591797 1118.776611328125 43.0 1144.4749755859375 63.00186538696289 1155.555908203125 43.65322494506836 1191.29296875 58.290000915527344 1218.6966552734375 139.56333923339844 1228.4150390625 45.24137878417969 1502.9755859375 59.94117736816406 1510.497802734375 77.89286041259766 1564.2391357421875 47.474056243896484 1639.855224609375 102.19757843017578 1674.718505859375 44.01041793823242 1722.77392578125 54.01630401611328 1823.3023681640625 54.002777099609375 1831.2430419921875 43.05882263183594 1879.7979736328125 53.6326904296875 1893.75048828125 50.71934127807617 1933.3475341796875 65.00675964355469 1972.262451171875 43.08088302612305 END IONS BEGIN IONS TITLE=CCMSLIB00005723252 PEPMASS=540.288818 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=40.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_B10_Apramycin-sulfate.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Apramycin_40eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=N[C@@H]1[C@@H](O[C@H]2O[C@H]3[C@@H](O[C@H](O[C@@H]4[C@H](O)[C@@H](O)[C@H](N)[C@@H](CO)O4)[C@@H](NC)[C@H]3O)C[C@H]2N)[C@H](O)[C@@H](O)[C@H](N)C1 INCHI=InChI=1S/C21H41N5O11/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31/h5-21,26-32H,2-4,22-25H2,1H3/t5-,6+,7-,8+,9-,10-,11+,12+,13+,14-,15-,16-,17-,18+,19+,20-,21-/m1/s1 INCHIAUX=XZNUGFQTQHRASN-XQENGBIVSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723252 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723252 SCANS=19892 51.022377014160156 122.00454711914062 53.03867721557617 1049.513671875 53.97775650024414 40.77941131591797 55.017921447753906 1303.4913330078125 55.05426025390625 894.9586181640625 55.200469970703125 48.72793960571289 56.049808502197266 7329.58251953125 56.08472442626953 102.44999694824219 56.239234924316406 53.125 56.36663818359375 42.321807861328125 56.649452209472656 155.1737823486328 56.80615997314453 58.469444274902344 57.033538818359375 982.3275756835938 57.05724334716797 396.0390930175781 58.02890396118164 2043.659912109375 58.06510925292969 8094.2548828125 58.27436065673828 64.01190185546875 59.036808013916016 1623.205078125 59.06753921508789 291.6220397949219 60.04448699951172 19155.560546875 61.02961349487305 208.00247192382812 61.04866027832031 264.0411071777344 61.155677795410156 43.0 65.03861236572266 595.6795043945312 66.04151916503906 116.74568939208984 67.04120635986328 196.3012237548828 67.05394744873047 1755.2001953125 67.42102813720703 61.50893020629883 68.04950714111328 15651.1708984375 68.0810546875 195.0689697265625 68.60488891601562 49.328948974609375 68.61888122558594 59.01250076293945 68.99691009521484 96.01886749267578 69.03382110595703 4468.57666015625 69.0696792602539 325.9565124511719 70.03116607666016 902.6365356445312 70.06489562988281 4284.580078125 70.09719848632812 76.18382263183594 70.32140350341797 41.002357482910156 71.01274108886719 1566.0025634765625 71.04908752441406 532.7694702148438 71.06145477294922 544.0888061523438 72.01573181152344 175.12249755859375 72.04450225830078 34414.171875 72.07958221435547 694.5457763671875 72.13509368896484 38.1875 72.1972427368164 92.04960632324219 72.25758361816406 55.16569900512695 72.26831817626953 91.0367660522461 72.30372619628906 89.26535034179688 72.45753479003906 49.969261169433594 72.886474609375 57.002357482910156 73.02853393554688 2453.585693359375 73.04879760742188 456.25 73.0756607055664 304.8775939941406 73.22016906738281 57.20990753173828 73.2565689086914 116.28733825683594 74.0231704711914 71.15576934814453 74.0602035522461 29035.064453125 74.09569549560547 522.2178955078125 74.14608001708984 41.04941940307617 74.23877716064453 39.387821197509766 74.30265808105469 41.125 74.51306915283203 104.2249984741211 74.83842468261719 90.0227279663086 75.0630874633789 965.30615234375 76.03887939453125 334.2496643066406 78.0333480834961 203.6327667236328 79.05428314208984 413.8594665527344 80.04963684082031 3873.14404296875 80.77011108398438 40.36890411376953 81.03369140625 15207.712890625 81.27754974365234 43.96052551269531 81.28608703613281 72.35601043701172 82.02910614013672 3114.536865234375 82.06504821777344 9371.03515625 82.74165344238281 69.14673614501953 83.0364990234375 83.93888854980469 83.04922485351562 1717.524658203125 83.06098175048828 2454.491943359375 83.12761688232422 43.414215087890625 84.04428100585938 41503.140625 84.0806884765625 1781.0606689453125 84.289306640625 90.19999694824219 84.40524291992188 67.32327270507812 84.64163970947266 64.06649017333984 85.0042953491211 226.46017456054688 85.02839660644531 4479.27685546875 85.04617309570312 1248.0167236328125 85.07566833496094 395.4905700683594 85.60694885253906 83.1875 86.06005096435547 29259.921875 86.13230895996094 116.88005065917969 86.155029296875 56.905487060546875 86.25308990478516 69.44999694824219 86.35796356201172 46.100608825683594 86.37030792236328 53.0476188659668 87.04462432861328 983.316162109375 87.06332397460938 558.025146484375 87.58123016357422 45.923912048339844 88.01014709472656 214.80532836914062 88.03926086425781 1583.0023193359375 88.05635070800781 384.2783508300781 88.0757064819336 735.5300903320312 89.27808380126953 46.025001525878906 90.0549087524414 18529.275390625 90.09281921386719 283.0020446777344 90.11666870117188 80.31968688964844 90.13373565673828 44.66911697387695 90.25045013427734 56.894737243652344 91.03793334960938 173.12962341308594 91.0582046508789 677.7608032226562 91.61595916748047 64.67567443847656 92.0492935180664 836.3197021484375 93.05615997314453 420.70257568359375 93.36117553710938 59.51250076293945 94.06471252441406 8433.7880859375 94.10272216796875 125.73500061035156 94.2235107421875 52.78125 94.30460357666016 62.34722137451172 94.3255386352539 40.400001525878906 95.01212310791016 107.19538879394531 95.04932403564453 1139.0418701171875 95.05949401855469 1430.4141845703125 96.02488708496094 105.64852905273438 96.04425811767578 54715.953125 96.0813980102539 2494.208251953125 96.22474670410156 45.625 96.24982452392578 79.09722137451172 96.27469635009766 99.77857208251953 96.32466888427734 94.51612854003906 96.35311889648438 44.79999923706055 96.36873626708984 39.33333206176758 96.46481323242188 39.12036895751953 96.56758117675781 40.31578826904297 96.61492156982422 56.03955841064453 97.02816009521484 5725.73193359375 97.04730224609375 1988.322509765625 97.0763931274414 1556.5740966796875 97.420166015625 70.51058959960938 97.83729553222656 39.004032135009766 98.03089141845703 334.70513916015625 98.0599136352539 18701.72265625 98.09978485107422 293.6695861816406 98.20481872558594 48.556819915771484 98.25076293945312 48.66911697387695 98.32587432861328 62.2978401184082 99.0458755493164 2939.93359375 100.04041290283203 1386.2843017578125 100.07508850097656 1219.96337890625 101.02293395996094 512.0023193359375 101.07020568847656 841.696044921875 101.39778900146484 55.00211715698242 102.05467987060547 22054.337890625 102.09521484375 317.2638854980469 102.11810302734375 80.20529174804688 102.2060546875 41.88461685180664 102.32140350341797 61.11249923706055 102.33320617675781 49.11918640136719 103.03977966308594 64.40625 103.06233978271484 520.6024780273438 103.08740234375 143.81382751464844 104.04834747314453 223.2449951171875 104.0701904296875 941.8779296875 104.64964294433594 54.13793182373047 105.0660400390625 230.3296356201172 106.0647201538086 1337.3560791015625 107.0576171875 437.90673828125 107.50731658935547 63.56097412109375 108.0439453125 4867.767578125 108.08016967773438 3512.04736328125 108.29743957519531 101.20464324951172 108.34095001220703 72.5999984741211 108.41922760009766 38.60499954223633 108.6336898803711 72.38272857666016 109.02825927734375 7603.896484375 109.05109405517578 1449.4801025390625 109.07611846923828 4183.78857421875 109.30396270751953 59.01388931274414 110.03067016601562 395.78125 110.0597915649414 44037.85546875 110.2682113647461 60.756248474121094 110.31986999511719 60.599998474121094 110.33456420898438 48.68055725097656 110.38892364501953 62.67499923706055 110.40496826171875 52.77822494506836 110.43772888183594 120.91015625 110.49819946289062 40.79999923706055 110.58924865722656 38.040000915527344 110.70979309082031 41.0 111.00304412841797 56.43055725097656 111.04399871826172 42182.07421875 111.1919937133789 111.0837631225586 111.31346893310547 42.011905670166016 111.32198333740234 39.1136360168457 111.36109924316406 40.275001525878906 111.42156982421875 40.75 111.61395263671875 75.04960632324219 112.04429626464844 1743.421630859375 112.07513427734375 4894.66650390625 112.12274932861328 72.00657653808594 112.14299011230469 48.007354736328125 112.17573547363281 51.100807189941406 112.47059631347656 41.209999084472656 112.88384246826172 59.125 113.02244567871094 209.0425262451172 113.07022094726562 2744.459716796875 114.05452728271484 11846.9208984375 114.0898208618164 514.3499145507812 114.16980743408203 94.11918640136719 114.2613754272461 58.12009811401367 115.03768920898438 310.61505126953125 115.05718231201172 261.619384765625 115.08587646484375 265.4305419921875 116.07013702392578 7943.26513671875 116.57771301269531 54.67499923706055 116.67333984375 60.80277633666992 117.05406188964844 144.02647399902344 117.07278442382812 378.67498779296875 117.10408782958984 127.04166412353516 117.74979400634766 95.90740966796875 118.05003356933594 1974.36767578125 118.06330871582031 1299.133544921875 118.12264251708984 52.00806427001953 119.05809783935547 50.40999984741211 120.04501342773438 301.17266845703125 120.06472778320312 905.38525390625 120.07968139648438 965.5101928710938 120.89788818359375 42.061275482177734 121.02648162841797 163.97793579101562 121.05274200439453 1118.4735107421875 121.07621002197266 1346.149169921875 121.31873321533203 56.8203125 121.98517608642578 81.59574127197266 122.0595932006836 14196.599609375 122.130126953125 41.125 122.40278625488281 48.91666793823242 123.0435562133789 1145.3072509765625 123.06610107421875 1804.390380859375 123.09156799316406 1376.1212158203125 124.03910827636719 3177.20947265625 124.07508087158203 8270.3515625 124.14533233642578 50.59221267700195 124.20755004882812 67.71591186523438 124.6566390991211 38.79166793823242 125.02310943603516 379.7227783203125 125.07022094726562 2235.2041015625 125.10456848144531 168.9471435546875 125.91206359863281 54.0 126.02591705322266 170.71075439453125 126.0545883178711 61256.125 126.33326721191406 63.160255432128906 126.38219451904297 106.98767852783203 126.49722290039062 46.46106719970703 126.57923126220703 46.0239372253418 127.0384292602539 2245.561767578125 127.05697631835938 2182.160400390625 127.0860824584961 511.543212890625 127.23636627197266 76.02564239501953 128.03968811035156 142.1137237548828 128.0701904296875 33403.6796875 128.26080322265625 42.125 128.44656372070312 48.34375 128.63406372070312 67.59259033203125 128.736572265625 55.3125 129.0730438232422 942.5377807617188 130.04832458496094 265.258544921875 130.06442260742188 429.0054626464844 130.08584594726562 1156.5732421875 130.2272186279297 61.76483154296875 131.08297729492188 47.67499923706055 132.04481506347656 3088.458251953125 132.06509399414062 1236.610107421875 133.02694702148438 357.5696716308594 133.04747009277344 254.420166015625 133.07542419433594 206.06312561035156 134.05972290039062 1648.2821044921875 134.08290100097656 1026.913818359375 134.13340759277344 76.6022720336914 134.59295654296875 163.22715759277344 134.82228088378906 43.44499969482422 135.0648193359375 884.4099731445312 135.0912628173828 14162.380859375 135.16702270507812 42.11574172973633 135.37803649902344 51.90909194946289 135.3968963623047 38.004310607910156 136.0372314453125 124.49729919433594 136.0752410888672 14854.376953125 136.15306091308594 64.65322875976562 137.0726318359375 1549.64306640625 137.1064453125 227.1492462158203 138.0543975830078 5879.26123046875 138.08987426757812 593.0111694335938 138.25364685058594 47.889705657958984 139.03790283203125 489.8790283203125 139.0593719482422 405.8138427734375 139.0868682861328 2629.67333984375 139.13192749023438 51.40909194946289 140.0701446533203 13813.0947265625 140.1348114013672 85.93939208984375 140.23916625976562 74.30000305175781 140.3087921142578 72.04960632324219 140.3750762939453 44.880435943603516 141.07406616210938 716.8367309570312 141.09918212890625 125.3268051147461 142.0491485595703 16353.724609375 142.08506774902344 2231.668212890625 142.12583923339844 47.22685241699219 142.203857421875 51.36526107788086 142.32025146484375 52.544490814208984 142.42601013183594 75.11538696289062 142.63502502441406 73.38095092773438 143.05410766601562 454.4820556640625 143.08111572265625 887.124755859375 143.5278778076172 57.0625 143.76504516601562 38.016666412353516 144.06521606445312 47853.5234375 144.2460174560547 136.28517150878906 144.28289794921875 77.07967376708984 144.29913330078125 67.64473724365234 144.3357391357422 46.06617736816406 144.3651885986328 41.147369384765625 144.4351806640625 205.8395233154297 144.46963500976562 49.11556625366211 144.6372528076172 56.056251525878906 145.04629516601562 92.14405059814453 145.07171630859375 2866.001708984375 145.09681701660156 15199.4638671875 145.23597717285156 58.6875 146.059326171875 1344.256103515625 146.0806884765625 5413.94873046875 146.2199249267578 46.625 146.54299926757812 40.11136245727539 147.0614013671875 129.7294464111328 147.09117126464844 818.2083129882812 148.03860473632812 600.6286010742188 148.07431030273438 990.4005126953125 148.09844970703125 299.0099792480469 149.0453643798828 140.35577392578125 149.07241821289062 818.0073852539062 149.10655212402344 302.22454833984375 150.05455017089844 12186.4150390625 150.38902282714844 40.2717399597168 150.99920654296875 164.4375 151.03842163085938 2154.2900390625 151.05589294433594 715.1082153320312 151.0863800048828 4311.76416015625 151.37001037597656 46.419776916503906 152.0415802001953 145.0 152.0702362060547 3212.804931640625 152.09397888183594 10155.259765625 152.24710083007812 40.0 152.30755615234375 75.77564239501953 152.7620849609375 52.85141372680664 153.07669067382812 769.3856201171875 153.10191345214844 9568.25390625 153.40725708007812 49.011905670166016 154.0856170654297 5900.08349609375 154.1333465576172 78.9184799194336 154.1739044189453 87.96005249023438 154.74073791503906 55.66666793823242 155.08541870117188 737.5734252929688 155.4156951904297 76.45564270019531 156.06520080566406 3518.2880859375 156.10174560546875 326.4432678222656 156.8270263671875 42.09000015258789 157.06748962402344 144.85951232910156 157.09707641601562 3221.177734375 157.14471435546875 58.034481048583984 157.18833923339844 39.5 157.65223693847656 168.811767578125 158.07998657226562 1088.7821044921875 159.11175537109375 280.4627990722656 159.4207305908203 47.1953125 160.0758514404297 826.3678588867188 160.09588623046875 832.6791381835938 161.0713653564453 531.77783203125 161.10537719726562 134.9202117919922 162.0544891357422 377.18511962890625 162.07598876953125 77598.8359375 162.38560485839844 65.17500305175781 162.41644287109375 49.142242431640625 162.45497131347656 136.72413635253906 162.48619079589844 74.11111450195312 162.55091857910156 57.889286041259766 162.59422302246094 87.36111450195312 162.62144470214844 77.7202377319336 162.65155029296875 67.95270538330078 162.7869415283203 89.35601043701172 162.99305725097656 135.75 163.02737426757812 42.04999923706055 163.05654907226562 223.01190185546875 163.0861053466797 16069.5712890625 163.10757446289062 71213.2734375 163.39295959472656 87.7549819946289 163.41226196289062 60.985626220703125 163.53323364257812 67.00218963623047 163.56634521484375 61.68597412109375 163.62623596191406 80.10526275634766 163.67530822753906 69.0459213256836 163.88671875 56.04166793823242 163.92510986328125 78.6956558227539 164.07022094726562 10450.4453125 164.1106719970703 3523.54541015625 164.17286682128906 99.57398223876953 164.22276306152344 92.15277862548828 164.24205017089844 58.04999923706055 164.28585815429688 47.94230651855469 165.07350158691406 646.0178833007812 165.10238647460938 1854.30615234375 166.08721923828125 1415.4498291015625 167.05581665039062 163.1015167236328 167.082275390625 918.379150390625 168.0280303955078 129.55682373046875 168.06500244140625 17449.6015625 168.1003875732422 1007.2091674804688 168.26382446289062 47.165321350097656 168.32752990722656 210.38888549804688 168.34732055664062 49.66666793823242 168.4001922607422 60.0 168.5464324951172 70.93939208984375 168.84222412109375 53.6136360168457 169.06927490234375 1325.90087890625 169.0965118408203 2822.6455078125 170.0817108154297 3434.84423828125 170.35609436035156 71.24137878417969 170.78152465820312 38.03628921508789 171.0883331298828 72.4000015258789 171.11251831054688 1356.1796875 172.0587921142578 617.0546875 172.07456970214844 664.0025024414062 172.0961456298828 4129.45703125 172.14952087402344 50.882354736328125 173.09188842773438 6376.90771484375 173.1433563232422 96.21052551269531 173.27561950683594 58.40833282470703 173.55104064941406 49.91755294799805 173.7412872314453 41.0 174.073974609375 850.3070068359375 174.09393310546875 347.5034484863281 175.08596801757812 511.5654602050781 175.1066131591797 6076.6650390625 176.03353881835938 228.14999389648438 176.07032775878906 1195.0250244140625 176.10955810546875 112.71195983886719 176.29794311523438 137.5808868408203 176.7371826171875 49.852272033691406 177.07131958007812 75.1276626586914 177.1023712158203 931.1610107421875 177.14015197753906 46.272727966308594 178.04591369628906 340.4105224609375 178.07113647460938 310.76483154296875 178.08517456054688 271.98779296875 178.7716827392578 66.39102935791016 179.0810089111328 553.0839233398438 179.11663818359375 332.5216369628906 180.06533813476562 957.8485717773438 180.08651733398438 9867.794921875 180.1395263671875 159.4866485595703 180.3292236328125 47.39130401611328 180.36526489257812 72.6864013671875 181.096923828125 25627.61328125 181.28561401367188 54.07692337036133 181.42953491210938 77.77593994140625 181.5565643310547 91.76041412353516 181.7993927001953 41.889286041259766 182.08099365234375 13057.310546875 182.4779052734375 74.65097045898438 183.0829620361328 774.9319458007812 183.1114501953125 2347.41748046875 184.0962371826172 3158.219970703125 184.12210083007812 480.01123046875 185.07057189941406 398.4499206542969 185.09190368652344 1055.8975830078125 185.12887573242188 105.03333282470703 185.23533630371094 47.15999984741211 185.58038330078125 49.37061309814453 186.0757598876953 1395.4532470703125 186.09742736816406 1660.33642578125 187.08494567871094 197.32249450683594 187.1074981689453 10382.259765625 187.1638946533203 91.96710205078125 187.34963989257812 51.33333206176758 188.0687713623047 215.40191650390625 188.09080505371094 389.38037109375 188.1074981689453 576.0911865234375 188.1647491455078 42.693965911865234 189.0827178955078 241.52113342285156 189.10116577148438 444.0037841796875 189.12217712402344 261.28521728515625 189.9813995361328 48.880435943603516 190.0711212158203 842.6505737304688 190.083984375 696.14990234375 190.1831817626953 39.689998626708984 191.082763671875 695.8516235351562 191.11630249023438 145.72889709472656 192.0664520263672 723.657470703125 192.0980682373047 150.48077392578125 193.09571838378906 188.40322875976562 193.84429931640625 96.421875 194.0961456298828 307.81634521484375 195.08840942382812 240.10061645507812 195.11270141601562 998.7162475585938 195.55172729492188 76.46915435791016 196.0754852294922 246.28269958496094 196.09490966796875 435.16357421875 196.31825256347656 39.59840393066406 196.60562133789062 38.25 197.0924835205078 463.9169006347656 197.1176300048828 449.8387145996094 198.07456970214844 311.552001953125 198.0985107421875 434.498779296875 198.1217803955078 276.21539306640625 199.03707885742188 130.22500610351562 199.08514404296875 1081.620849609375 199.1077880859375 115132.953125 199.56936645507812 66.64015197753906 199.61221313476562 59.65681838989258 199.6361541748047 87.09423065185547 199.65846252441406 86.8125 199.7158203125 70.5953369140625 199.7459259033203 50.39112854003906 199.79176330566406 79.93431854248047 199.87315368652344 70.11918640136719 199.93675231933594 98.12742614746094 199.97950744628906 45.00961685180664 200.003662109375 46.925926208496094 200.0924530029297 31538.33203125 200.30360412597656 82.07205963134766 200.31898498535156 68.67350769042969 200.676513671875 111.81636047363281 200.76556396484375 92.40653228759766 200.8050079345703 73.00862121582031 200.84054565429688 51.58035659790039 201.09454345703125 1701.890625 201.12295532226562 20888.55078125 201.2828826904297 72.03030395507812 201.3423309326172 85.48664855957031 201.519287109375 40.00925827026367 201.7826385498047 39.04166793823242 202.07345581054688 955.3937377929688 202.12353515625 1392.9102783203125 202.18038940429688 38.25961685180664 203.07899475097656 231.48193359375 203.10072326660156 540.7396240234375 203.12648010253906 256.351806640625 204.099365234375 276.8648681640625 204.25929260253906 49.16666793823242 205.06764221191406 87.93882751464844 205.0984649658203 422.1214904785156 205.1314697265625 66.36742401123047 206.08010864257812 783.5328979492188 207.04745483398438 67.36111450195312 207.07876586914062 241.34986877441406 207.1121826171875 816.453125 208.097412109375 176.60079956054688 209.0907745361328 366.0434265136719 209.1273651123047 158.39657592773438 209.27822875976562 163.58241271972656 209.4082794189453 39.26041793823242 210.0752410888672 859.7537231445312 210.13369750976562 215.4545440673828 211.07826232910156 144.5651397705078 211.1075439453125 3868.493896484375 212.10440063476562 567.9881591796875 213.12313842773438 3825.685302734375 213.17942810058594 59.01250076293945 213.68682861328125 44.560001373291016 213.701171875 47.17161178588867 214.08956909179688 55.387821197509766 214.12020874023438 494.408447265625 214.34140014648438 72.35555267333984 215.08045959472656 155.35824584960938 215.103271484375 234.1488037109375 215.12547302246094 150.2091522216797 215.9001922607422 119.21959686279297 216.06689453125 240.70416259765625 216.10885620117188 299.0690612792969 216.13308715820312 1168.34326171875 216.25347900390625 67.56756591796875 217.11801147460938 387339.84375 217.57266235351562 140.2677459716797 217.61167907714844 166.34132385253906 217.6484832763672 151.03250122070312 217.71043395996094 188.38812255859375 217.7688751220703 99.58316802978516 217.81138610839844 101.10416412353516 217.83396911621094 139.2948760986328 217.94744873046875 53.7492561340332 218.07997131347656 525.9470825195312 218.1212158203125 21526.576171875 218.23974609375 94.34259033203125 218.29534912109375 167.6531219482422 218.43093872070312 106.80146789550781 218.50189208984375 48.64015197753906 218.626953125 66.11428833007812 218.68429565429688 41.165985107421875 218.7147216796875 70.00357055664062 218.8306427001953 44.52083206176758 218.87454223632812 40.761905670166016 219.11264038085938 245.2042999267578 219.1337127685547 246.63475036621094 219.1790313720703 61.16345977783203 219.3584442138672 79.03433990478516 220.09906005859375 144.55624389648438 220.48046875 47.59868240356445 221.09056091308594 255.52090454101562 221.1266632080078 223.19032287597656 222.12303161621094 75.38844299316406 222.69259643554688 73.01461029052734 223.08657836914062 90.48999786376953 223.10812377929688 1649.5025634765625 224.09112548828125 792.9107055664062 224.1116180419922 362.8900146484375 224.1380157470703 413.3773193359375 225.093505859375 304.8777770996094 225.1223602294922 3483.619384765625 225.18234252929688 48.306819915771484 225.42648315429688 47.034481048583984 226.09327697753906 563.16552734375 226.11502075195312 479.4464416503906 226.12965393066406 497.7218933105469 226.24171447753906 50.46154022216797 226.47801208496094 122.9780502319336 227.1024932861328 2862.55322265625 227.14471435546875 390.7566223144531 227.23411560058594 45.82045364379883 228.08404541015625 464.1413269042969 228.1040802001953 247.16256713867188 228.13406372070312 3234.005126953125 228.1981658935547 38.0 229.0913543701172 153.13150024414062 229.1186065673828 3545.313232421875 230.0871124267578 210.0 230.1211395263672 292.1837158203125 230.14964294433594 2841.304931640625 231.11276245117188 623.7303466796875 231.13319396972656 832.888916015625 232.05923461914062 49.25 232.09629821777344 181.75625610351562 233.0924530029297 208.00933837890625 233.1121368408203 285.6181335449219 234.0631866455078 79.00595092773438 234.09539794921875 393.035400390625 234.12295532226562 88.68597412109375 235.10740661621094 1941.3795166015625 236.1072235107422 388.642333984375 237.1228790283203 2871.97509765625 237.18154907226562 46.55147171020508 238.1215057373047 287.48016357421875 239.10145568847656 541.2485961914062 239.13880920410156 786.013427734375 240.0849609375 334.79718017578125 240.13368225097656 527.6466064453125 241.1181640625 2648.468994140625 241.5589141845703 44.032142639160156 242.12283325195312 153.76190185546875 242.15036010742188 833.4434204101562 243.1077117919922 119.48007202148438 243.13377380371094 4145.7119140625 243.17739868164062 83.52155303955078 244.10389709472656 181.12744140625 245.11105346679688 477.29766845703125 245.1461944580078 165.14178466796875 246.0937957763672 186.0006103515625 246.1172332763672 145.10397338867188 246.14247131347656 368.0708312988281 247.1068115234375 371.9869384765625 248.1367950439453 52.16581726074219 249.1223602294922 1292.5008544921875 250.1183319091797 308.53521728515625 251.10104370117188 246.6566162109375 252.13429260253906 622.42138671875 252.41416931152344 97.25521087646484 252.4965057373047 43.0025520324707 253.0625457763672 91.5 253.11782836914062 12109.9638671875 253.1786651611328 130.06666564941406 253.2686004638672 46.44047546386719 253.38967895507812 55.032142639160156 253.4078369140625 44.04999923706055 253.43707275390625 43.06666564941406 254.1020050048828 698.224609375 254.125732421875 3914.468017578125 254.2025604248047 76.22256469726562 254.8579559326172 71.24852752685547 254.88058471679688 57.07267379760742 255.11021423339844 125.64015197753906 255.1329803466797 5332.2314453125 255.19618225097656 67.11764526367188 255.92921447753906 66.10526275634766 256.12762451171875 280.0445556640625 256.16351318359375 555.9812622070312 256.2735900878906 67.20166778564453 256.4960632324219 43.11556625366211 257.1139221191406 1693.91015625 257.16656494140625 154.1702117919922 258.1166687011719 245.36134338378906 258.1429138183594 203.05833435058594 259.10595703125 1433.52685546875 259.1273498535156 1269.4921875 259.7037048339844 48.09375 260.09130859375 409.70050048828125 260.11181640625 444.5850524902344 260.15380859375 114.6052017211914 260.4894714355469 66.2258071899414 261.1217346191406 70.19145202636719 261.1455383300781 92.00568389892578 262.1501770019531 114.64552307128906 263.1330871582031 234.9583282470703 264.1033935546875 163.9633331298828 264.1329650878906 366.60980224609375 264.50482177734375 59.00265884399414 265.1186828613281 853.3828125 265.1730651855469 140.12710571289062 266.1017150878906 203.15802001953125 266.12384033203125 477.60772705078125 266.1515197753906 1081.2825927734375 266.7876281738281 53.48147964477539 267.0954895019531 54.578948974609375 267.1339416503906 1668.32421875 268.1296081542969 267.73553466796875 268.1643981933594 245.3600311279297 269.6765441894531 43.681819915771484 270.0981750488281 154.32154846191406 270.1449279785156 3515.97998046875 271.08514404296875 145.01492309570312 271.128662109375 38200.65234375 271.3377685546875 40.604244232177734 271.3796081542969 77.61280822753906 271.6534729003906 81.03225708007812 271.8511962890625 48.66666793823242 272.1336669921875 2293.003173828125 272.9803771972656 73.2368392944336 273.1439208984375 4727.681640625 273.2386474609375 40.25 273.50958251953125 115.4385986328125 274.1241455078125 196.876220703125 274.1438293457031 353.26629638671875 275.0235595703125 74.89189147949219 275.1021728515625 70.46915435791016 276.13433837890625 456.7523193359375 277.0426940917969 131.0895538330078 277.1178283691406 2526.641845703125 278.10125732421875 248.9252471923828 278.12310791015625 240.4007568359375 278.14703369140625 100.29656982421875 279.1567077636719 493.273681640625 280.12945556640625 162.22500610351562 280.1656188964844 2049.945068359375 281.1590270996094 216.40834045410156 282.1188049316406 82.35539245605469 282.1448059082031 806.0332641601562 283.12725830078125 814.7072143554688 284.0669250488281 106.34404754638672 284.1597595214844 506.9263610839844 285.14532470703125 630.1495361328125 286.1494445800781 44.22368240356445 287.12152099609375 295.4536437988281 288.10577392578125 111.66864776611328 288.1535339355469 435.125 289.13916015625 16916.35546875 289.20953369140625 161.1488037109375 289.5135192871094 38.29166793823242 289.5899353027344 51.68144989013672 289.7241516113281 42.328948974609375 290.10308837890625 64.04166412353516 290.14666748046875 2597.00048828125 291.1341857910156 965.5294189453125 291.20086669921875 61.125 293.11065673828125 318.7977600097656 293.1344909667969 248.8395538330078 294.09466552734375 163.17018127441406 294.1438903808594 1444.7930908203125 295.1287536621094 6762.10009765625 296.1310729980469 449.1985778808594 296.1578674316406 241.67013549804688 297.1664733886719 448.17486572265625 297.9564208984375 39.00265884399414 298.1386413574219 285.28448486328125 298.17669677734375 328.2114562988281 300.1554260253906 441.1558532714844 301.1416015625 242.28675842285156 301.1845397949219 57.20000076293945 302.9487609863281 63.72321319580078 305.1328125 345.69287109375 305.1509704589844 224.64627075195312 305.18682861328125 44.84375 307.1261901855469 182.77011108398438 307.1758728027344 391.25531005859375 308.10052490234375 69.00227355957031 308.160888671875 5393.375 308.2560119628906 59.08695602416992 309.1543884277344 432.4713134765625 309.356201171875 54.17763137817383 311.1224060058594 71.60356903076172 311.14520263671875 78.92008209228516 312.15570068359375 4248.28076171875 312.8649597167969 41.390625 313.138916015625 13888.755859375 313.2843933105469 49.79999923706055 313.6276550292969 56.01630401611328 313.6768493652344 45.019737243652344 313.72686767578125 81.85832977294922 314.141357421875 1261.14404296875 314.2139892578125 47.375 317.16912841796875 144.8333282470703 323.1430358886719 55.599998474121094 324.15460205078125 134.51219177246094 324.2490539550781 48.64015197753906 325.13946533203125 360.1007995605469 325.18646240234375 1924.3001708984375 326.00860595703125 226.5454559326172 326.17047119140625 7005.97509765625 326.6805114746094 41.570945739746094 327.17047119140625 466.4412841796875 329.1348571777344 253.14990234375 329.15594482421875 333.3628234863281 330.1658630371094 2571.5458984375 330.4630126953125 41.11111068725586 330.6665954589844 42.25 331.1578063964844 290.32659912109375 332.1593933105469 234.52090454101562 333.86090087890625 43.003204345703125 337.1351623535156 155.6666717529297 338.170654296875 80.69827270507812 340.2580871582031 134.02960205078125 342.1651916503906 178.3526611328125 343.1500549316406 751.3875732421875 343.1973876953125 1613.44287109375 343.8299560546875 65.5227279663086 344.1812744140625 6653.24169921875 344.2689208984375 61.20500183105469 344.4328918457031 100.0051040649414 345.09295654296875 82.0887680053711 345.184326171875 468.0120849609375 345.86224365234375 68.84121704101562 346.60888671875 52.18939208984375 349.05950927734375 43.90131759643555 355.14813232421875 239.63558959960938 360.1716003417969 169.42352294921875 361.16021728515625 503.2293701171875 361.2039794921875 766.3134765625 362.1257019042969 40.786766052246094 362.1920166015625 1916.7901611328125 363.0257568359375 49.266510009765625 363.19476318359375 61.14285659790039 372.92999267578125 43.34722137451172 378.1860656738281 1064.603271484375 379.1854248046875 286.0434875488281 379.2142639160156 195.9014129638672 383.9604797363281 42.24137878417969 388.4500732421875 39.04999923706055 394.8968200683594 38.778846740722656 397.4430236816406 94.0297622680664 400.2764892578125 69.04663848876953 410.1838684082031 92.89604949951172 415.16949462890625 113.79032135009766 415.1919860839844 128.3498077392578 426.1804504394531 67.88095092773438 429.5945739746094 42.387821197509766 432.1948547363281 133.22727966308594 433.19873046875 94.5372314453125 433.4606628417969 40.08695602416992 436.38250732421875 60.83333206176758 438.17559814453125 50.721153259277344 447.1043701171875 80.01210021972656 450.93841552734375 68.88021087646484 469.2301940917969 164.08999633789062 470.2166442871094 119.4237289428711 473.217529296875 49.0529670715332 473.4441223144531 77.00186920166016 476.52606201171875 103.87931060791016 505.2441711425781 68.5999984741211 511.62274169921875 44.202274322509766 525.2122802734375 67.27173614501953 557.5151977539062 59.25925827026367 561.4134521484375 40.83695602416992 582.3521728515625 102.70270538330078 583.864013671875 55.10810852050781 599.277587890625 44.68965530395508 620.4577026367188 55.47093200683594 625.6547241210938 43.36111068725586 640.7572631835938 50.0024528503418 655.716064453125 46.09722137451172 668.5482788085938 51.2068977355957 676.5526733398438 49.17763137817383 683.6251831054688 40.136112213134766 726.749755859375 72.2256088256836 728.1152954101562 55.0025520324707 818.4691162109375 43.28571319580078 832.7946166992188 41.06666564941406 867.8331298828125 58.26612854003906 913.0624389648438 45.92307662963867 941.2758178710938 42.26041793823242 975.9039306640625 44.431121826171875 1007.0435180664062 51.4900016784668 1028.033935546875 65.3255844116211 1031.375732421875 40.73975372314453 1039.3961181640625 45.2195930480957 1053.1241455078125 52.5625 1085.2840576171875 46.886627197265625 1143.0303955078125 52.0 1166.3382568359375 41.44047546386719 1187.111328125 67.6816635131836 1254.13037109375 46.003047943115234 1281.78955078125 56.136112213134766 1337.4781494140625 93.640625 1399.7113037109375 70.84027862548828 1401.8514404296875 70.34883880615234 1418.0655517578125 73.18408966064453 1441.7545166015625 38.5 1450.703369140625 99.69230651855469 1467.2388916015625 53.90674591064453 1477.0257568359375 59.125 1481.329833984375 57.72665023803711 1525.5220947265625 61.777984619140625 1541.4967041015625 85.58026123046875 1552.2313232421875 60.82276153564453 1619.927001953125 56.66273498535156 1624.8160400390625 43.42241287231445 1640.404052734375 45.00227355957031 1701.248291015625 41.907257080078125 1718.4383544921875 39.058963775634766 1828.243896484375 56.0476188659668 1877.5380859375 43.07621765136719 1881.783203125 124.1551742553711 1988.7508544921875 46.17161178588867 END IONS BEGIN IONS TITLE=CCMSLIB00005723253 PEPMASS=540.288818 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=50.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_B10_Apramycin-sulfate.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Apramycin_50eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=N[C@@H]1[C@@H](O[C@H]2O[C@H]3[C@@H](O[C@H](O[C@@H]4[C@H](O)[C@@H](O)[C@H](N)[C@@H](CO)O4)[C@@H](NC)[C@H]3O)C[C@H]2N)[C@H](O)[C@@H](O)[C@H](N)C1 INCHI=InChI=1S/C21H41N5O11/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31/h5-21,26-32H,2-4,22-25H2,1H3/t5-,6+,7-,8+,9-,10-,11+,12+,13+,14-,15-,16-,17-,18+,19+,20-,21-/m1/s1 INCHIAUX=XZNUGFQTQHRASN-XQENGBIVSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723253 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723253 SCANS=20224 51.32039260864258 21.132352828979492 51.36259460449219 37.644737243652344 52.30669403076172 54.485294342041016 53.039031982421875 1947.0888671875 53.05937957763672 74.29762268066406 53.11953353881836 84.01071166992188 53.14270782470703 38.444766998291016 53.59860610961914 116.69605255126953 54.034088134765625 849.7200317382812 55.0178108215332 2661.86572265625 55.054317474365234 2953.51123046875 55.082820892333984 66.69230651855469 55.12579345703125 16.446428298950195 55.30282974243164 33.061275482177734 55.34927749633789 19.066177368164062 55.63180923461914 48.78409194946289 55.75590896606445 25.245689392089844 55.97859191894531 16.102272033691406 56.04975128173828 15863.9990234375 56.09727478027344 50.17378234863281 56.11039352416992 78.61000061035156 56.184688568115234 29.04166603088379 56.24161148071289 31.43214225769043 56.30670928955078 49.01785659790039 56.34324645996094 56.02206039428711 56.779319763183594 18.048913955688477 57.033721923828125 605.8007202148438 57.05691146850586 1567.421142578125 57.06913375854492 495.8855285644531 57.27755355834961 45.010868072509766 58.02888870239258 2155.208251953125 58.05060958862305 193.2236785888672 58.06538391113281 7628.45166015625 58.09652328491211 165.02349853515625 58.14866638183594 26.900861740112305 58.18996047973633 40.29166793823242 58.2116584777832 23.071428298950195 58.286495208740234 29.13306427001953 58.32828903198242 24.072673797607422 58.904415130615234 26.339284896850586 59.03710174560547 2133.36279296875 59.06605529785156 519.0083618164062 59.10346984863281 67.1328125 60.044593811035156 34433.3515625 60.074214935302734 628.2061157226562 60.124576568603516 76.46370697021484 60.15104293823242 20.69230842590332 60.17698287963867 64.78125 60.186004638671875 20.053571701049805 60.19923782348633 44.54166793823242 60.21878433227539 30.36111068725586 60.23720169067383 22.08445930480957 60.266849517822266 28.612499237060547 60.28306198120117 32.570945739746094 60.296504974365234 43.384090423583984 60.4797248840332 14.889705657958984 60.53428649902344 42.959999084472656 60.585365295410156 31.02616310119629 60.652957916259766 25.100807189941406 60.774715423583984 64.06881713867188 61.029422760009766 520.2208251953125 61.04813003540039 190.9396514892578 62.062496185302734 88.05113983154297 62.429012298583984 39.0 65.03866577148438 270.653076171875 66.93439483642578 62.25 67.04166412353516 454.43804931640625 67.05403900146484 2571.01513671875 67.08636474609375 23.01388931274414 67.33699035644531 31.028846740722656 67.913818359375 35.5113639831543 68.01116180419922 42.431121826171875 68.037109375 146.25 68.04949951171875 32009.640625 68.13722229003906 20.480770111083984 68.15670776367188 31.20833396911621 68.2273178100586 57.03845977783203 68.34664916992188 49.275001525878906 68.3753662109375 22.816667556762695 68.44425201416016 15.363636016845703 68.49453735351562 16.25 68.54296875 76.69444274902344 68.97857666015625 28.032142639160156 69.0337905883789 8517.2021484375 69.06825256347656 343.8125 69.1903305053711 21.173076629638672 69.26017761230469 17.111841201782227 69.52243041992188 15.78125 70.0284652709961 2250.479248046875 70.0650405883789 9579.423828125 70.09968566894531 143.2311248779297 70.11080932617188 82.87903594970703 70.16231536865234 36.125 70.19625091552734 37.884803771972656 70.2353286743164 25.163461685180664 70.24571228027344 18.090909957885742 71.01278686523438 1125.4464111328125 71.03467559814453 90.18560791015625 71.04896545410156 986.0975341796875 71.0601806640625 1846.2061767578125 71.30321502685547 23.22222137451172 71.50567626953125 24.072673797607422 71.68692779541016 18.55681800842285 71.80945587158203 76.34626770019531 72.01654052734375 206.78240966796875 72.04457092285156 53411.9453125 72.19654083251953 44.04166793823242 72.2258071899414 76.6875 72.2404556274414 33.720237731933594 72.26858520507812 42.53779220581055 72.29092407226562 46.92045593261719 72.30659484863281 38.058963775634766 72.31751251220703 104.0452880859375 72.32952880859375 110.3719482421875 72.34825897216797 52.2976188659668 72.36420440673828 18.285715103149414 72.39837646484375 18.532894134521484 72.41629791259766 238.12704467773438 72.45730590820312 49.4766960144043 73.02862548828125 2633.650390625 73.05086517333984 1393.3758544921875 73.07579803466797 722.4879150390625 73.31023406982422 14.25 73.9367446899414 18.053571701049805 74.02396392822266 332.6872863769531 74.06011199951172 41925.73046875 74.17283630371094 15.125 74.20340728759766 148.4628448486328 74.22576141357422 29.375 74.26006317138672 68.60713958740234 74.2824935913086 78.58036041259766 74.29036712646484 33.44643020629883 74.3074722290039 38.01250076293945 74.41825103759766 27.019229888916016 74.44348907470703 26.645000457763672 74.52762603759766 16.625 74.6583251953125 21.875 74.7811508178711 25.06944465637207 74.81726837158203 32.32661437988281 75.04328918457031 78.7755355834961 75.06268310546875 440.46990966796875 75.15187072753906 89.58026123046875 76.0391616821289 235.3740234375 77.0390853881836 713.0244140625 78.03472900390625 212.1717529296875 78.40020751953125 36.79999923706055 79.05400848388672 1064.689697265625 79.35943603515625 17.226852416992188 80.04926300048828 9226.42578125 80.08871459960938 99.0387954711914 80.2238540649414 38.33333206176758 80.37127685546875 29.38888931274414 80.50501251220703 23.036291122436523 80.6252670288086 40.480262756347656 81.03339385986328 20934.216796875 81.09138488769531 89.5250015258789 81.1114730834961 51.778846740722656 81.17000579833984 16.11111068725586 81.23359680175781 14.69444465637207 81.36404418945312 30.390625 81.47062683105469 18.149999618530273 81.65872192382812 23.64285659790039 81.82875061035156 98.33885192871094 82.02912902832031 5257.953125 82.06501770019531 18139.009765625 82.10045623779297 236.1875 82.1431884765625 18.321428298950195 82.16309356689453 35.75 82.1829605102539 38.77941131591797 82.29388427734375 27.149999618530273 82.3314208984375 22.25 82.34117126464844 29.842105865478516 82.37014770507812 50.90042495727539 82.42623138427734 26.30681800842285 82.48928833007812 46.275001525878906 82.61518096923828 16.5 82.76268768310547 15.800000190734863 82.83949279785156 25.035715103149414 83.01342010498047 512.8705444335938 83.03569793701172 314.3486022949219 83.0491714477539 4772.8330078125 83.05937194824219 3791.430419921875 83.1241455078125 87.50701904296875 83.25745391845703 21.019229888916016 83.33060455322266 35.71428680419922 84.0107192993164 104.71014404296875 84.04427337646484 60311.12890625 84.08031463623047 2430.303955078125 84.23634338378906 33.06578826904297 84.28546142578125 93.8525619506836 84.30316162109375 35.005001068115234 84.32170104980469 29.81818199157715 84.33829498291016 43.005001068115234 84.35470581054688 54.375 84.39594268798828 68.13587188720703 84.42755126953125 29.107759475708008 84.46237182617188 15.050000190734863 84.48161315917969 23.29166603088379 84.54609680175781 40.227272033691406 84.67339324951172 37.0078125 84.8148422241211 15.008333206176758 85.0282974243164 8007.70068359375 85.048583984375 2619.285400390625 85.07532501220703 1218.8460693359375 85.11378479003906 16.164474487304688 85.26555633544922 15.083333015441895 85.31672668457031 74.0703125 85.34905242919922 18.035715103149414 85.4933853149414 30.570945739746094 85.64755249023438 15.1875 86.02369689941406 90.2368392944336 86.06008911132812 55342.2421875 86.21109008789062 57.010868072509766 86.2302017211914 29.038793563842773 86.24871063232422 104.5941390991211 86.28813934326172 59.025001525878906 86.298095703125 20.011363983154297 86.32494354248047 17.049999237060547 86.34371948242188 57.136192321777344 86.35977172851562 46.20833206176758 86.38819122314453 18.75 86.4852294921875 44.05555725097656 86.5335693359375 23.125 86.57276153564453 102.4010009765625 87.0435562133789 1472.4830322265625 87.06084442138672 1266.6544189453125 87.091796875 445.0902404785156 87.13805389404297 17.11111068725586 87.196533203125 33.440216064453125 87.23595428466797 33.0113639831543 87.49523162841797 39.31578826904297 88.0394287109375 2789.715087890625 88.07504272460938 1144.0260009765625 88.11058044433594 24.030405044555664 88.17251586914062 18.1358699798584 88.21707153320312 29.019229888916016 88.30951690673828 24.0 88.45091247558594 20.720237731933594 88.58067321777344 42.625 88.9936752319336 31.36742401123047 89.02336120605469 518.4800415039062 89.06974029541016 90.92921447753906 90.0549087524414 17908.1484375 90.11615753173828 28.337963104248047 90.13822937011719 40.51250076293945 90.19251251220703 35.004032135009766 90.52687072753906 26.454545974731445 90.60855865478516 47.73975372314453 90.62212371826172 21.720237731933594 90.67463684082031 25.387821197509766 90.81687927246094 19.266666412353516 91.05622100830078 275.34027099609375 92.04924774169922 3700.732666015625 92.08544158935547 46.0476188659668 93.03205871582031 517.2815551757812 93.056884765625 786.890869140625 93.06817626953125 563.2487182617188 93.28630828857422 125.69615173339844 93.51051330566406 17.011363983154297 93.86577606201172 59.469444274902344 94.0279312133789 155.74557495117188 94.0649642944336 11454.9091796875 94.10343170166016 162.5601806640625 94.27417755126953 27.08445930480957 94.39891815185547 16.183822631835938 94.51145935058594 35.003570556640625 94.53746795654297 19.844999313354492 94.57730102539062 32.18382263183594 94.79080200195312 33.19758224487305 95.04889678955078 2602.23876953125 95.06282806396484 2813.219482421875 96.04421997070312 58834.01171875 96.07992553710938 5787.001953125 96.22069549560547 71.66666412353516 96.2441635131836 77.01388549804688 96.27745819091797 32.048912048339844 96.29422760009766 25.02777862548828 96.30457305908203 25.367647171020508 96.32535552978516 38.32661437988281 96.36843872070312 21.471153259277344 96.42094421386719 44.46154022216797 96.4443359375 14.148809432983398 96.46984100341797 53.285377502441406 96.48562622070312 16.240385055541992 96.51937866210938 21.089284896850586 96.5618896484375 64.1212158203125 96.60468292236328 39.69827651977539 97.00460815429688 32.51250076293945 97.02803802490234 7291.04638671875 97.04847717285156 1655.8692626953125 97.0757064819336 2735.826416015625 97.15493774414062 33.00463104248047 97.24073028564453 30.68145179748535 97.29876708984375 32.431121826171875 97.4144515991211 32.44444274902344 97.73108673095703 15.796052932739258 97.97649383544922 88.5062484741211 98.02310943603516 351.02008056640625 98.059814453125 37486.97265625 98.09735870361328 1120.0025634765625 98.20523834228516 55.29999923706055 98.28469848632812 93.84615325927734 98.3231430053711 68.01786041259766 98.35659790039062 42.03333282470703 98.38761138916016 54.45564651489258 98.40482330322266 25.11842155456543 98.42581176757812 26.901315689086914 98.443115234375 34.404998779296875 98.47372436523438 43.0 98.51508331298828 30.032142639160156 98.59849548339844 18.0 98.61250305175781 127.16666412353516 98.63377380371094 41.40833282470703 98.88552856445312 16.53125 98.92256164550781 26.455644607543945 99.02583312988281 86.0 99.0455322265625 3525.55615234375 99.08861541748047 186.93942260742188 99.4791030883789 19.225000381469727 99.8087158203125 36.011905670166016 100.03907012939453 3426.8759765625 100.07520294189453 4729.8466796875 100.11558532714844 65.46944427490234 100.33365631103516 35.578948974609375 101.02299499511719 2171.6611328125 101.07072448730469 859.3720703125 101.24703216552734 193.3418731689453 101.27710723876953 35.165321350097656 101.32698059082031 65.44007110595703 102.05474853515625 31726.103515625 102.1614761352539 80.02045440673828 102.20915222167969 29.30681800842285 102.2339096069336 34.22222137451172 102.2964859008789 58.47368240356445 102.34828186035156 34.16345977783203 102.82459259033203 26.125 103.03814697265625 247.16175842285156 103.06055450439453 1365.6279296875 103.191162109375 36.70833206176758 103.80574798583984 15.625 103.87661743164062 15.017857551574707 104.04952239990234 679.3688354492188 104.06968688964844 1156.7325439453125 104.19920349121094 15.796052932739258 104.67952728271484 46.54545593261719 105.03390502929688 79.3223648071289 106.06510162353516 2210.3017578125 106.10537719726562 28.66666603088379 106.65189361572266 17.1488094329834 106.72007751464844 67.03955841064453 107.04895782470703 1714.2833251953125 107.06133270263672 1420.748046875 107.97213745117188 55.90582275390625 108.04407501220703 6037.7080078125 108.080322265625 6701.8955078125 108.14855194091797 17.049999237060547 108.18437194824219 16.571428298950195 108.27536010742188 18.26630401611328 109.028076171875 10697.4013671875 109.04955291748047 1712.460205078125 109.075927734375 3035.671142578125 109.11564636230469 58.002193450927734 109.1805648803711 44.0 109.23855590820312 96.07691955566406 109.51109313964844 25.0 109.5291976928711 18.008333206176758 109.57299041748047 71.10041046142578 109.80844116210938 49.4879035949707 109.8713150024414 31.592105865478516 110.00621032714844 124.5950698852539 110.03292083740234 698.0325317382812 110.05984497070312 56377.609375 110.24415588378906 56.01785659790039 110.26631164550781 19.625 110.28986358642578 49.21542739868164 110.3212890625 82.03040313720703 110.3410415649414 43.10714340209961 110.39579772949219 40.061275482177734 110.443115234375 37.0065803527832 110.49539947509766 18.242647171020508 110.54878997802734 121.23213958740234 110.62114715576172 30.113636016845703 110.7463150024414 61.224998474121094 110.85946655273438 35.21120834350586 110.9620590209961 73.15277862548828 111.04389190673828 46598.90625 111.08993530273438 1753.30029296875 111.2475357055664 19.266666412353516 111.2769546508789 54.14814758300781 111.29054260253906 58.76041793823242 111.30693817138672 31.230770111083984 111.33179473876953 20.0 111.34318542480469 39.125 111.3713150024414 72.84375 111.42781829833984 44.88999938964844 111.45826721191406 82.92105102539062 111.500244140625 33.01250076293945 111.53462982177734 35.44499969482422 111.58071899414062 42.375 111.61409759521484 44.04960250854492 111.70601654052734 73.33333587646484 111.7426986694336 69.457275390625 111.83342742919922 28.785715103149414 111.8780746459961 27.035715103149414 112.04203796386719 2048.11669921875 112.07520294189453 7139.2353515625 112.14244842529297 39.489864349365234 112.22447967529297 43.560001373291016 112.24118041992188 115.00244903564453 112.42631530761719 25.112499237060547 112.79093933105469 58.0304069519043 113.02315521240234 323.471923828125 113.04788208007812 755.3050537109375 113.07070922851562 3947.8515625 113.21932983398438 39.96154022216797 113.7148208618164 34.11574172973633 114.05445861816406 21219.015625 114.2560806274414 123.06730651855469 114.27935791015625 71.84807586669922 114.29317474365234 28.02777862548828 114.33798217773438 17.657608032226562 114.46047973632812 23.149999618530273 114.57201385498047 22.816667556762695 114.72541046142578 24.57065200805664 114.78392028808594 15.027777671813965 115.03876495361328 706.0111083984375 115.06096649169922 536.22900390625 115.085693359375 341.00042724609375 115.5430679321289 23.78125 116.00407409667969 70.64006042480469 116.06999969482422 16604.81640625 116.11409759521484 231.5052032470703 116.18019104003906 94.89351654052734 116.23193359375 40.117645263671875 116.28058624267578 35.004310607910156 116.44107818603516 15.889705657958984 116.7453842163086 19.197580337524414 117.07079315185547 257.7809753417969 117.10961151123047 14.11111068725586 117.372802734375 15.004630088806152 117.51206970214844 60.595237731933594 117.89273071289062 57.57341384887695 118.04926300048828 2116.38818359375 118.06407165527344 2032.7923583984375 118.11863708496094 32.28571319580078 118.48900604248047 40.05482482910156 118.79113006591797 49.51524353027344 118.99604797363281 15.004310607910156 119.05878448486328 419.7147521972656 119.06844329833984 251.5 119.69405364990234 24.0 120.0439224243164 949.3486328125 120.08000946044922 2124.510498046875 120.12601470947266 29.68055534362793 120.27655029296875 83.00131225585938 120.30921936035156 47.969825744628906 120.3445816040039 28.16554069519043 121.02849578857422 380.08343505859375 121.05177307128906 2814.94287109375 121.0755615234375 2093.107421875 121.30711364746094 49.390625 121.75486755371094 29.77941131591797 121.85411071777344 35.469444274902344 122.02318572998047 172.4514923095703 122.05970001220703 21207.658203125 122.130126953125 91.02960205078125 122.17735290527344 48.492347717285156 122.31012725830078 34.08333206176758 122.34264373779297 45.923912048339844 122.405029296875 36.480262756347656 122.46021270751953 59.59558868408203 122.63336181640625 23.112499237060547 123.04388427734375 1901.5648193359375 123.06610870361328 3123.189208984375 123.09114074707031 2280.8115234375 123.22241973876953 33.21542739868164 123.87084197998047 21.1358699798584 124.03910827636719 5141.41845703125 124.07549285888672 10344.892578125 124.26112365722656 62.84807586669922 124.32344055175781 31.004032135009766 124.60624694824219 17.04166603088379 124.81085205078125 33.125 125.04639434814453 523.5697631835938 125.07086944580078 3297.284912109375 125.10710144042969 1140.4757080078125 125.16154479980469 39.64015197753906 125.7645492553711 34.003204345703125 125.99015045166016 68.13500213623047 126.05472564697266 71454.3671875 126.09016418457031 3971.137451171875 126.30723571777344 32.889705657958984 126.3254623413086 42.82692337036133 126.3401870727539 61.34375 126.38799285888672 72.05769348144531 126.42732238769531 74.30615997314453 126.49276733398438 18.40833282470703 126.5177993774414 53.51250076293945 126.6211166381836 39.68055725097656 126.64568328857422 27.0 126.66740417480469 29.1488094329834 126.70472717285156 53.63333511352539 126.72869110107422 41.67856979370117 126.80203247070312 34.0476188659668 126.89588165283203 26.32661247253418 127.00382995605469 19.68055534362793 127.03913879394531 2142.94921875 127.0591049194336 2194.286376953125 127.0853271484375 586.9650268554688 127.11602783203125 36.0 127.18557739257812 15.148809432983398 127.20929718017578 18.625 127.43666076660156 25.04166603088379 127.49900817871094 31.08445930480957 127.664306640625 52.53125 127.69905090332031 23.34722137451172 128.0409698486328 361.0033874511719 128.07029724121094 29273.337890625 128.16342163085938 86.13939666748047 128.19129943847656 58.69551467895508 128.2718505859375 25.125 128.28843688964844 27.375 128.3152313232422 58.28571319580078 128.32708740234375 102.71627044677734 128.35845947265625 54.32236862182617 128.3944854736328 22.204545974731445 128.41751098632812 15.675000190734863 128.44659423828125 14.083333015441895 128.51068115234375 24.375 128.63839721679688 43.960105895996094 128.7451934814453 44.84375 128.83164978027344 40.73724365234375 128.93812561035156 14.399999618530273 129.07423400878906 639.8936157226562 129.1827850341797 20.52083396911621 129.42364501953125 18.024999618530273 129.53451538085938 38.06578826904297 130.05349731445312 422.55572509765625 130.08456420898438 300.0078125 130.49203491210938 225.98780822753906 131.03517150878906 277.4696350097656 131.07957458496094 70.28408813476562 131.79649353027344 43.022727966308594 132.0438232421875 3570.948486328125 132.07821655273438 274.272216796875 132.11410522460938 40.08333206176758 132.46246337890625 29.81818199157715 133.0496368408203 1002.5592651367188 133.07582092285156 1405.9453125 133.29881286621094 15.77884578704834 134.06060791015625 2282.1279296875 134.0846405029297 1391.0992431640625 135.06573486328125 1039.3819580078125 135.09120178222656 14499.265625 135.14459228515625 130.84500122070312 135.16664123535156 44.09423065185547 135.32009887695312 36.75 135.40493774414062 22.0049991607666 135.41302490234375 24.01785659790039 135.60391235351562 20.454545974731445 135.6234893798828 50.7578125 136.040283203125 39.150001525878906 136.07530212402344 18611.56640625 136.1494598388672 88.07621765136719 136.1816864013672 84.04960632324219 136.2142791748047 42.02743911743164 136.25164794921875 55.595340728759766 136.2715606689453 106.81071472167969 136.4210662841797 27.173913955688477 136.5143585205078 30.473684310913086 136.5686492919922 14.920454978942871 136.75814819335938 24.440217971801758 136.8797607421875 23.045000076293945 137.03350830078125 133.9729766845703 137.0742950439453 1872.6346435546875 137.11033630371094 268.7232666015625 137.225830078125 34.003204345703125 137.27410888671875 39.09000015258789 137.4351348876953 26.77777862548828 138.00723266601562 128.313720703125 138.0544891357422 8426.314453125 138.09063720703125 1419.7100830078125 138.15318298339844 23.889705657958984 138.21554565429688 41.125 138.26072692871094 42.84011459350586 138.60842895507812 27.77822494506836 139.03787231445312 266.3739013671875 139.0634002685547 857.0072631835938 139.085693359375 3721.982666015625 139.36170959472656 17.111841201782227 139.38958740234375 99.03511047363281 139.68247985839844 16.53125 139.73426818847656 28.016666412353516 140.03457641601562 269.0321350097656 140.07017517089844 15954.1748046875 140.22763061523438 15.050000190734863 140.2601776123047 16.038793563842773 140.30130004882812 25.0 140.37139892578125 14.399999618530273 140.4034423828125 25.44444465637207 140.4255828857422 61.702701568603516 140.70468139648438 15.0 140.74176025390625 15.363636016845703 140.77883911132812 24.259614944458008 141.07266235351562 1091.2996826171875 141.10223388671875 161.29808044433594 141.25296020507812 45.14244079589844 141.36634826660156 23.901315689086914 142.04934692382812 11227.6796875 142.08544921875 1841.6824951171875 142.13809204101562 65.42241668701172 142.15420532226562 23.446428298950195 142.200439453125 130.52024841308594 142.33639526367188 23.04166603088379 142.38194274902344 65.0999984741211 142.46807861328125 36.94230651855469 142.7295379638672 20.59558868408203 142.9917449951172 30.964284896850586 143.0524444580078 656.60205078125 143.0826416015625 337.2933044433594 143.11717224121094 156.2734832763672 143.3782958984375 22.96982765197754 144.06532287597656 45492.07421875 144.27557373046875 32.78716278076172 144.3037872314453 48.33333206176758 144.32875061035156 70.29066467285156 144.36129760742188 19.011363983154297 144.41983032226562 23.844999313354492 144.4613800048828 29.976350784301758 144.4812774658203 99.9453125 144.51564025878906 27.68145179748535 144.57830810546875 23.009614944458008 144.60914611816406 37.28571319580078 144.6871337890625 47.2068977355957 144.774658203125 67.29753875732422 144.85885620117188 31.117647171020508 145.06948852539062 1953.5147705078125 145.09689331054688 17855.015625 145.17262268066406 35.23214340209961 145.21763610839844 65.1025619506836 145.259521484375 16.03125 145.31817626953125 21.0592098236084 145.3766326904297 62.469154357910156 145.41429138183594 27.024999618530273 145.5065460205078 28.112499237060547 145.562255859375 130.49717712402344 145.61355590820312 40.52083206176758 145.7078094482422 46.24137878417969 145.9173126220703 25.41666603088379 146.05972290039062 2122.9169921875 146.08074951171875 7538.5 146.13909912109375 102.29656982421875 146.17152404785156 54.7613639831543 146.21981811523438 29.5625 146.4590301513672 26.765625 146.72471618652344 42.22256088256836 146.77967834472656 21.25 146.80795288085938 15.363636016845703 146.9136199951172 34.094696044921875 147.04217529296875 147.88902282714844 147.0907440185547 993.3909912109375 147.30368041992188 23.375 147.65191650390625 38.841217041015625 148.03912353515625 545.9191284179688 148.07533264160156 1850.5208740234375 148.13204956054688 25.0 148.37515258789062 19.25 148.4454803466797 65.98863983154297 149.04776000976562 424.7696838378906 149.07049560546875 1412.37841796875 149.10784912109375 277.7304382324219 149.41539001464844 17.019229888916016 150.0543975830078 14726.84375 150.2440948486328 28.024999618530273 150.29957580566406 14.008333206176758 150.3506622314453 23.5625 150.49972534179688 22.5625 150.63238525390625 91.08018493652344 150.7298583984375 26.045000076293945 151.03961181640625 1460.867919921875 151.0855255126953 4415.54541015625 151.13377380371094 51.125 151.22906494140625 28.149391174316406 151.36573791503906 40.26041793823242 151.446044921875 17.375 151.46188354492188 16.5 152.07012939453125 5265.25 152.0941619873047 11025.794921875 152.17440795898438 15.041666984558105 152.20425415039062 20.52155113220215 152.2384796142578 30.8810977935791 152.33702087402344 19.363636016845703 152.36631774902344 21.899999618530273 152.4914093017578 25.024999618530273 152.5472869873047 64.04808044433594 152.68862915039062 23.480770111083984 152.76597595214844 40.83333206176758 153.05369567871094 255.0370330810547 153.07765197753906 730.0616455078125 153.1018524169922 9108.2666015625 153.15916442871094 74.68597412109375 153.2384490966797 16.00657844543457 153.36248779296875 46.01250076293945 153.46206665039062 29.761905670166016 153.8766326904297 14.135869979858398 153.91412353515625 21.72844886779785 154.04881286621094 166.16461181640625 154.08578491210938 6350.46044921875 154.16961669921875 121.80899810791016 154.20401000976562 41.20000076293945 154.2287139892578 20.004032135009766 154.25051879882812 77.8223648071289 154.47059631347656 18.91847801208496 154.9540557861328 29.089284896850586 155.08505249023438 550.173095703125 156.0650177001953 4227.6787109375 156.74441528320312 20.071428298950195 157.07574462890625 55.65406799316406 157.09739685058594 2640.561767578125 157.48883056640625 21.875 158.0425567626953 120.05487823486328 158.0797882080078 386.6666564941406 158.10006713867188 182.92628479003906 158.85006713867188 46.47058868408203 159.0908966064453 459.8550720214844 159.1445770263672 21.100000381469727 159.39442443847656 27.273649215698242 160.0768585205078 1276.8934326171875 160.1240234375 22.011363983154297 160.84410095214844 18.20833396911621 161.07168579101562 492.3631896972656 161.4395294189453 25.02083396911621 162.03111267089844 98.08695983886719 162.05438232421875 354.9779357910156 162.07582092285156 37916.78515625 162.26187133789062 15.166666984558105 162.35498046875 62.677818298339844 162.37213134765625 50.1875 162.4204864501953 17.26630401611328 162.5504913330078 29.571428298950195 162.66397094726562 41.14244079589844 162.7924346923828 41.02743911743164 162.80728149414062 36.16071319580078 162.91744995117188 19.339284896850586 163.00140380859375 55.33333206176758 163.0862274169922 11074.5625 163.10739135742188 40245.125 163.3245391845703 19.140625 163.33782958984375 50.056819915771484 163.38929748535156 61.003570556640625 163.4129180908203 75.3852767944336 163.44894409179688 43.96154022216797 163.4750213623047 86.4000015258789 163.5334014892578 26.64285659790039 163.58203125 19.00657844543457 163.6046905517578 52.28571319580078 163.63088989257812 24.04166603088379 163.66561889648438 83.58333587646484 163.68861389160156 28.842105865478516 163.73780822753906 16.720237731933594 163.78500366210938 43.125 163.8664093017578 27.570945739746094 164.07017517089844 8205.95703125 164.1091766357422 1428.2178955078125 164.25372314453125 19.91847801208496 164.37353515625 52.13869857788086 164.4180908203125 68.00192260742188 164.45413208007812 85.52631378173828 164.50267028808594 17.204545974731445 164.55166625976562 29.023935317993164 164.6184844970703 25.0 165.07131958007812 394.07623291015625 165.10101318359375 678.1936645507812 165.49990844726562 55.640625 166.0843963623047 1644.6116943359375 166.13650512695312 19.20833396911621 166.45982360839844 48.793479919433594 166.68186950683594 47.45564651489258 167.0511016845703 29.0625 167.08021545410156 635.27978515625 167.71157836914062 40.209999084472656 168.0650177001953 13098.8896484375 168.17259216308594 19.0 168.2624053955078 21.024999618530273 168.28761291503906 23.07621955871582 168.35067749023438 51.68055725097656 168.76620483398438 27.77822494506836 169.04881286621094 101.81500244140625 169.06935119628906 362.6611633300781 169.09719848632812 2765.07080078125 169.16001892089844 84.63043212890625 169.9992218017578 31.0625 170.08164978027344 2324.82861328125 170.13076782226562 37.21120834350586 170.17373657226562 32.272727966308594 170.2489471435547 58.60445022583008 171.08920288085938 435.4405517578125 171.11073303222656 496.03472900390625 171.31643676757812 30.816667556762695 171.72914123535156 31.25 172.01913452148438 158.65306091308594 172.05714416503906 169.2820587158203 172.07440185546875 725.0527954101562 172.0962371826172 5790.748046875 172.16741943359375 24.01785659790039 172.25228881835938 22.094696044921875 172.31610107421875 25.140625 172.33433532714844 19.02083396911621 172.40774536132812 55.20000076293945 172.4862518310547 27.25 172.63067626953125 28.014705657958984 172.95941162109375 54.00833511352539 172.9813690185547 80.83333587646484 173.09156799316406 4889.08349609375 173.1525421142578 64.24264526367188 173.3638916015625 16.284090042114258 173.375244140625 31.15705108642578 173.3968963623047 16.125 173.45298767089844 15.363636016845703 173.92477416992188 33.79999923706055 174.05612182617188 208.0919189453125 174.09095764160156 1037.7088623046875 174.14491271972656 50.002777099609375 174.2542266845703 35.002357482910156 175.0270538330078 54.602272033691406 175.08810424804688 321.806640625 175.10751342773438 3282.130615234375 175.17945861816406 23.53125 175.54840087890625 16.08333396911621 175.62289428710938 38.00925827026367 176.07080078125 317.4034729003906 176.09251403808594 477.318603515625 176.11007690429688 398.00048828125 176.22164916992188 25.32661247253418 177.05328369140625 17.674999237060547 177.10108947753906 452.2922668457031 178.04849243164062 322.5860290527344 178.0863037109375 381.7008056640625 178.19705200195312 25.204999923706055 178.5481414794922 16.14285659790039 179.00990295410156 104.625 179.08143615722656 573.5785522460938 179.10134887695312 166.6568145751953 180.0640411376953 621.000244140625 180.0865478515625 2135.757568359375 180.16629028320312 15.059210777282715 180.53952026367188 24.100000381469727 181.0970458984375 15267.9296875 181.1494903564453 232.24038696289062 181.37081909179688 30.136110305786133 181.4406280517578 22.94230842590332 181.92306518554688 47.0 182.01295471191406 55.002777099609375 182.0526885986328 133.28445434570312 182.0806427001953 8860.5751953125 182.2604522705078 14.0 182.42291259765625 49.125 182.4875030517578 20.920454025268555 183.08340454101562 761.4164428710938 183.11207580566406 2518.638916015625 183.16993713378906 28.69444465637207 183.537841796875 48.37061309814453 183.71426391601562 22.875 183.88587951660156 25.41666603088379 184.06150817871094 377.2155456542969 184.09666442871094 2146.173095703125 184.15811157226562 34.720237731933594 184.9470977783203 19.003570556640625 185.0916290283203 1064.598388671875 185.1284942626953 95.56104278564453 185.26412963867188 55.31428527832031 185.62425231933594 36.125 186.07627868652344 547.0072631835938 186.09976196289062 1634.789306640625 186.23760986328125 40.36742401123047 186.4934539794922 25.796052932739258 186.83139038085938 20.149999618530273 186.92633056640625 22.030405044555664 187.08680725097656 116.125 187.1071319580078 3806.7236328125 187.16026306152344 58.00893020629883 187.27781677246094 17.04166603088379 187.56492614746094 18.77777862548828 187.58370971679688 25.204999923706055 188.0701446533203 653.8754272460938 188.09072875976562 234.2987060546875 188.33665466308594 17.875 188.43911743164062 19.266666412353516 188.5897216796875 33.92045593261719 188.9268341064453 46.2400016784668 189.05364990234375 128.69491577148438 189.077392578125 186.38861083984375 189.1028289794922 834.746337890625 189.11770629882812 369.6365661621094 190.0493621826172 95.50416564941406 190.07066345214844 380.48553466796875 190.08460998535156 811.7468872070312 190.134765625 328.4072570800781 190.56150817871094 17.107759475708008 191.08407592773438 230.3462371826172 191.11578369140625 219.00430297851562 192.0659637451172 1290.333740234375 192.10171508789062 491.33953857421875 192.1416015625 32.31578826904297 192.1673583984375 14.322368621826172 193.0975799560547 435.24481201171875 193.16017150878906 14.446428298950195 193.26019287109375 39.0 193.75286865234375 29.023935317993164 194.0807647705078 827.62060546875 194.19876098632812 46.88915252685547 194.24136352539062 15.1875 194.28976440429688 91.00143432617188 194.55137634277344 49.084014892578125 194.7350616455078 33.72058868408203 195.11192321777344 846.0350952148438 195.30828857421875 21.33333396911621 196.07601928710938 125.68014526367188 196.1001434326172 314.0037841796875 196.945556640625 109.8780517578125 197.08969116210938 212.00057983398438 197.1144256591797 200.47125244140625 197.67791748046875 76.05769348144531 197.70773315429688 43.761905670166016 198.05397033691406 48.04999923706055 198.07481384277344 410.86163330078125 198.09902954101562 778.1154174804688 198.1655731201172 17.889705657958984 198.22764587402344 20.75 198.51895141601562 14.69444465637207 198.81936645507812 32.266666412353516 198.90670776367188 29.225000381469727 199.1075897216797 70628.828125 199.40577697753906 41.80513000488281 199.42750549316406 83.5844955444336 199.44451904296875 49.01250076293945 199.4797821044922 42.900001525878906 199.53050231933594 53.14881134033203 199.5675506591797 76.49588012695312 199.58319091796875 35.32692337036133 199.62130737304688 29.38888931274414 199.68479919433594 31.58333396911621 199.70376586914062 22.360294342041016 199.74859619140625 29.321807861328125 199.80398559570312 27.160715103149414 200.069580078125 327.39361572265625 200.09307861328125 12084.984375 200.22991943359375 40.25961685180664 200.25453186035156 37.235294342041016 200.29209899902344 50.0 200.33924865722656 104.63636016845703 200.3851776123047 59.578948974609375 200.41168212890625 19.0625 200.48143005371094 24.44499969482422 200.50982666015625 38.43214416503906 200.6429901123047 39.5 200.83908081054688 146.82843017578125 200.89373779296875 29.066490173339844 200.9478759765625 32.21542739868164 201.051025390625 16.04166603088379 201.09706115722656 1358.68408203125 201.1226043701172 9736.107421875 201.22955322265625 56.125 201.2888946533203 42.48214340209961 201.33670043945312 16.20833396911621 201.46505737304688 20.015625 201.5053253173828 27.77822494506836 201.61447143554688 18.34722137451172 201.74984741210938 26.796052932739258 201.78939819335938 57.17287063598633 202.08726501464844 265.4883728027344 202.1270294189453 786.1626586914062 202.3179931640625 36.11111068725586 202.60047912597656 22.009614944458008 203.0795440673828 406.95269775390625 203.11996459960938 660.1260986328125 203.5415496826172 19.0 203.6321258544922 22.25 204.06350708007812 162.46241760253906 204.1306915283203 168.39596557617188 204.94485473632812 17.11111068725586 205.06634521484375 116.28099822998047 205.09564208984375 354.2384338378906 206.08164978027344 636.2660522460938 206.16513061523438 37.34722137451172 207.11199951171875 906.2996215820312 208.1029510498047 213.34042358398438 209.09178161621094 61.04807662963867 209.12159729003906 335.23468017578125 209.1670684814453 21.007352828979492 210.0760498046875 275.8164978027344 210.09169006347656 188.62025451660156 210.22805786132812 56.21302795410156 211.08409118652344 76.51612854003906 211.10726928710938 4306.34912109375 211.16329956054688 44.019229888916016 211.18572998046875 44.10041046142578 211.68309020996094 19.5 212.0919647216797 781.792724609375 212.11517333984375 511.0014953613281 212.16078186035156 18.0 212.97113037109375 36.53779220581055 213.12376403808594 1934.7677001953125 213.20399475097656 24.160715103149414 213.82684326171875 35.890625 214.0694580078125 171.7048797607422 214.11700439453125 491.4079284667969 215.1028289794922 809.000732421875 215.1339874267578 151.16004943847656 215.55328369140625 52.0844612121582 216.06414794921875 216.08265686035156 216.0856170654297 253.21185302734375 216.11241149902344 583.975830078125 216.13296508789062 844.4860229492188 216.18556213378906 35.136112213134766 216.3957061767578 41.30769348144531 216.71942138671875 22.375 216.77391052246094 29.94230842590332 216.91116333007812 37.2717399597168 216.93479919433594 55.69551467895508 217.06471252441406 327.3699645996094 217.11830139160156 136124.859375 217.54495239257812 99.25930786132812 217.57345581054688 109.59492492675781 217.60311889648438 64.68160247802734 217.64834594726562 76.0 217.6728057861328 81.8454818725586 217.6947021484375 191.74569702148438 217.7621307373047 66.66666412353516 217.8272705078125 152.22857666015625 217.84799194335938 88.48020935058594 217.86398315429688 60.346153259277344 217.9044647216797 40.17763137817383 217.94793701171875 76.7368392944336 218.009521484375 161.13629150390625 218.0381622314453 56.76483154296875 218.08218383789062 413.0392761230469 218.12109375 5467.67626953125 218.18324279785156 104.0 218.2504119873047 45.6371955871582 218.31985473632812 20.25 218.3352508544922 17.016666412353516 218.3814239501953 22.045000076293945 218.4224853515625 20.2450008392334 218.4654541015625 15.408333778381348 218.54055786132812 17.29166603088379 218.56622314453125 42.173912048339844 218.75547790527344 27.657608032226562 219.11187744140625 1130.390625 219.15725708007812 60.08035659790039 219.37290954589844 50.0239372253418 219.40382385253906 22.600000381469727 220.11041259765625 70.2249984741211 221.08834838867188 91.36029052734375 221.1261749267578 479.2779235839844 221.1676788330078 14.125 222.0760498046875 226.49314880371094 222.127685546875 194.5290069580078 223.10581970214844 613.3903198242188 224.06935119628906 198.08168029785156 224.08895874023438 275.6689758300781 224.11434936523438 1313.873779296875 224.1561737060547 37.016666412353516 224.28091430664062 27.115739822387695 224.38681030273438 21.57065200805664 225.1228790283203 3410.11669921875 225.18939208984375 50.064517974853516 225.33432006835938 22.674999237060547 225.83938598632812 20.113636016845703 226.0655975341797 41.5 226.11801147460938 301.4744873046875 227.10263061523438 1594.3333740234375 227.1368408203125 638.79248046875 227.2022247314453 14.102272987365723 228.0858917236328 457.7513122558594 228.13465881347656 1299.9788818359375 228.2077178955078 19.20833396911621 228.3463592529297 15.125 229.0939178466797 382.4360656738281 229.11790466308594 3178.78076171875 229.17987060546875 56.04166793823242 229.2958221435547 19.0 229.67974853515625 53.056819915771484 230.1494903564453 984.6658935546875 231.0343017578125 29.16554069519043 231.08709716796875 81.0 231.1089324951172 225.52357482910156 231.13343811035156 411.3104553222656 231.58389282226562 18.91847801208496 232.11756896972656 81.02815246582031 233.01783752441406 58.01679229736328 233.09231567382812 143.06446838378906 234.4193115234375 45.00961685180664 234.6453857421875 27.852272033691406 234.66925048828125 20.0 235.1062469482422 806.0072021484375 235.20687866210938 18.008333206176758 236.08935546875 456.080810546875 236.11099243164062 308.6123962402344 236.133544921875 121.9798355102539 237.10128784179688 185.03082275390625 237.12245178222656 957.7110595703125 237.1920928955078 26.15705108642578 238.1044158935547 167.85256958007812 238.12474060058594 210.0292205810547 238.56887817382812 28.33333396911621 239.10081481933594 336.4800109863281 239.13897705078125 461.280517578125 240.09063720703125 62.26612854003906 240.1097412109375 58.384090423583984 240.13380432128906 600.2401733398438 240.1802520751953 16.005952835083008 240.96121215820312 39.07267379760742 241.0956573486328 296.3215026855469 241.11737060546875 2116.5712890625 241.18052673339844 30.004310607910156 242.0788116455078 71.67567443847656 242.12420654296875 281.472412109375 242.14952087402344 246.39657592773438 242.406494140625 92.72335815429688 243.1116943359375 161.078125 243.13267517089844 1415.925537109375 243.4635467529297 43.59868240356445 243.507080078125 21.56818199157715 243.75057983398438 65.0158462524414 243.8362274169922 36.04166793823242 244.12832641601562 228.00079345703125 245.10903930664062 62.467464447021484 245.21116638183594 34.2976188659668 245.3471221923828 23.076923370361328 246.3489990234375 64.0078125 247.10791015625 105.53191375732422 248.10765075683594 31.68055534362793 249.12278747558594 917.310546875 249.4556427001953 43.11249923706055 250.1074676513672 248.3950958251953 251.10223388671875 479.9649658203125 251.13632202148438 63.40909194946289 251.74266052246094 26.04166603088379 252.10487365722656 33.02083206176758 252.13284301757812 543.5999755859375 252.80007934570312 36.01041793823242 252.9049835205078 19.01388931274414 253.0590362548828 96.59274291992188 253.1180877685547 7110.20556640625 253.18167114257812 55.01785659790039 253.20327758789062 47.24007797241211 253.29615783691406 23.005952835083008 253.34349060058594 15.408333778381348 253.54043579101562 26.149999618530273 253.90037536621094 27.36742401123047 254.1006317138672 980.8338012695312 254.12469482421875 3217.0703125 254.19485473632812 90.4391860961914 254.22640991210938 71.24281311035156 254.3419952392578 16.0625 254.37033081054688 70.03225708007812 254.6528778076172 30.022727966308594 254.84603881835938 37.36742401123047 255.1316375732422 1815.21435546875 255.3794708251953 28.799999237060547 255.53485107421875 32.003047943115234 256.10626220703125 203.0833282470703 257.11358642578125 540.7338256835938 257.1590576171875 204.27032470703125 258.12091064453125 82.0625 258.25048828125 18.01388931274414 259.1078796386719 519.3384399414062 259.126220703125 556.8203125 260.10479736328125 278.7889099121094 260.1327819824219 313.4975280761719 261.0486755371094 20.69230842590332 262.154541015625 194.14041137695312 264.1105651855469 203.84666442871094 264.133056640625 112.4749984741211 264.770751953125 115.47115325927734 265.1150817871094 211.05413818359375 265.1448059082031 41.845001220703125 266.1175842285156 182.125 266.1501159667969 495.1564025878906 266.6778259277344 31.206632614135742 267.099609375 72.6864013671875 267.13397216796875 997.6179809570312 267.3880310058594 16.0 268.14471435546875 75.80000305175781 268.1649169921875 111.74404907226562 269.1141052246094 243.49122619628906 269.1325378417969 235.0234375 270.09649658203125 231.72979736328125 270.1442565917969 845.1570434570312 270.28466796875 50.15705108642578 270.46673583984375 27.625 271.1015930175781 194.3392791748047 271.1282958984375 11756.1533203125 271.3594665527344 17.004032135009766 271.447998046875 97.67781829833984 271.78289794921875 20.005434036254883 272.08697509765625 83.08018493652344 272.1335144042969 494.5614318847656 272.1559753417969 291.8205261230469 272.6136169433594 50.272727966308594 272.7913818359375 18.211206436157227 272.843017578125 32.4900016784668 273.1224060058594 116.6759262084961 273.1446533203125 852.9602661132812 273.35943603515625 22.30769157409668 275.12017822265625 92.41666412353516 275.1720886230469 36.0 277.11773681640625 2088.95947265625 277.17919921875 32.003570556640625 278.6319274902344 24.0592098236084 279.1578674316406 228.2857208251953 279.3571472167969 15.363636016845703 280.1271667480469 299.2235107421875 280.1653137207031 901.0579223632812 280.2821960449219 21.022727966308594 281.11114501953125 131.46939086914062 281.1375427246094 275.934326171875 281.1683654785156 168.74093627929688 282.1446228027344 311.0066223144531 283.12933349609375 604.8480834960938 283.17724609375 99.11363983154297 283.4638671875 27.18181800842285 284.1318359375 95.36565399169922 284.1603088378906 447.3273010253906 285.16705322265625 265.4694519042969 285.47271728515625 15.125 286.1443786621094 128.22265625 286.19482421875 18.024999618530273 286.35888671875 27.16532325744629 287.1229248046875 452.3155212402344 287.8070373535156 40.644737243652344 288.1537170410156 376.85125732421875 288.673095703125 88.05357360839844 289.13909912109375 4868.41796875 289.20257568359375 57.64015197753906 289.50018310546875 44.3125 289.7515869140625 40.02083206176758 290.1446228027344 642.2564086914062 290.32904052734375 50.560001373291016 290.6650085449219 36.25961685180664 291.13287353515625 322.91754150390625 292.16473388671875 73.01210021972656 292.3359680175781 33.782405853271484 292.560791015625 26.339284896850586 292.7823181152344 19.004310607910156 293.1340026855469 107.3315200805664 293.7099609375 36.26041793823242 294.1448059082031 744.1893920898438 294.3829345703125 14.44444465637207 294.4721984863281 28.15705108642578 294.8417663574219 28.799999237060547 294.9371643066406 18.090909957885742 295.129638671875 1763.199951171875 295.19366455078125 32.0304069519043 296.1310729980469 70.0 297.1419677734375 131.00735473632812 298.1439208984375 226.19564819335938 298.1678161621094 162.39999389648438 300.1485595703125 128.1768798828125 302.140625 166.6866455078125 302.6778564453125 88.49038696289062 303.15771484375 17.024999618530273 303.19415283203125 35.367645263671875 305.1319885253906 67.07205963134766 307.14794921875 79.53260803222656 307.17486572265625 343.51055908203125 307.8188781738281 28.799999237060547 307.84942626953125 44.16008758544922 308.1233825683594 53.025001525878906 308.1581726074219 1584.003173828125 308.2048645019531 70.55681610107422 308.868408203125 71.53917694091797 309.1662902832031 288.4031066894531 309.7776184082031 46.00893020629883 310.1985168457031 39.19117736816406 312.1546630859375 774.5803833007812 312.2314147949219 17.89285659790039 312.9388122558594 33.94117736816406 313.139892578125 5105.44775390625 313.2310791015625 33.90131759643555 314.1395568847656 547.4434204101562 314.21221923828125 15.086538314819336 315.155029296875 182.07080078125 315.20208740234375 221.23361206054688 316.1788635253906 30.15705108642578 316.3331298828125 44.0025520324707 318.11431884765625 36.0 318.1659851074219 102.8890151977539 318.22198486328125 16.53125 323.9065246582031 22.2450008392334 324.15728759765625 79.00926208496094 324.71295166015625 19.657608032226562 325.190185546875 208.6409149169922 326.1716003417969 526.64208984375 326.9197692871094 14.090909004211426 327.15185546875 27.22222137451172 327.71337890625 14.333333015441895 327.9374084472656 30.05555534362793 328.5438232421875 15.68055534362793 330.1167907714844 19.076923370361328 330.1674499511719 590.2673950195312 330.2177429199219 21.053571701049805 333.1901550292969 18.015625 342.1636047363281 103.43289184570312 342.50213623046875 40.08333206176758 343.1487121582031 176.2558135986328 343.19000244140625 19.225000381469727 344.1813659667969 249.2362518310547 344.61358642578125 30.011363983154297 345.17779541015625 245.79629516601562 354.1830749511719 40.55555725097656 356.14569091796875 115.84587097167969 357.3254089355469 23.55769157409668 363.8603820800781 156.79605102539062 367.9703674316406 21.390625 377.24029541015625 18.053571701049805 380.1297607421875 16.68055534362793 381.1495361328125 34.003204345703125 381.5105285644531 75.76923370361328 386.3936462402344 26.094696044921875 388.7315979003906 65.00595092773438 391.7298278808594 23.337963104248047 393.2424621582031 46.0229606628418 394.6460266113281 24.720237731933594 397.1372375488281 42.896278381347656 404.0230712890625 40.23147964477539 407.2459716796875 43.71428680419922 407.85723876953125 18.75 416.2233581542969 20.844999313354492 416.72064208984375 67.20714569091797 419.76629638671875 22.02083396911621 425.0690002441406 23.049999237060547 427.2619934082031 32.135868072509766 442.47430419921875 30.532894134521484 442.9360046386719 52.59221267700195 445.1150207519531 58.69444274902344 445.519775390625 33.028846740722656 453.796142578125 15.004310607910156 457.5468444824219 41.136112213134766 462.24639892578125 133.39657592773438 464.5243225097656 35.29166793823242 484.0803527832031 36.44643020629883 491.929931640625 18.91847801208496 501.7582092285156 16.399999618530273 502.5520324707031 33.84375 507.7658996582031 20.657608032226562 508.2350769042969 24.003787994384766 513.15283203125 45.818180084228516 514.7780151367188 126.58064270019531 519.1905517578125 14.0 522.695068359375 54.625 523.734130859375 18.036291122436523 524.5693359375 20.0 526.5750122070312 57.00581359863281 528.8085327148438 79.09121704101562 529.4395141601562 67.00131225585938 532.7208862304688 33.88888931274414 545.4527587890625 21.57065200805664 560.6151123046875 29.5625 580.0703125 80.03048706054688 583.403076171875 43.960105895996094 584.0989379882812 20.160715103149414 596.7222900390625 23.337963104248047 605.2352905273438 59.04960250854492 606.595947265625 25.204999923706055 617.4363403320312 59.11680221557617 623.6503295898438 40.280174255371094 626.2577514648438 34.102272033691406 627.46630859375 18.225000381469727 638.4464721679688 52.16071319580078 642.4108276367188 18.149999618530273 643.69091796875 28.840909957885742 643.818603515625 46.721153259277344 671.979248046875 18.674999237060547 672.7105102539062 22.107759475708008 675.5956420898438 19.1488094329834 686.21728515625 137.26136779785156 688.7973022460938 47.400001525878906 697.7308349609375 22.68145179748535 700.4420776367188 23.05555534362793 704.751708984375 45.77806091308594 708.6727905273438 16.125 713.4854736328125 22.571428298950195 713.7429809570312 48.969261169433594 716.1710815429688 54.121212005615234 720.0778198242188 31.04166603088379 723.6340942382812 14.5328950881958 725.887451171875 32.125 737.2135620117188 25.0 748.3904418945312 23.02083396911621 760.6852416992188 36.408782958984375 763.1199951171875 47.04960250854492 766.9585571289062 33.0 768.5817260742188 27.449073791503906 774.3942260742188 29.032142639160156 777.23779296875 23.030405044555664 786.6858520507812 23.15705108642578 786.7929077148438 36.24038314819336 787.83544921875 25.107759475708008 792.2959594726562 22.005434036254883 801.1664428710938 39.38461685180664 818.4093017578125 26.0 829.9833374023438 23.765625 843.1503295898438 19.560184478759766 865.7142944335938 30.765625 873.9205322265625 51.0 878.3880004882812 27.02083396911621 879.9456176757812 78.88904571533203 898.2901611328125 25.11842155456543 903.1778564453125 19.1488094329834 904.8045654296875 17.78125 907.5336303710938 25.25 909.7896118164062 21.024999618530273 913.760009765625 23.14285659790039 934.3243408203125 36.841217041015625 951.595458984375 31.100608825683594 953.6218872070312 49.08088302612305 962.3373413085938 37.209999084472656 964.7733154296875 30.072673797607422 965.3073120117188 24.125 983.8169555664062 50.60166549682617 989.554443359375 24.024999618530273 995.481201171875 37.04166793823242 1004.5209350585938 41.04999923706055 1018.4913330078125 26.0 1024.0537109375 22.6875 1029.84716796875 40.125 1033.9530029296875 32.97635269165039 1038.97314453125 48.384090423583984 1040.2451171875 15.666666984558105 1057.7606201171875 32.68055725097656 1073.9488525390625 28.115739822387695 1123.31201171875 29.575000762939453 1123.5662841796875 21.844999313354492 1129.95751953125 31.36742401123047 1134.757080078125 33.02206039428711 1151.5933837890625 21.875 1171.284912109375 93.0204086303711 1173.2703857421875 34.04545593261719 1179.8218994140625 113.65333557128906 1184.9676513671875 37.04166793823242 1188.38037109375 29.399999618530273 1191.395263671875 14.024999618530273 1202.12255859375 22.32661247253418 1233.5931396484375 53.14814758300781 1238.52490234375 74.00166320800781 1243.541259765625 40.959999084472656 1254.3082275390625 41.26315689086914 1264.2540283203125 22.285715103149414 1275.2469482421875 32.0476188659668 1277.9268798828125 14.100000381469727 1282.90478515625 14.800000190734863 1296.22802734375 62.798912048339844 1301.8131103515625 21.840909957885742 1306.6414794921875 55.846153259277344 1318.5162353515625 15.125 1338.8663330078125 37.346153259277344 1381.498779296875 50.975807189941406 1382.91796875 21.03125 1385.373046875 38.043479919433594 1401.4134521484375 70.65778350830078 1412.2432861328125 36.173912048339844 1416.265380859375 32.346153259277344 1421.7069091796875 17.1488094329834 1447.9296875 64.78571319580078 1453.02587890625 38.3125 1457.94091796875 32.11556625366211 1463.9556884765625 20.40833282470703 1474.163818359375 31.048913955688477 1480.6082763671875 14.204545021057129 1484.2581787109375 30.112499237060547 1484.7398681640625 47.02777862548828 1491.414306640625 44.25798034667969 1532.75537109375 15.363636016845703 1533.0548095703125 20.782407760620117 1550.7125244140625 21.69230842590332 1553.613525390625 15.240385055541992 1566.03369140625 16.25 1579.7523193359375 39.852272033691406 1591.4658203125 29.0 1601.510986328125 19.375 1614.0279541015625 14.142857551574707 1618.95654296875 16.005952835083008 1620.647705078125 34.08695602416992 1637.36767578125 24.5 1642.78125 22.604999542236328 1656.6468505859375 33.6128044128418 1659.5196533203125 21.57065200805664 1662.43994140625 61.44047546386719 1669.5750732421875 15.059210777282715 1669.7730712890625 16.28125 1672.4423828125 33.07500076293945 1676.337646484375 14.889705657958984 1679.596435546875 29.13306427001953 1683.84814453125 38.3636360168457 1686.438720703125 275.0229797363281 1689.8743896484375 39.246620178222656 1691.239990234375 37.07267379760742 1693.972900390625 43.40277862548828 1704.5181884765625 22.367647171020508 1710.53125 18.91847801208496 1729.8145751953125 17.107759475708008 1730.27685546875 17.008333206176758 1758.7791748046875 19.339284896850586 1787.156494140625 33.25 1805.577392578125 30.111841201782227 1818.5902099609375 33.4900016784668 1897.87548828125 26.273649215698242 1905.06787109375 15.100000381469727 1908.91455078125 21.242647171020508 1929.068603515625 48.125 1940.5762939453125 21.30681800842285 1951.126708984375 26.22282600402832 1962.933837890625 18.77777862548828 1969.7210693359375 17.111841201782227 1970.7520751953125 32.852272033691406 1971.8148193359375 41.80644989013672 1983.937744140625 18.0 END IONS BEGIN IONS TITLE=CCMSLIB00005723254 PEPMASS=616.304871 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=20.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_B11_Paromomycin-Sulfate.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Paromomycin_20eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=NC[C@@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O)O)N)O[C@@H]2[C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H]([C@@H](C[C@@H]([C@H]3O[C@H]4O[C@@H]([C@H]([C@@H]([C@H]4N)O)O)CO)N)N)O)CO INCHI=InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1 INCHIAUX=UOZODPSAJZTQNH-LSWIJEOBSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723254 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723254 SCANS=20491 55.054412841796875 334.70513916015625 57.03326416015625 288.1226501464844 58.028411865234375 81.2807388305664 59.04877853393555 100.04741668701172 60.04457092285156 598.6447143554688 67.05429077148438 269.0 68.04951477050781 1070.3619384765625 69.03352355957031 286.01666259765625 71.01202392578125 360.05029296875 72.04454803466797 425.1372375488281 75.05519104003906 68.59259033203125 80.04891967773438 386.0653381347656 81.03313446044922 635.4517822265625 81.5398178100586 78.2549057006836 83.05955505371094 271.75543212890625 84.04400634765625 3085.44140625 84.08031463623047 49.72844696044922 85.02857971191406 542.8027954101562 86.06019592285156 178.93565368652344 94.06359100341797 170.95481872558594 94.21732330322266 59.79166793823242 96.04462432861328 742.8169555664062 97.02691650390625 311.1598815917969 97.05451965332031 94.35539245605469 97.07561492919922 327.9605407714844 98.0599136352539 1625.5919189453125 99.04499816894531 271.76416015625 99.0643310546875 263.6689758300781 100.0392837524414 204.64356994628906 102.05499267578125 1668.777587890625 103.03753662109375 120.7101058959961 103.05683135986328 190.18370056152344 108.04371643066406 1351.3905029296875 109.04753875732422 203.9729766845703 109.07627868652344 179.3265838623047 110.05883026123047 61.33333206176758 110.31907653808594 122.21338653564453 111.06680297851562 134.68899536132812 114.05359649658203 893.5210571289062 115.03742980957031 67.18344116210938 115.05643463134766 145.5625 116.07069396972656 256.8376770019531 120.06443786621094 450.92919921875 121.07550048828125 109.00833129882812 124.03887939453125 75.56756591796875 124.06340026855469 288.3529357910156 125.0702133178711 6887.30615234375 125.19254302978516 63.32500076293945 126.05453491210938 2309.8916015625 127.03763580322266 48.0 127.05595397949219 110.67222595214844 128.0699005126953 531.6868896484375 129.0863037109375 141.56031799316406 132.0647735595703 1025.7733154296875 133.04815673828125 166.95065307617188 136.07310485839844 105.02325439453125 137.07125854492188 338.0118713378906 138.0537109375 366.14404296875 140.0718536376953 120.61016845703125 142.0483856201172 178.1129608154297 142.0725555419922 90.8776626586914 143.0809783935547 1937.4207763671875 143.7235565185547 46.275001525878906 144.06570434570312 2430.88134765625 144.1182403564453 46.016666412353516 144.14682006835938 62.28409194946289 145.09718322753906 1414.851318359375 146.0795440673828 277.6436767578125 149.06918334960938 55.78409194946289 150.0543975830078 242.4499969482422 151.0846405029297 90.54671478271484 151.78109741210938 48.08333206176758 152.08924865722656 104.69615173339844 153.06295776367188 77.05113983154297 155.08245849609375 176.5 156.06439208984375 459.985595703125 157.09715270996094 74.7202377319336 160.3472900390625 70.00166320800781 160.91725158691406 71.625 161.05682373046875 101.48275756835938 161.0921173095703 90223.109375 161.4217529296875 110.141357421875 161.47503662109375 54.12468719482422 161.4917755126953 85.9453125 161.52508544921875 59.31578826904297 161.54742431640625 118.68085479736328 161.6182403564453 195.3556365966797 161.63433837890625 59.16666793823242 161.66915893554688 48.265350341796875 161.6842803955078 58.34782791137695 161.76681518554688 88.74122619628906 162.054931640625 390.8151550292969 162.0758514404297 7999.86328125 162.0931854248047 3147.972900390625 162.14694213867188 97.0816650390625 162.24176025390625 46.77806091308594 162.42059326171875 63.072059631347656 162.5390625 45.72844696044922 163.0808868408203 594.0960083007812 163.1078643798828 126817.0234375 163.48301696777344 62.247642517089844 163.51361083984375 74.06944274902344 163.5896453857422 53.70833206176758 163.60589599609375 94.3652572631836 163.63197326660156 58.23269271850586 163.70655822753906 62.00806427001953 163.73458862304688 57.79999923706055 163.9107666015625 55.03125 164.072265625 94.67045593261719 164.11050415039062 2962.657958984375 164.95950317382812 65.50892639160156 165.10292053222656 61.923912048339844 165.46620178222656 48.3353157043457 166.09732055664062 265.06329345703125 167.0818328857422 1244.6544189453125 168.06283569335938 69.00595092773438 171.0754852294922 264.9965515136719 172.09713745117188 165.36099243164062 172.4193878173828 224.66403198242188 173.09288024902344 1126.718505859375 174.0751190185547 525.4513549804688 175.10768127441406 235.72500610351562 176.06837463378906 158.906494140625 179.07952880859375 182.5955047607422 179.10205078125 4150.26416015625 180.06655883789062 274.7244567871094 180.1060028076172 223.02122497558594 183.11099243164062 213.90086364746094 184.10382080078125 124.44537353515625 185.09202575683594 989.8099365234375 186.07713317871094 507.47216796875 186.2995147705078 57.387821197509766 187.10763549804688 4702.45166015625 187.60121154785156 45.0 189.63291931152344 51.12009811401367 190.08465576171875 126.5127944946289 192.06471252441406 367.0069885253906 193.0475311279297 78.28938293457031 193.09471130371094 170.0416717529297 197.0916290283203 57.40691375732422 198.07530212402344 356.3435974121094 199.10955810546875 111.88970947265625 200.09776306152344 87.20930480957031 202.11822509765625 867.8525390625 203.10260009765625 64752.4765625 203.40628051757812 58.02122497558594 203.54928588867188 144.171875 203.65260314941406 51.90086364746094 203.69993591308594 60.85141372680664 203.73110961914062 64.0625 203.9472198486328 67.6875 204.10488891601562 2435.865966796875 204.1334991455078 966.0361938476562 205.11834716796875 1007.120361328125 205.31805419921875 52.03703689575195 206.07810974121094 125.82747650146484 209.00222778320312 57.73724365234375 210.07534790039062 235.125 210.09515380859375 179.33163452148438 211.10794067382812 416.74517822265625 212.09051513671875 77.21920013427734 213.0989990234375 153.55648803710938 214.09376525878906 67.73484802246094 216.0900421142578 89.28166961669922 217.0897979736328 183.85467529296875 217.11781311035156 416.6868591308594 221.0911407470703 690.4725341796875 222.07432556152344 300.46893310546875 223.10707092285156 118.09830474853516 224.001953125 262.1976623535156 224.09095764160156 129.46133422851562 226.1162872314453 59.08088302612305 227.10401916503906 137.39096069335938 228.0859832763672 987.1024780273438 228.13221740722656 707.3323364257812 229.11854553222656 798.4722900390625 230.12014770507812 133.76470947265625 231.1315460205078 252.39854431152344 234.0745391845703 83.15243530273438 237.08726501464844 94.11363983154297 239.10244750976562 1475.65087890625 240.087646484375 159.28515625 240.106689453125 137.57142639160156 241.11769104003906 3480.623291015625 241.3226318359375 48.001983642578125 242.12091064453125 116.75849151611328 243.13421630859375 237.11009216308594 245.1132354736328 286.93389892578125 246.09837341308594 61.002906799316406 247.56082153320312 145.01515197753906 251.10296630859375 201.04396057128906 256.1289367675781 134.39682006835938 257.1125183105469 10931.0537109375 257.1847229003906 121.13530731201172 258.097900390625 2643.544189453125 258.4908142089844 49.414215087890625 259.1026611328125 173.77149963378906 259.1287841796875 8928.0380859375 259.19036865234375 104.0644760131836 259.2173156738281 71.046875 260.1313171386719 163.24899291992188 264.10321044921875 114.04255676269531 264.6076965332031 68.33069610595703 265.12127685546875 54.010868072509766 268.1314697265625 149.0784912109375 269.1108703613281 381.1045837402344 269.3480529785156 86.61289978027344 270.14483642578125 216.3690185546875 271.12811279296875 636.1860961914062 272.1284484863281 394.07501220703125 275.1231689453125 14367.8642578125 275.2107849121094 86.28125 275.4226989746094 63.11918640136719 275.6634216308594 44.60499954223633 276.1090087890625 3896.8779296875 276.1737365722656 58.149391174316406 276.4394226074219 74.21302795410156 277.1103210449219 271.66864013671875 277.1397399902344 9682.8720703125 278.1413879394531 374.9897766113281 280.12969970703125 50.14285659790039 281.00238037109375 63.03333282470703 283.1280212402344 197.61602783203125 284.13287353515625 131.06060791015625 286.1390686035156 350.4454650878906 287.1243896484375 1188.42919921875 288.1531982421875 320.5789489746094 289.13836669921875 4030.674072265625 289.204345703125 66.10745239257812 290.142578125 461.063720703125 292.70611572265625 85.72340393066406 292.9914855957031 63.82692337036133 293.09246826171875 323.5787658691406 293.1345520019531 216834.890625 293.65966796875 117.39158630371094 293.7164306640625 151.12466430664062 293.7708740234375 147.35711669921875 293.8216552734375 150.82272338867188 293.9054260253906 112.84893798828125 294.1363830566406 11414.271484375 294.2120056152344 195.03359985351562 294.33551025390625 47.69827651977539 294.4097595214844 61.111488342285156 294.4486389160156 58.39612579345703 294.5010681152344 104.00166320800781 294.52471923828125 58.002777099609375 294.8746032714844 67.13319396972656 294.9199523925781 100.00480651855469 295.08245849609375 52.025001525878906 295.1497802734375 38088.921875 295.3695373535156 48.14881134033203 295.4091491699219 54.792911529541016 295.45208740234375 67.54722595214844 295.49920654296875 136.83944702148438 295.5211181640625 87.68333435058594 295.5450744628906 56.27364730834961 295.66375732421875 74.78177642822266 295.68914794921875 84.01210021972656 296.1524353027344 1808.736572265625 296.65673828125 45.34722137451172 297.16851806640625 57.680084228515625 297.26806640625 50.375 298.6885986328125 95.39933776855469 301.1572570800781 100.45681762695312 303.671875 46.04999923706055 305.1335144042969 1439.7628173828125 306.1343078613281 80.92774963378906 306.16485595703125 480.01678466796875 307.1498107910156 14423.8486328125 307.2176208496094 191.98248291015625 307.2615051269531 72.87903594970703 308.09967041015625 53.77777862548828 308.1524353027344 378.71099853515625 309.1630859375 88.26447296142578 311.143310546875 198.90011596679688 312.1517639160156 212.3000030517578 315.1156005859375 150.7561492919922 317.1178894042969 68.07621765136719 318.1650695800781 94.96491241455078 319.0350341796875 79.6953125 319.1487731933594 1117.42919921875 322.1594543457031 669.0009155273438 323.1649475097656 197.69625854492188 324.1302795410156 202.82717895507812 324.1766357421875 117726.4609375 324.69903564453125 78.2249984741211 324.7994079589844 57.11538314819336 324.8880615234375 103.05357360839844 324.9135437011719 98.00166320800781 325.0088806152344 74.4197769165039 325.033935546875 66.75 325.08251953125 66.01000213623047 325.1150207519531 194.457275390625 325.1799621582031 8239.470703125 325.27734375 107.90140533447266 325.3570861816406 53.43214416503906 325.4834289550781 68.00757598876953 325.5586853027344 45.02045440673828 325.6961364746094 51.181819915771484 326.2405090332031 91.68421173095703 329.7143859863281 62.0816650390625 334.1589660644531 386.28167724609375 336.175048828125 704.4793701171875 337.13897705078125 76.29783630371094 340.013916015625 146.13385009765625 341.1357727050781 110.72000122070312 342.16253662109375 73.4472885131836 347.1373291015625 145.32005310058594 348.1700439453125 64.71195983886719 349.1561584472656 108.19538879394531 354.16864013671875 121.3499984741211 358.1594543457031 82.64102935791016 360.17431640625 300.7315979003906 361.1611633300781 158.3164520263672 365.2003479003906 84.23255920410156 366.18927001953125 267.862060546875 371.1427917480469 219.47314453125 371.1932373046875 126.2727279663086 373.1606140136719 463.320068359375 385.16229248046875 180.46897888183594 390.18707275390625 66.6436538696289 400.1697998046875 392.125 401.1556091308594 558.3580322265625 401.1993408203125 74.40833282470703 402.1868896484375 411.5115661621094 402.3853454589844 44.84011459350586 403.17083740234375 583.44677734375 413.1766357421875 91.02616119384766 418.1777038574219 216.63499450683594 419.165283203125 869.547119140625 420.11358642578125 111.34259033203125 420.1976623535156 9443.83984375 421.1861267089844 1570.666259765625 421.6455078125 67.44642639160156 423.6591796875 78.2249984741211 425.1810302734375 60.76388931274414 436.1921691894531 634.8411865234375 437.17608642578125 472.3879699707031 437.2186584472656 92.17794036865234 438.0889587402344 110.53289794921875 438.2084045410156 28822.978515625 438.3857116699219 111.44971466064453 438.530029296875 183.8698272705078 438.73724365234375 95.35526275634766 438.8531799316406 63.16581726074219 439.1227111816406 73.02777862548828 439.2041320800781 3509.848388671875 439.295654296875 53.0113639831543 439.5174560546875 51.11206817626953 439.8427429199219 70.69778442382812 440.0338439941406 89.66666412353516 440.076904296875 50.63999938964844 440.1921691894531 243.82102966308594 444.18511962890625 84.38461303710938 447.12298583984375 120.5 454.12579345703125 51.5 454.202880859375 5463.9599609375 455.0716857910156 54.71428680419922 455.1291809082031 125.01960754394531 455.2348937988281 75402.9296875 455.7110900878906 73.54117584228516 455.77569580078125 108.39933776855469 455.83135986328125 63.73160171508789 455.87213134765625 62.84294891357422 455.9405212402344 133.6855926513672 455.9687194824219 151.0184783935547 456.0149841308594 185.90902709960938 456.0472106933594 109.02083587646484 456.1461486816406 114.17308044433594 456.219970703125 69983.453125 456.72607421875 73.14244079589844 456.77105712890625 206.07260131835938 456.79669189453125 95.56018829345703 456.8681640625 97.70394897460938 456.9207458496094 154.4516143798828 457.04998779296875 71.00640869140625 457.2209167480469 5948.66259765625 457.2991943359375 189.1534881591797 457.3912353515625 53.586334228515625 457.4506530761719 81.39933776855469 457.520263671875 123.52083587646484 457.72052001953125 96.21338653564453 457.8222351074219 56.04166793823242 458.23126220703125 51.7578125 458.6026306152344 58.98892593383789 460.6199035644531 47.13793182373047 461.22442626953125 101.19853210449219 461.34320068359375 46.084014892578125 461.90362548828125 64.52355194091797 463.2033996582031 103.34777069091797 466.1988830566406 66.94541931152344 475.20782470703125 84.00555419921875 479.2342834472656 10540.12890625 479.508544921875 56.735294342041016 480.23992919921875 946.9391479492188 484.2548522949219 125.1738510131836 486.2388916015625 175.11935424804688 491.2322082519531 614.0098266601562 496.2617492675781 5456.53662109375 497.2642822265625 642.4380493164062 503.2312316894531 179.1764678955078 506.0928039550781 54.20833206176758 509.24530029296875 560.315673828125 510.216064453125 76.59439086914062 510.2530822753906 47.5 520.2557373046875 111.66759490966797 521.235595703125 144.63711547851562 533.2550048828125 58.889286041259766 538.2686157226562 63.001922607421875 544.2606201171875 728.000244140625 545.2448120117188 868.9085693359375 546.2556762695312 149.36489868164062 562.2725830078125 491.8049011230469 563.255126953125 1047.212646484375 564.2394409179688 52.85141372680664 566.2364501953125 60.08626937866211 580.2841796875 68.11764526367188 581.2659912109375 2341.09228515625 582.2684326171875 235.4156494140625 598.2985229492188 329.6116027832031 599.2774658203125 1734.4727783203125 599.3532104492188 111.02857208251953 600.2815551757812 234.00245666503906 600.4729614257812 70.2249984741211 614.3151245117188 91.02564239501953 615.2327270507812 185.5294189453125 615.5457763671875 65.08333587646484 615.6087646484375 161.92381286621094 615.6832885742188 96.44021606445312 615.7652587890625 116.52006530761719 615.88037109375 59.08695602416992 615.912109375 90.00714111328125 616.0153198242188 87.95930480957031 616.3036499023438 444272.15625 617.0491333007812 76.55804443359375 617.1148681640625 371.7686462402344 617.1841430664062 235.88729858398438 617.2484130859375 177.10720825195312 617.3067626953125 53684.25 617.749755859375 128.3749237060547 617.8106079101562 74.44927215576172 617.867919921875 245.71353149414062 617.985107421875 146.4623565673828 618.03173828125 145.46405029296875 618.0895385742188 83.88533782958984 618.1704711914062 74.9512939453125 618.23486328125 74.82598114013672 618.2984008789062 102.44999694824219 618.4012451171875 77.06314086914062 618.5475463867188 62.102272033691406 618.6327514648438 82.17308044433594 618.6630249023438 49.191551208496094 618.9071655273438 60.36890411376953 619.1008911132812 71.51519012451172 619.232421875 44.066490173339844 619.3705444335938 76.48063659667969 619.4969482421875 58.884803771972656 619.5310668945312 67.64015197753906 619.6158447265625 62.69551467895508 619.6614379882812 67.24500274658203 620.0516357421875 48.73500061035156 620.53759765625 68.70454406738281 620.6181030273438 61.0 621.9987182617188 51.20161437988281 622.034423828125 94.52083587646484 623.3588256835938 44.032142639160156 629.4253540039062 65.04280853271484 635.5830078125 54.107757568359375 681.9832763671875 60.400001525878906 689.6802368164062 74.49324035644531 692.506591796875 79.3507308959961 711.4318237304688 71.29783630371094 734.35986328125 45.26041793823242 781.3200073242188 84.1893539428711 857.2955322265625 44.003047943115234 953.9759521484375 79.23076629638672 985.129638671875 58.265350341796875 1035.2626953125 89.92774963378906 1070.2041015625 119.375 1102.506103515625 77.27841186523438 1117.732666015625 79.0816650390625 1191.6434326171875 55.111488342285156 1199.552978515625 259.2908020019531 1330.3441162109375 50.439998626708984 1338.421630859375 53.975807189941406 1354.1085205078125 80.43289184570312 1436.83056640625 145.8780517578125 1466.1981201171875 77.53260803222656 1598.05029296875 70.08087921142578 1749.2314453125 51.55769348144531 1757.9642333984375 76.56395721435547 1945.045654296875 54.69827651977539 END IONS BEGIN IONS TITLE=CCMSLIB00005723255 PEPMASS=616.304871 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=40.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_B11_Paromomycin-Sulfate.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Paromomycin_40eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=NC[C@@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O)O)N)O[C@@H]2[C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H]([C@@H](C[C@@H]([C@H]3O[C@H]4O[C@@H]([C@H]([C@@H]([C@H]4N)O)O)CO)N)N)O)CO INCHI=InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1 INCHIAUX=UOZODPSAJZTQNH-LSWIJEOBSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723255 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723255 SCANS=20823 53.03793716430664 491.85870361328125 55.017967224121094 682.7789306640625 55.05429458618164 329.55133056640625 56.05021286010742 1134.0587158203125 57.033573150634766 1477.62060546875 58.02743911743164 213.89926147460938 58.06443786621094 352.297607421875 59.04890060424805 136.75 59.824703216552734 45.556034088134766 60.04464340209961 9276.1357421875 60.07356262207031 162.13792419433594 61.028324127197266 731.8976440429688 61.04661560058594 130.90658569335938 64.43417358398438 95.13626098632812 67.0555648803711 281.1563720703125 68.04977416992188 6056.611328125 68.08362579345703 86.14286041259766 68.1031723022461 47.814815521240234 68.29499816894531 54.25714111328125 68.99726867675781 85.3223648071289 69.03343963623047 3390.33056640625 69.06636047363281 91.01000213623047 70.02867889404297 73.8647232055664 70.06412506103516 792.7168579101562 70.46021270751953 39.92307662963867 71.01219177246094 220.125 71.05020141601562 999.5993041992188 71.49449920654297 38.16666793823242 72.04471588134766 7881.40625 73.02831268310547 709.669921875 73.03875732421875 655.94677734375 74.0323715209961 129.25802612304688 74.05974578857422 422.9423828125 75.04388427734375 484.7547302246094 80.049560546875 12909.3720703125 80.10675048828125 53.0118408203125 81.03389739990234 3413.16015625 81.05184173583984 767.1724243164062 81.28329467773438 88.04435729980469 82.0290298461914 681.55859375 82.06494140625 1481.8017578125 83.04894256591797 739.0757446289062 83.0597915649414 772.114501953125 83.11814880371094 45.16071319580078 83.1886215209961 43.14130401611328 83.23216247558594 45.02206039428711 84.04421997070312 15633.2841796875 84.0804443359375 477.8292541503906 84.10246276855469 117.06649017333984 84.15023040771484 39.10714340209961 84.20153045654297 55.31428527832031 84.22673034667969 37.209999084472656 84.25801849365234 48.281978607177734 84.38617706298828 45.04999923706055 84.47904968261719 38.227272033691406 85.02903747558594 4022.373779296875 85.90077209472656 50.782405853271484 86.06026458740234 1396.2598876953125 87.04377746582031 118.01041412353516 88.03984832763672 645.2841186523438 90.05519104003906 582.7042236328125 92.04959106445312 429.8014831542969 94.02651977539062 69.81818389892578 94.06413269042969 1081.31298828125 94.4766845703125 66.0837631225586 95.04901123046875 180.8513641357422 95.06078338623047 116.05000305175781 96.00787353515625 130.9388885498047 96.04432678222656 3991.213134765625 96.0822982788086 57.905487060546875 97.02840423583984 8650.966796875 97.07635498046875 1353.94482421875 97.12825775146484 54.625 97.59359741210938 39.15705108642578 98.05973052978516 10091.396484375 98.10053253173828 146.0163116455078 99.04430389404297 859.2353515625 99.06103515625 916.69140625 100.03876495361328 275.4087219238281 100.0744857788086 393.4673156738281 101.02188873291016 373.8515319824219 101.06848907470703 157.3878173828125 101.36161041259766 34.21542739868164 101.98775482177734 50.570945739746094 102.03469848632812 204.2288055419922 102.05498504638672 13440.9072265625 102.2520751953125 68.9453125 102.31124877929688 48.02045440673828 103.03787231445312 237.88983154296875 103.05746459960938 240.02420043945312 104.04177856445312 96.375 106.06551361083984 257.064208984375 107.0603256225586 355.2252197265625 108.04409790039062 8501.6845703125 108.0867919921875 118.0387954711914 108.21041107177734 44.084014892578125 108.22887420654297 94.23076629638672 108.25103759765625 97.21184539794922 109.02845001220703 642.8229370117188 109.04719543457031 465.3209533691406 109.0763168334961 975.5872802734375 109.29989624023438 42.34913635253906 109.33306884765625 34.03571319580078 110.05980682373047 5916.42822265625 110.10821533203125 73.65406799316406 111.04440307617188 488.8128967285156 111.05308532714844 387.3771667480469 112.03990173339844 1213.040771484375 113.06884765625 313.5 113.9601821899414 68.8533935546875 114.05464172363281 18532.337890625 114.22290802001953 41.09000015258789 114.28515625 39.5625 114.29772186279297 64.06428527832031 114.39035034179688 52.4568977355957 115.03868103027344 2785.623291015625 115.05646514892578 1105.831787109375 115.0840835571289 191.96694946289062 116.04925537109375 161.47999572753906 116.07049560546875 1268.2774658203125 116.10100555419922 35.11249923706055 117.06681823730469 66.4490737915039 118.06549835205078 130.14796447753906 119.06056213378906 131.00099182128906 120.0440902709961 378.2115478515625 120.06547546386719 1004.0618286132812 121.03880310058594 186.64654541015625 121.07563781738281 619.0302734375 121.38787078857422 59.7931022644043 122.0421371459961 58.55577087402344 122.06014251708984 1294.6368408203125 123.05403137207031 199.8919677734375 123.09109497070312 67.26535034179688 124.03814697265625 1424.8299560546875 124.06112670898438 805.4509887695312 124.07307434082031 534.5409545898438 124.97483825683594 46.08654022216797 125.03362274169922 213.015869140625 125.0707015991211 48899.75390625 125.2510757446289 82.0981216430664 125.28012084960938 81.45153045654297 125.3155517578125 40.720237731933594 125.42438507080078 52.0 125.49613189697266 64.7562484741211 125.59613800048828 55.16345977783203 125.61528015136719 49.44444274902344 125.93706512451172 56.02045440673828 126.05472564697266 18563.810546875 126.12647247314453 115.17045593261719 126.22195434570312 42.889286041259766 126.64974212646484 45.24137878417969 127.0384750366211 1765.05029296875 127.0555419921875 891.0003051757812 127.13812255859375 38.44643020629883 128.04112243652344 143.21490478515625 128.07069396972656 3549.054931640625 128.11578369140625 64.015625 128.1343994140625 43.6128044128418 130.04928588867188 274.23980712890625 131.05262756347656 78.11764526367188 132.04393005371094 227.6423797607422 132.0655517578125 4242.81640625 132.39544677734375 36.65681838989258 133.02822875976562 147.82720947265625 133.04916381835938 2109.804931640625 133.0752716064453 608.14453125 133.11849975585938 53.125 133.65322875976562 50.3629035949707 133.7854461669922 42.20000076293945 134.06036376953125 875.9417114257812 134.0779571533203 441.1985778808594 134.1026611328125 85.5186767578125 134.3444061279297 35.026161193847656 135.05604553222656 392.72845458984375 135.0902862548828 133.02764892578125 136.03897094726562 501.57171630859375 136.074951171875 242.39646911621094 136.40184020996094 78.4629135131836 137.07073974609375 586.0665893554688 138.05426025390625 2368.314453125 138.09861755371094 59.84090805053711 138.26461791992188 37.61538314819336 139.03878784179688 373.625 139.0866241455078 781.768798828125 140.06948852539062 1046.84375 141.065185546875 441.1636047363281 141.10289001464844 137.64208984375 142.0493621826172 106.2326889038086 142.07293701171875 133.56333923339844 142.0850830078125 218.669189453125 143.0307159423828 220.43292236328125 143.08123779296875 10881.6494140625 143.13526916503906 115.03448486328125 143.31201171875 49.63333511352539 143.3822021484375 40.04166793823242 144.0654754638672 18842.185546875 144.15687561035156 37.387821197509766 144.21937561035156 40.0 144.29925537109375 87.51612854003906 144.3878631591797 99.07843017578125 144.64073181152344 86.1191177368164 144.67845153808594 42.121212005615234 144.69955444335938 88.06617736816406 145.04859924316406 291.86798095703125 145.0680389404297 1187.7010498046875 145.09689331054688 9670.142578125 145.1438446044922 156.01612854003906 145.30982971191406 46.08654022216797 145.4390106201172 52.1875 145.8246307373047 106.53289794921875 146.0591583251953 718.3673706054688 146.08106994628906 2319.62353515625 147.08592224121094 70.11637878417969 147.27542114257812 34.032142639160156 148.07493591308594 654.7377319335938 149.07223510742188 698.9796142578125 150.054931640625 4282.43212890625 151.0576934814453 220.1405029296875 151.0858612060547 855.1295776367188 152.0688934326172 616.91357421875 152.73770141601562 84.00147247314453 153.0662384033203 190.77777099609375 154.04852294921875 102.96875 154.0756378173828 265.625 155.0811767578125 1618.2230224609375 156.06541442871094 3374.1318359375 157.0498809814453 212.6228485107422 157.06748962402344 143.16802978515625 157.09800720214844 953.5435791015625 158.05899047851562 189.2223663330078 158.0799102783203 429.6022644042969 158.17041015625 42.025001525878906 159.07485961914062 292.3153076171875 160.05926513671875 321.5355529785156 160.07785034179688 376.36297607421875 161.0924072265625 148039.265625 161.4747772216797 97.00657653808594 161.51100158691406 134.7346954345703 161.5396270751953 62.996665954589844 161.58328247070312 37.744136810302734 161.6685333251953 50.875 161.71853637695312 74.65406799316406 161.82510375976562 98.6875 161.95240783691406 124.63636016845703 161.97377014160156 65.00198364257812 162.0542449951172 893.9319458007812 162.07623291015625 29194.572265625 162.19715881347656 75.77291870117188 162.20794677734375 110.22236633300781 162.29307556152344 96.50521087646484 162.31053161621094 83.32142639160156 162.34793090820312 68.84011840820312 162.36814880371094 44.28571319580078 162.38714599609375 63.18408966064453 162.41490173339844 55.0 162.50917053222656 40.3125 162.7311553955078 146.2109832763672 162.7881317138672 58.06428527832031 162.93026733398438 100.63157653808594 162.96412658691406 99.85969543457031 163.01995849609375 244.64076232910156 163.10768127441406 330334.0625 163.50079345703125 56.580326080322266 163.52407836914062 48.21044158935547 163.6093292236328 100.5 163.6787872314453 38.638511657714844 163.7338104248047 56.640926361083984 163.79151916503906 53.08088302612305 163.8592987060547 46.18089294433594 163.88558959960938 44.19926452636719 163.9012908935547 69.63377380371094 163.93917846679688 77.69444274902344 163.98770141601562 35.918479919433594 164.02098083496094 62.01250076293945 164.04522705078125 212.2086944580078 164.07003784179688 835.0523681640625 164.11074829101562 7463.5419921875 164.1687469482422 121.1500015258789 164.21788024902344 72.06730651855469 164.24917602539062 66.73184204101562 164.3024139404297 44.67499923706055 164.33424377441406 69.49342346191406 164.39230346679688 34.818180084228516 164.52932739257812 71.16000366210938 164.64523315429688 61.032257080078125 164.70541381835938 89.5062484741211 164.7169647216797 39.08333206176758 164.83644104003906 87.43243408203125 164.91722106933594 35.01041793823242 165.0884552001953 260.91796875 165.10147094726562 281.9239196777344 165.20274353027344 60.0 165.4618682861328 53.153846740722656 165.6490020751953 56.57143020629883 166.0521240234375 110.01499938964844 166.09033203125 255.61985778808594 166.35101318359375 51.28571319580078 166.85733032226562 34.65760803222656 167.05308532714844 101.5562515258789 167.08119201660156 15824.287109375 167.1417694091797 238.57444763183594 167.23526000976562 36.01388931274414 167.6351776123047 66.03765106201172 167.72207641601562 47.16569900512695 167.8510284423828 38.002777099609375 168.06455993652344 1040.78857421875 168.08157348632812 939.4800415039062 168.61219787597656 43.061275482177734 169.0446319580078 65.5 169.07565307617188 100.19999694824219 169.09710693359375 4107.37109375 169.1488037109375 62.181819915771484 169.2621307373047 34.07267379760742 169.6768035888672 70.93965148925781 170.0808868408203 626.7109985351562 171.07501220703125 615.1835327148438 172.05892944335938 111.78048706054688 172.09500122070312 343.2414245605469 173.0916290283203 6520.36572265625 173.1449737548828 92.04762268066406 173.27926635742188 48.026161193847656 173.4576873779297 61.002357482910156 173.87408447265625 35.149391174316406 174.07662963867188 1584.0889892578125 175.0856170654297 430.8172607421875 175.1078643798828 1040.656494140625 176.07017517089844 1107.50634765625 176.08860778808594 397.34918212890625 177.06353759765625 220.14285278320312 177.0994415283203 192.01817321777344 177.54701232910156 40.54166793823242 178.04946899414062 255.7102813720703 178.08428955078125 493.0014343261719 179.07989501953125 212.94091796875 179.101806640625 974.306396484375 179.25865173339844 36.0025520324707 180.0650634765625 1742.73388671875 180.78175354003906 45.002777099609375 181.0973358154297 188.17442321777344 181.51593017578125 41.43269348144531 182.08224487304688 601.7902221679688 183.0779266357422 190.9014129638672 184.08604431152344 46.17378234863281 184.10504150390625 43.142242431640625 185.06927490234375 111.85851287841797 185.0913543701172 10290.9658203125 186.05319213867188 46.32661437988281 186.0762176513672 1892.063720703125 186.09317016601562 901.2734985351562 186.30027770996094 35.0024528503418 187.1076202392578 26227.634765625 187.5750732421875 43.16666793823242 187.6099853515625 41.94117736816406 187.63929748535156 60.595237731933594 187.74050903320312 51.69551467895508 187.9723663330078 36.681602478027344 188.0916748046875 269.23260498046875 188.10995483398438 918.756103515625 188.80685424804688 63.931339263916016 189.06362915039062 152.293701171875 190.10081481933594 242.64865112304688 191.0821075439453 183.36363220214844 192.06568908691406 1954.5069580078125 193.0667266845703 135.65650939941406 193.097412109375 1292.93017578125 193.14926147460938 37.28409194946289 194.08067321777344 2519.78125 194.3192901611328 38.900001525878906 194.59022521972656 34.1875 195.07859802246094 139.17857360839844 196.060791015625 346.05419921875 197.04396057128906 58.12816619873047 197.0915985107422 1266.785400390625 197.1310272216797 214.6201629638672 198.07595825195312 2005.40478515625 198.16665649414062 39.14244079589844 199.0758056640625 179.61817932128906 199.10809326171875 559.9854736328125 200.0883026123047 79.36095428466797 201.12278747558594 65.375 202.06761169433594 159.00595092773438 202.09999084472656 143.22500610351562 202.118408203125 1134.0972900390625 202.90357971191406 261.562255859375 203.1025848388672 84544.1640625 203.5641632080078 83.40908813476562 203.63949584960938 86.38941955566406 203.68389892578125 59.13031768798828 203.7137451171875 82.10810852050781 204.06491088867188 534.9511108398438 204.1048583984375 2501.769775390625 204.13360595703125 2108.12744140625 204.3673858642578 39.556034088134766 204.38612365722656 48.125 205.09524536132812 265.6666564941406 205.11773681640625 4107.27685546875 205.1751251220703 54.01785659790039 206.0814666748047 361.8062438964844 206.12217712402344 148.0800323486328 206.43675231933594 43.52083206176758 207.25418090820312 100.10020446777344 208.10450744628906 45.959999084472656 209.09278869628906 809.0660400390625 210.0751953125 4762.1591796875 210.13182067871094 184.43289184570312 211.05926513671875 122.33333587646484 211.07833862304688 109.11538696289062 211.10739135742188 3761.57861328125 212.0919952392578 2023.003662109375 212.1510009765625 40.782405853271484 213.05874633789062 87.67876434326172 213.09681701660156 90.61250305175781 213.12356567382812 132.02127075195312 214.0960235595703 80.375 215.10122680664062 376.4179992675781 215.4969024658203 50.040000915527344 216.0867156982422 705.7520751953125 217.02574157714844 69.36029052734375 217.09622192382812 346.9806213378906 217.11856079101562 537.4285888671875 218.10226440429688 72.95270538330078 219.51815795898438 52.00833511352539 220.94606018066406 87.8167495727539 221.0915985107422 2421.0068359375 221.15609741210938 35.019229888916016 222.0795135498047 1038.673583984375 223.0555419921875 89.03093719482422 223.10804748535156 3229.7265625 223.16943359375 48.01388931274414 223.33685302734375 34.92091751098633 224.0900421142578 593.57861328125 224.10565185546875 257.35211181640625 225.10177612304688 207.43621826171875 226.07115173339844 115.70420837402344 226.11912536621094 77.2892837524414 227.10284423828125 1741.5093994140625 228.08673095703125 4821.94580078125 228.1324920654297 2006.3502197265625 228.39767456054688 34.63999938964844 228.50758361816406 61.11556625366211 229.1181182861328 4773.1162109375 230.0752716064453 58.875 230.1171112060547 344.58795166015625 231.06085205078125 69.5931396484375 232.13021850585938 63.05482482910156 233.09146118164062 542.1591186523438 233.90858459472656 56.12036895751953 234.1435546875 116.52941131591797 235.10711669921875 378.7936096191406 236.0904998779297 152.89352416992188 239.1024932861328 11283.3427734375 239.16131591796875 137.02296447753906 240.08782958984375 3087.876708984375 240.13131713867188 212.28665161132812 240.3418731689453 44.275001525878906 240.40208435058594 78.0250015258789 240.50880432128906 47.18408966064453 241.09039306640625 432.4413757324219 241.11817932128906 26118.392578125 241.18092346191406 355.1209716796875 241.62481689453125 34.61538314819336 241.65057373046875 41.69230651855469 241.72499084472656 120.00714111328125 241.8121337890625 52.94230651855469 241.8824920654297 61.959999084472656 242.0072479248047 45.224998474121094 242.1210174560547 1614.6240234375 242.17788696289062 104.43289184570312 243.09974670410156 132.28030395507812 244.12689208984375 145.89346313476562 245.1101531982422 113.7368392944336 246.09698486328125 960.9678955078125 246.71438598632812 39.14814758300781 247.10684204101562 452.3827209472656 248.1110382080078 656.5794677734375 250.11659240722656 116.56034851074219 251.0987548828125 161.98338317871094 251.6156463623047 154.64002990722656 252.106201171875 202.12631225585938 252.1317138671875 180.6297607421875 253.11822509765625 1494.78515625 254.10186767578125 186.226806640625 254.14962768554688 268.04034423828125 256.80560302734375 49.36742401123047 257.0723876953125 250.12855529785156 257.11322021484375 23404.744140625 257.1772766113281 368.3696594238281 257.2521057128906 51.089744567871094 257.2680969238281 39.36742401123047 257.5314025878906 45.2717399597168 258.0976867675781 9257.076171875 258.3570556640625 36.08654022216797 258.4507751464844 96.0952377319336 258.8037414550781 41.003787994384766 259.12908935546875 28660.234375 259.3417663574219 163.56790161132812 259.4654846191406 57.965518951416016 259.5312194824219 91.38941955566406 259.5865478515625 34.005435943603516 259.6285095214844 75.72844696044922 259.6794128417969 49.671295166015625 259.7713928222656 49.224998474121094 259.8374328613281 76.4375 260.1324768066406 1441.7760009765625 260.4599609375 63.00154495239258 260.4996643066406 40.9262809753418 260.9483337402344 87.72664642333984 261.14410400390625 50.0529670715332 263.1056213378906 171.8898162841797 264.13330078125 110.35820770263672 265.1183166503906 1218.078125 266.12359619140625 129.32969665527344 267.1332702636719 106.20500183105469 268.1265563964844 86.2545166015625 269.1120910644531 767.8768310546875 270.09552001953125 149.14224243164062 270.14385986328125 643.4984130859375 270.508056640625 63.02941131591797 270.9956359863281 43.016666412353516 271.1285400390625 4230.392578125 271.1922607421875 38.230770111083984 271.51397705078125 42.15705108642578 272.1120910644531 560.2672119140625 272.12896728515625 517.0826416015625 272.20684814453125 55.00186538696289 272.991943359375 117.25 273.1427307128906 57.125 274.9424133300781 49.342594146728516 275.09832763671875 290.18804931640625 275.12335205078125 11051.78515625 275.5110778808594 46.00893020629883 275.5353698730469 52.00833511352539 275.78118896484375 76.69827270507812 275.8894348144531 82.01041412353516 275.9206237792969 58.04166793823242 276.1089782714844 4937.78515625 276.4460754394531 99.0851058959961 277.1082458496094 217.25454711914062 277.13946533203125 18046.232421875 277.3297424316406 38.03628921508789 277.43402099609375 45.810001373291016 277.60150146484375 36.01388931274414 277.73724365234375 69.81818389892578 278.1425476074219 1632.136962890625 278.18719482421875 61.21120834350586 278.9396057128906 41.934322357177734 279.120849609375 108.4631118774414 279.5167541503906 48.01388931274414 280.1303405761719 145.0928955078125 281.1114501953125 110.38095092773438 281.9140625 113.66785430908203 282.1429748535156 1432.9189453125 283.1285095214844 1549.0145263671875 285.8778381347656 44.00806427001953 287.1235656738281 2242.40625 287.55322265625 37.32661437988281 288.1089172363281 45.782405853271484 288.1545715332031 1333.6038818359375 288.6914978027344 80.48521423339844 289.0826416015625 75.22711181640625 289.13934326171875 22643.951171875 289.2110900878906 280.1736145019531 289.32281494140625 47.00227355957031 289.411865234375 41.79999923706055 289.43280029296875 48.80500030517578 289.4759521484375 36.05356979370117 289.57293701171875 71.23670196533203 289.6393127441406 56.11206817626953 289.8439636230469 92.8271713256836 290.08428955078125 115.68022918701172 290.141357421875 1172.6778564453125 290.26422119140625 53.33552551269531 290.7305908203125 55.166046142578125 293.1341857910156 19605.29296875 293.2754211425781 83.50701904296875 293.3778076171875 43.25 293.460693359375 45.51524353027344 293.7919921875 39.75 293.9935607910156 104.04521179199219 294.1201171875 3387.912353515625 294.1944580078125 89.04166412353516 294.56744384765625 55.01315689086914 294.8778076171875 42.53260803222656 295.1195983886719 204.93939208984375 295.149658203125 26899.556640625 295.2175598144531 313.23077392578125 295.3788146972656 42.0 295.4325256347656 56.00675582885742 295.54498291015625 69.43112182617188 295.57763671875 47.67045593261719 295.689208984375 40.04807662963867 296.1521911621094 1912.9881591796875 296.2024230957031 47.100807189941406 296.5008850097656 84.01461029052734 298.1387939453125 122.88934326171875 300.1541748046875 293.60357666015625 300.3916015625 52.84000015258789 301.09454345703125 54.86472702026367 301.1390686035156 499.4311828613281 304.1514892578125 84.20714569091797 305.1325988769531 1067.074951171875 305.2107238769531 40.235294342041016 305.50830078125 39.414215087890625 306.13885498046875 174.58729553222656 306.1660461425781 589.163330078125 306.3160705566406 40.08035659790039 307.149658203125 27220.60546875 307.3321838378906 37.592105865478516 307.4353942871094 67.00806427001953 307.5633239746094 62.088768005371094 307.63629150390625 36.09000015258789 307.8369140625 71.06944274902344 308.1517028808594 906.5533447265625 309.4539489746094 50.4571418762207 310.14093017578125 47.246620178222656 313.13653564453125 253.28009033203125 317.1305236816406 88.08333587646484 317.1578063964844 73.33611297607422 318.1642150878906 224.0453643798828 319.1498107910156 3784.86328125 320.15435791015625 289.70416259765625 320.2750549316406 52.45153045654297 324.1763000488281 6658.0 324.2567443847656 87.04762268066406 324.39434814453125 41.21542739868164 324.5087890625 105.5201644897461 324.5340270996094 45.796051025390625 324.9771423339844 74.60953521728516 325.1383972167969 210.02349853515625 325.17822265625 772.6427612304688 329.1776428222656 47.20192337036133 331.1474609375 379.8768005371094 334.15576171875 236.01467895507812 335.12164306640625 170.2471923828125 336.1684875488281 299.3105773925781 337.1395263671875 478.1920471191406 338.1396484375 126.15277862548828 339.14093017578125 102.22711181640625 342.16448974609375 199.67604064941406 344.14556884765625 106.69230651855469 347.11907958984375 40.028846740722656 347.1463317871094 52.85969543457031 348.1448974609375 197.49057006835938 348.8514099121094 57.456817626953125 349.1598205566406 450.2930908203125 349.2064208984375 151.58680725097656 350.12420654296875 80.63185119628906 355.14385986328125 201.47946166992188 355.8818054199219 50.43269348144531 358.165283203125 56.43269348144531 360.1711730957031 114.3314208984375 360.35858154296875 87.30816650390625 361.1645812988281 75.60356903076172 362.1667175292969 95.16604614257812 365.1319885253906 165.00384521484375 366.1703796386719 183.45069885253906 366.44677734375 34.12009811401367 367.15167236328125 637.7044067382812 372.1765441894531 297.9342346191406 373.1611328125 368.9527587890625 381.04150390625 117.10344696044922 383.141357421875 282.39068603515625 384.0114440917969 108.61286163330078 384.1756286621094 195.3778533935547 385.1582336425781 876.9600219726562 386.1495056152344 47.11538314819336 389.95880126953125 63.64554977416992 390.1853942871094 87.8780517578125 391.332763671875 77.7202377319336 400.16656494140625 63.166046142578125 401.1577453613281 99.25 401.2035827636719 157.84091186523438 402.1874084472656 529.2850341796875 403.17083740234375 2420.810302734375 404.169921875 69.15921020507812 413.1780700683594 300.0 419.17071533203125 47.599998474121094 420.19677734375 2302.875 420.27880859375 46.414215087890625 420.7417907714844 37.173912048339844 421.184326171875 1749.7530517578125 421.67584228515625 62.06944274902344 422.3587951660156 74.00833129882812 434.2028503417969 56.001922607421875 436.2012939453125 132.0474090576172 437.2207336425781 146.92987060546875 438.17669677734375 121.10437774658203 438.20855712890625 1440.574951171875 439.19219970703125 1009.3560791015625 443.211669921875 158.82272338867188 444.1951599121094 85.5436782836914 444.6549987792969 71.30615997314453 448.1920166015625 59.25 454.19854736328125 145.81790161132812 455.2337951660156 980.5599975585938 456.2162170410156 2412.34375 456.4503479003906 42.67856979370117 456.7842102050781 44.01041793823242 457.0952453613281 89.36565399169922 457.2178955078125 236.24253845214844 462.197265625 104.49019622802734 462.2322692871094 114.08474731445312 474.2083740234375 138.02174377441406 479.2361755371094 487.4083251953125 480.2479553222656 53.72058868408203 486.1081848144531 39.290321350097656 503.2311706542969 104.08220672607422 504.2381591796875 91.5706558227539 519.665771484375 140.0 521.0360717773438 58.032257080078125 545.248046875 199.97531127929688 555.9712524414062 55.0 562.2695922851562 88.31999969482422 563.2568359375 67.34615325927734 564.2366333007812 117.96695709228516 564.9696655273438 155.22222900390625 567.9660034179688 87.22282409667969 571.1486206054688 52.88461685180664 572.6585083007812 92.23880767822266 574.9668579101562 67.90674591064453 580.2792358398438 129.05419921875 581.270263671875 117.84181213378906 588.0172119140625 48.202274322509766 599.283203125 42.36742401123047 616.2827758789062 145.67013549804688 629.0193481445312 66.92008209228516 636.2840576171875 46.842105865478516 638.9385375976562 56.53065872192383 646.1836547851562 40.08035659790039 648.35693359375 56.207191467285156 680.5692749023438 36.0 681.1192016601562 56.011905670166016 701.76953125 42.5610466003418 703.63525390625 41.20000076293945 727.6846923828125 37.0184440612793 734.0494995117188 47.00925827026367 737.4341430664062 38.3684196472168 742.768310546875 42.33333206176758 750.091064453125 37.14881134033203 768.4131469726562 58.68597412109375 791.7200317382812 54.71428680419922 796.7109375 55.272727966308594 798.879638671875 66.49342346191406 799.021484375 59.80277633666992 811.9671020507812 108.04537200927734 866.0208740234375 53.57857131958008 871.6815185546875 43.209999084472656 897.4346923828125 84.625 899.0086669921875 46.14244079589844 899.2687377929688 44.69565200805664 917.83740234375 35.469444274902344 948.8343505859375 51.248287200927734 1041.0340576171875 37.4934196472168 1128.2542724609375 56.4453125 1133.1124267578125 35.22282791137695 1157.0965576171875 68.3712158203125 1220.1534423828125 59.0452880859375 1300.6488037109375 49.846153259277344 1313.8292236328125 70.56395721435547 1320.052978515625 61.07258224487305 1395.7867431640625 51.51024627685547 1418.21435546875 63.0184440612793 1513.0858154296875 52.61249923706055 1516.4459228515625 52.52355194091797 1567.385009765625 44.40909194946289 1608.858642578125 45.00893020629883 1634.4818115234375 45.761905670166016 1664.1473388671875 88.5143814086914 1664.217041015625 50.007354736328125 1678.4864501953125 74.47206115722656 1761.9259033203125 43.35539245605469 1799.9581298828125 48.0113639831543 1872.430419921875 46.88999938964844 1921.91015625 39.44643020629883 1997.35791015625 45.469444274902344 END IONS BEGIN IONS TITLE=CCMSLIB00005723256 PEPMASS=616.304871 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=50.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_B11_Paromomycin-Sulfate.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Paromomycin_50eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=NC[C@@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O)O)N)O[C@@H]2[C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H]([C@@H](C[C@@H]([C@H]3O[C@H]4O[C@@H]([C@H]([C@@H]([C@H]4N)O)O)CO)N)N)O)CO INCHI=InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1 INCHIAUX=UOZODPSAJZTQNH-LSWIJEOBSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723256 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723256 SCANS=21155 53.0386848449707 376.0425109863281 54.033870697021484 153.3563995361328 54.27214431762695 25.1875 55.017818450927734 1516.332275390625 55.05409240722656 925.47265625 56.04945755004883 3827.39453125 56.09587860107422 25.3125 56.1583137512207 44.125 56.499725341796875 25.066667556762695 57.03466796875 3437.480712890625 57.7087516784668 78.1728744506836 58.02889633178711 783.0809326171875 58.05018997192383 27.036291122436523 58.064815521240234 699.8135375976562 59.049407958984375 803.514404296875 60.044532775878906 13067.7314453125 60.075645446777344 216.5373077392578 60.110633850097656 37.010868072509766 60.12952423095703 61.00925827026367 60.16527557373047 73.78048706054688 60.183345794677734 21.349138259887695 60.32423782348633 33.603572845458984 61.028873443603516 779.0692138671875 61.04674530029297 80.47115325927734 64.34210205078125 24.07621955871582 67.01727294921875 66.89473724365234 67.04112243652344 64.7562484741211 67.0543441772461 782.6558227539062 68.04944610595703 11723.62109375 68.08111572265625 205.1852569580078 68.10285186767578 39.06428527832031 68.21466064453125 35.025001525878906 68.251708984375 22.125 68.34685516357422 30.094696044921875 68.65416717529297 27.0 68.66566467285156 26.076923370361328 69.03400421142578 5991.68408203125 69.08642578125 42.31529998779297 69.2120361328125 24.5 70.02883911132812 881.6101684570312 70.06463623046875 1715.47216796875 70.1004638671875 40.025001525878906 70.13520050048828 33.07621765136719 70.1876220703125 31.390625 70.22288513183594 53.6326904296875 70.45877075195312 45.01250076293945 71.0123062133789 329.0401306152344 71.048828125 526.2130126953125 71.0584716796875 297.0123596191406 71.08846282958984 43.818180084228516 71.2066650390625 50.79166793823242 72.04443359375 12728.0029296875 72.09715270996094 61.02631759643555 72.64047241210938 60.69422912597656 73.02835845947266 1686.04296875 73.0639877319336 114.61228942871094 74.0313720703125 257.2401428222656 74.04669189453125 269.99176025390625 74.06029510498047 1973.14794921875 77.0382080078125 158.0358123779297 78.03351593017578 439.7055969238281 79.05418395996094 490.23309326171875 79.66912841796875 24.185606002807617 80.0494384765625 17640.333984375 80.14088439941406 27.08333396911621 80.27139282226562 30.941177368164062 80.35693359375 27.285715103149414 80.46456146240234 42.55172348022461 81.0334701538086 4358.12060546875 81.05123138427734 789.2669067382812 81.18257904052734 21.015625 81.24225616455078 23.14285659790039 81.3697280883789 25.005952835083008 82.0291748046875 1761.3782958984375 82.05005645751953 299.1758117675781 82.06488800048828 2571.54443359375 82.10238647460938 35.125 82.18669891357422 26.26630401611328 82.26526641845703 35.44643020629883 82.56505584716797 22.30681800842285 83.04922485351562 794.9234619140625 83.05994415283203 2217.5185546875 83.82227325439453 25.066667556762695 84.04417419433594 25693.224609375 84.08134460449219 694.3004760742188 84.10245513916016 148.11386108398438 84.1215591430664 21.125 84.32208251953125 57.10714340209961 84.3596420288086 39.048912048339844 84.53337097167969 98.69491577148438 84.6606674194336 32.14285659790039 85.02860260009766 7439.09326171875 85.0472412109375 1150.2041015625 85.075927734375 347.7205505371094 85.16944122314453 32.51524353027344 85.32694244384766 61.56903076171875 85.35440063476562 21.34722137451172 86.0602035522461 3408.0537109375 86.10382843017578 40.53125 86.3758544921875 24.446428298950195 86.40447998046875 40.202274322509766 87.0302963256836 276.4408874511719 87.04350280761719 732.4806518554688 87.2654800415039 43.150001525878906 87.30101776123047 33.06578826904297 88.03885650634766 598.826416015625 88.0751724243164 259.139892578125 88.60459899902344 22.480262756347656 90.05523681640625 1294.644775390625 91.05313110351562 120.01515197753906 92.03426361083984 75.78260803222656 92.04938507080078 992.143798828125 93.03309631347656 49.125 93.05535125732422 103.293701171875 93.58124542236328 24.245689392089844 94.0293197631836 310.44537353515625 94.06535339355469 1292.61279296875 94.10236358642578 37.00265884399414 95.04873657226562 408.94879150390625 95.06995391845703 295.78460693359375 96.0440444946289 15300.8076171875 96.08113098144531 431.1096496582031 96.10708618164062 53.034339904785156 96.14112854003906 63.11637878417969 96.28504943847656 84.78463745117188 96.33081817626953 44.23214340209961 96.45121765136719 34.469444274902344 96.54076385498047 29.671297073364258 97.02835083007812 13446.462890625 97.07637786865234 2768.99267578125 97.11396789550781 106.67222595214844 97.2033462524414 27.5625 97.2645492553711 61.34722137451172 97.29279327392578 47.77806091308594 97.30574798583984 32.0065803527832 97.3229751586914 21.657608032226562 97.54559326171875 21.005434036254883 97.89643859863281 216.875 98.03687286376953 456.34344482421875 98.0597915649414 17321.716796875 98.13510131835938 83.97626495361328 98.20121002197266 114.13043212890625 98.27729797363281 51.75 98.31121826171875 45.92045593261719 98.3221435546875 48.02743911743164 98.57616424560547 83.0625 98.68065643310547 22.68145179748535 99.04421997070312 2215.41015625 99.0545425415039 1412.33251953125 99.09846496582031 48.0025520324707 99.29888916015625 63.10745620727539 100.03974151611328 1554.1700439453125 100.07567596435547 293.4891357421875 100.1521224975586 58.001983642578125 100.48976135253906 26.875 101.04216766357422 70.55555725097656 101.9084701538086 70.7202377319336 102.01647186279297 118.02042388916016 102.03446960449219 169.24334716796875 102.05485534667969 23234.326171875 102.0947036743164 384.2179870605469 102.15058898925781 41.67856979370117 102.2237777709961 60.48063278198242 102.25149536132812 41.40909194946289 102.27658081054688 54.2578125 102.31110382080078 34.390625 102.42584991455078 67.20500183105469 102.66119384765625 35.90131759643555 103.03834533691406 1280.7122802734375 103.05789184570312 743.1798095703125 104.05091094970703 75.65681457519531 104.28063201904297 21.875 105.06939697265625 85.2271499633789 106.02792358398438 220.09939575195312 106.06529235839844 375.8822021484375 106.81036376953125 53.50893020629883 107.05992126464844 1451.1485595703125 108.04412841796875 13924.92578125 108.08426666259766 287.4016418457031 108.10926818847656 50.532894134521484 108.1567153930664 68.07691955566406 108.20687866210938 21.875 108.37300109863281 37.431121826171875 108.39107513427734 24.089284896850586 108.46334075927734 24.2450008392334 108.6271743774414 38.33796310424805 108.93811798095703 23.02083396911621 109.02796936035156 608.8776245117188 109.0509033203125 764.0855102539062 109.07566833496094 2826.298095703125 109.2055435180664 24.446428298950195 109.35848999023438 39.61538314819336 110.03652954101562 58.963233947753906 110.05979919433594 9719.5595703125 110.12603759765625 53.20930099487305 110.1916732788086 28.160715103149414 110.22071838378906 25.007352828979492 110.31864929199219 61.925926208496094 110.62152099609375 27.20833396911621 110.74900817871094 41.578948974609375 111.04422760009766 1295.9798583984375 111.06201934814453 574.1875 112.0387954711914 966.0791015625 112.07508850097656 412.55621337890625 113.07093048095703 478.2947692871094 114.05469512939453 25644.025390625 114.09589385986328 370.0249938964844 114.13478088378906 59.11680221557617 114.30980682373047 94.78253173828125 114.43409729003906 31.265625 114.5233383178711 46.002777099609375 114.56459045410156 32.24038314819336 115.03877258300781 3835.775146484375 115.05621337890625 924.2050170898438 115.0841064453125 351.7533874511719 115.34307098388672 84.73469543457031 116.0377197265625 24.245689392089844 116.06987762451172 1331.3135986328125 117.0543441772461 475.379150390625 117.07032012939453 164.80490112304688 118.04888916015625 158.3672332763672 118.06330108642578 381.3017883300781 119.0581283569336 353.13037109375 119.07169342041016 160.54017639160156 119.83911895751953 164.0625 120.04313659667969 379.2330627441406 120.06623840332031 1902.5709228515625 120.59088897705078 101.05482482910156 121.03042602539062 259.2231750488281 121.05160522460938 405.2542419433594 121.0751724243164 1484.78515625 121.4059829711914 27.18181800842285 122.05974578857422 3485.840087890625 122.10707092285156 48.028846740722656 122.41197204589844 66.6436538696289 123.04533386230469 691.207763671875 124.03964233398438 1109.2088623046875 124.0743637084961 729.1860961914062 124.12612915039062 21.058822631835938 124.23060607910156 41.0 124.91669464111328 130.01461791992188 124.98998260498047 70.26535034179688 125.05162811279297 291.0006103515625 125.0706787109375 47970.359375 125.24560546875 41.625 125.26573181152344 123.07972717285156 125.29080200195312 77.5 125.30905151367188 49.07621765136719 125.33132934570312 87.6816635131836 125.3514175415039 51.52016067504883 125.43878936767578 81.41500091552734 125.44890594482422 75.001708984375 125.48519134521484 22.450000762939453 125.51139068603516 46.84375 125.57353210449219 40.761905670166016 125.7273178100586 36.40833282470703 126.00177001953125 22.285715103149414 126.05471801757812 26196.431640625 126.15774536132812 48.29999923706055 126.21573638916016 21.929113388061523 126.23960876464844 29.32661247253418 126.57156372070312 25.066667556762695 126.70443725585938 32.100608825683594 127.03868103027344 3014.492919921875 127.05810546875 771.28125 127.32576751708984 37.67045593261719 127.57984161376953 21.625 127.72663116455078 65.1822280883789 128.0702667236328 6741.615234375 128.1129608154297 118.36029052734375 128.31228637695312 53.86206817626953 128.32571411132812 67.26087188720703 128.33963012695312 42.0844612121582 128.4525604248047 43.04166793823242 128.72581481933594 26.14285659790039 128.82748413085938 60.16666793823242 129.05368041992188 519.8776245117188 129.07510375976562 339.2232971191406 130.0489959716797 549.1400756835938 130.0626220703125 348.765625 130.08482360839844 195.44642639160156 131.05921936035156 296.4696960449219 132.04074096679688 53.00893020629883 132.06552124023438 3267.53662109375 132.14895629882812 33.40833282470703 132.22764587402344 38.1655387878418 132.5633087158203 56.040584564208984 133.04917907714844 1671.40771484375 133.0738983154297 532.8223266601562 133.46571350097656 57.14958953857422 133.9261474609375 25.190475463867188 134.05955505371094 1269.4447021484375 134.17942810058594 54.02777862548828 135.0550079345703 853.8282470703125 135.09091186523438 182.57827758789062 135.3564910888672 82.09642791748047 135.8579559326172 35.20000076293945 136.0379638671875 500.8195495605469 136.07485961914062 459.2115173339844 137.04603576660156 165.8898162841797 137.07069396972656 1182.3360595703125 137.11619567871094 33.60499954223633 137.37274169921875 26.785715103149414 137.75930786132812 87.44499969482422 138.0540771484375 4663.046875 138.10220336914062 125.80541229248047 138.59146118164062 40.0 138.6039581298828 69.95921325683594 138.78775024414062 38.04545593261719 138.9761199951172 53.283451080322266 139.04513549804688 348.0987854003906 139.05877685546875 246.61000061035156 139.08628845214844 1011.2681274414062 139.61566162109375 45.328948974609375 140.06973266601562 1894.7373046875 140.11618041992188 25.48214340209961 140.22738647460938 51.0025520324707 140.47213745117188 40.5 141.00592041015625 42.224998474121094 141.06585693359375 1453.7650146484375 141.10142517089844 189.02499389648438 141.13348388671875 43.414215087890625 141.14874267578125 38.016666412353516 142.04959106445312 646.0054931640625 142.0810089111328 455.23760986328125 142.17080688476562 36.00925827026367 143.03407287597656 164.58026123046875 143.05572509765625 233.2911376953125 143.08096313476562 7648.1806640625 143.14549255371094 37.032142639160156 143.22142028808594 26.04166603088379 143.543701171875 67.24807739257812 143.9711456298828 63.0024528503418 144.06536865234375 26632.48828125 144.1653594970703 56.13224792480469 144.2115478515625 42.06578826904297 144.2738494873047 98.06428527832031 144.37037658691406 28.81818199157715 144.49087524414062 77.08999633789062 145.02926635742188 30.090909957885742 145.06967163085938 734.2907104492188 145.0968780517578 18717.99609375 145.1525115966797 269.0060119628906 145.17172241210938 54.2545166015625 145.20408630371094 94.9453125 145.23777770996094 89.20191955566406 145.3351287841797 28.1875 145.3730926513672 47.349491119384766 145.4449462890625 43.532894134521484 145.51165771484375 74.3951644897461 145.7582550048828 99.6706314086914 145.99549865722656 27.75 146.05905151367188 705.7990112304688 146.08145141601562 4931.68408203125 146.32618713378906 33.0625 146.68185424804688 21.00657844543457 146.7439422607422 39.245689392089844 147.04432678222656 441.09039306640625 147.09225463867188 162.44476318359375 148.0376739501953 157.24807739257812 148.07427978515625 1141.159423828125 148.4612274169922 32.245689392089844 148.60585021972656 30.14244270324707 149.04701232910156 196.4569549560547 149.0704803466797 922.5027465820312 149.10691833496094 276.802490234375 149.35606384277344 32.010868072509766 149.6047821044922 68.84121704101562 150.05445861816406 3170.78564453125 150.09085083007812 296.6006774902344 150.24124145507812 54.778846740722656 150.30337524414062 116.43269348144531 150.3720703125 28.211206436157227 150.50729370117188 92.20999908447266 150.8772735595703 22.11842155456543 151.05868530273438 348.00067138671875 151.0863494873047 913.6483154296875 152.06959533691406 626.6753540039062 153.06544494628906 364.572998046875 153.10020446777344 74.50892639160156 154.00914001464844 132.0008544921875 154.04721069335938 172.95191955566406 154.08255004882812 207.0321502685547 154.34039306640625 26.56818199157715 155.08157348632812 869.6735229492188 156.0653839111328 4421.05517578125 156.11399841308594 57.44444274902344 156.283935546875 25.003570556640625 156.39596557617188 88.16604614257812 156.77035522460938 23.29166603088379 157.0680694580078 198.00543212890625 157.09669494628906 1101.4879150390625 158.06105041503906 259.673828125 158.0802764892578 1438.600341796875 158.50579833984375 22.071428298950195 159.06895446777344 250.79063415527344 160.0597686767578 326.9135437011719 160.94593811035156 69.01424407958984 161.04075622558594 143.68515014648438 161.0634002685547 122.01667022705078 161.09190368652344 69760.09375 161.3603973388672 51.14814758300781 161.38282775878906 151.39682006835938 161.4091339111328 50.68716812133789 161.427734375 41.01628875732422 161.4403533935547 56.45833206176758 161.47071838378906 179.14285278320312 161.4893035888672 138.09278869628906 161.51475524902344 68.125 161.55935668945312 28.14285659790039 161.70004272460938 60.0 161.71188354492188 39.75 161.77952575683594 31.003047943115234 161.8510284423828 71.73529052734375 161.89288330078125 58.25 162.0054931640625 84.0804443359375 162.05477905273438 654.353515625 162.07667541503906 12663.705078125 162.1453857421875 98.58726501464844 162.2303466796875 29.034090042114258 162.2905731201172 32.20500183105469 162.38540649414062 77.68170166015625 162.44827270507812 22.111841201782227 162.6134490966797 26.04166603088379 162.65081787109375 46.875 162.68283081054688 66.8977279663086 163.06240844726562 246.80357360839844 163.10772705078125 203222.015625 163.48915100097656 32.21428680419922 163.5135498046875 155.9983673095703 163.55657958984375 94.20719146728516 163.587646484375 87.14881134033203 163.62420654296875 58.14285659790039 163.67491149902344 71.80999755859375 163.73878479003906 23.57065200805664 163.80996704101562 52.30769348144531 163.87135314941406 52.778846740722656 163.96437072753906 65.56818389892578 163.99659729003906 43.568180084228516 164.0702362060547 688.3270263671875 164.11082458496094 5037.04638671875 164.18482971191406 78.18408966064453 164.24009704589844 26.015625 164.28846740722656 28.08333396911621 164.30621337890625 23.720237731933594 164.46713256835938 47.09423065185547 164.58294677734375 27.515243530273438 164.71585083007812 25.532894134521484 164.7611846923828 65.0227279663086 164.850341796875 23.640151977539062 165.05218505859375 57.22245788574219 165.07725524902344 225.10403442382812 165.10174560546875 39.45454406738281 165.1982879638672 35.05263137817383 166.04733276367188 45.206634521484375 166.07151794433594 263.73779296875 166.08609008789062 300.57501220703125 166.21908569335938 131.5616455078125 167.08106994628906 15230.58984375 167.13584899902344 125.13031768798828 167.16342163085938 44.00166702270508 167.31610107421875 67.29629516601562 167.39695739746094 38.33611297607422 167.46949768066406 64.00694274902344 167.4883270263672 74.11428833007812 168.0651092529297 2021.8641357421875 168.0814971923828 894.0247802734375 168.14358520507812 22.30681800842285 168.22183227539062 90.0434799194336 168.6949920654297 45.603572845458984 168.88699340820312 88.18382263183594 169.05911254882812 255.0678253173828 169.07415771484375 171.34963989257812 169.0970001220703 4906.11328125 169.63729858398438 29.003787994384766 170.04376220703125 51.45000076293945 170.0802459716797 582.1929321289062 170.38430786132812 32.019229888916016 171.0756378173828 964.8126831054688 171.111328125 121.37950134277344 172.05947875976562 121.78125 172.09786987304688 420.09222412109375 173.0702667236328 204.81971740722656 173.09234619140625 5107.19775390625 173.1441192626953 69.26667022705078 173.1649932861328 38.349491119384766 173.4804229736328 71.01786041259766 173.69097900390625 30.094696044921875 174.0554656982422 108.48148345947266 174.07618713378906 931.025634765625 174.89425659179688 115.93103790283203 175.0857696533203 793.0274658203125 175.1070098876953 1619.182861328125 175.1561737060547 24.375 175.76095581054688 24.907258987426758 176.0704803466797 1312.103515625 176.1074676513672 286.3844909667969 176.50779724121094 27.852272033691406 176.77076721191406 40.08088302612305 177.07554626464844 21.1875 177.10133361816406 292.3337707519531 178.04946899414062 267.5760192871094 178.0864715576172 747.6516723632812 178.1863250732422 23.765625 179.08193969726562 695.0003662109375 179.57493591308594 24.047618865966797 180.06532287597656 1717.9678955078125 180.25962829589844 26.450000762939453 180.29086303710938 35.55769348144531 180.7074737548828 22.367647171020508 181.0496826171875 117.84091186523438 181.06492614746094 77.13306427001953 181.0996856689453 201.467529296875 182.0802001953125 799.8855590820312 182.09548950195312 380.12274169921875 183.0755157470703 250.5952606201172 184.05950927734375 205.0833282470703 184.09371948242188 267.64013671875 185.0476531982422 66.67361450195312 185.070068359375 191.0 185.0912322998047 8612.7919921875 185.14637756347656 77.11764526367188 185.3251953125 26.071428298950195 185.66107177734375 33.25 185.9261932373047 32.344512939453125 186.052978515625 421.6593017578125 186.0753173828125 2212.700927734375 186.09738159179688 1094.0841064453125 187.1074676513672 21327.05859375 187.16265869140625 258.0572509765625 187.31118774414062 22.0 187.38743591308594 33.44047546386719 187.56776428222656 27.399999618530273 187.61170959472656 48.0 187.66781616210938 50.32500076293945 187.703125 29.625 187.90097045898438 35.04999923706055 188.06979370117188 368.67938232421875 188.0917205810547 1169.00146484375 188.11013793945312 1588.04931640625 188.31080627441406 46.96154022216797 188.3400421142578 30.003787994384766 188.40573120117188 41.061275482177734 188.4871063232422 35.842105865478516 189.07203674316406 49.80356979370117 189.1219940185547 388.577880859375 189.99639892578125 46.00186538696289 190.08973693847656 336.0007629394531 191.08145141601562 645.681640625 191.63206481933594 31.00265884399414 192.06561279296875 1833.540283203125 192.1178436279297 40.42856979370117 192.14976501464844 26.480262756347656 193.0694580078125 266.0323791503906 193.09722900390625 275.6224060058594 193.213623046875 32.45454406738281 193.4490203857422 58.280303955078125 194.0811309814453 3285.937255859375 194.1446990966797 39.0025520324707 195.0819549560547 195.9190216064453 195.1106414794922 217.6163330078125 195.71543884277344 31.197580337524414 196.05653381347656 75.0250015258789 196.08282470703125 142.265625 196.0972900390625 331.4306640625 197.04953002929688 93.32499694824219 197.0897674560547 456.8504333496094 198.076416015625 1371.75439453125 199.08343505859375 408.2034606933594 199.10726928710938 642.380126953125 200.06959533691406 155.38461303710938 200.09056091308594 614.7770385742188 201.0688934326172 160.6883087158203 201.10377502441406 49.22282791137695 201.26963806152344 31.640625 201.99871826171875 85.87999725341797 202.0947723388672 71.7409439086914 202.12059020996094 386.0588684082031 203.08216857910156 885.5753173828125 203.10255432128906 31043.251953125 203.26341247558594 87.14974975585938 203.3768768310547 57.46106719970703 203.4319305419922 130.42662048339844 203.45066833496094 97.75 203.51101684570312 27.047618865966797 203.63232421875 25.785715103149414 203.7913818359375 57.90086364746094 203.8828125 69.39130401611328 203.99832153320312 25.204999923706055 204.06532287597656 403.6639404296875 204.08563232421875 185.04244995117188 204.10610961914062 701.2872924804688 204.1317596435547 227.5255584716797 204.4879150390625 40.04999923706055 204.63690185546875 33.33333206176758 205.05055236816406 37.65760803222656 205.0692138671875 44.004310607910156 205.09600830078125 716.7224731445312 205.117431640625 3169.75390625 205.4573516845703 32.26041793823242 205.59449768066406 36.025001525878906 205.87474060058594 70.08401489257812 206.08071899414062 870.0892333984375 206.11822509765625 146.0044708251953 206.56890869140625 30.15705108642578 207.08534240722656 232.0208282470703 208.1050262451172 154.48007202148438 208.25393676757812 23.007352828979492 209.09042358398438 393.5714416503906 210.04241943359375 95.6419906616211 210.07516479492188 2447.30615234375 210.1226043701172 93.0250015258789 210.15350341796875 140.85043334960938 210.2364501953125 24.36111068725586 211.08065795898438 539.6670532226562 211.10716247558594 2309.230712890625 211.41552734375 42.375 211.7564697265625 34.04999923706055 212.0597686767578 51.0452880859375 212.09107971191406 1078.6641845703125 213.09373474121094 125.98651123046875 213.1234130859375 460.0083312988281 213.38160705566406 56.00757598876953 214.0675506591797 57.44643020629883 215.10279846191406 550.2160034179688 216.0862274169922 810.9508666992188 217.02706909179688 61.793479919433594 217.09622192382812 95.3828125 217.11541748046875 95.51519012451172 218.02781677246094 121.00367736816406 218.0821990966797 490.3272399902344 219.03411865234375 23.04166603088379 219.10520935058594 85.5308837890625 221.0912628173828 698.937744140625 222.07603454589844 907.4600219726562 222.10121154785156 205.88235473632812 223.10789489746094 3339.0 223.2944793701172 34.31578826904297 223.94317626953125 32.414215087890625 224.03150939941406 31.004310607910156 224.09161376953125 919.0 224.11016845703125 472.12274169921875 225.09262084960938 61.19852828979492 225.1208953857422 350.1878662109375 227.10107421875 752.4340209960938 228.08602905273438 3739.34619140625 228.13345336914062 1120.760009765625 228.18814086914062 69.55709838867188 228.33995056152344 45.71428680419922 228.38194274902344 35.20000076293945 228.6759033203125 38.2717399597168 229.02786254882812 24.328947067260742 229.09085083007812 268.36505126953125 229.1182098388672 5221.95361328125 229.19020080566406 48.761905670166016 229.4379425048828 56.00609588623047 229.4786834716797 22.961956024169922 230.1199188232422 107.4000015258789 231.17227172851562 46.28571319580078 233.08712768554688 59.7621955871582 234.0751495361328 111.22272491455078 234.0916748046875 222.95237731933594 234.25523376464844 72.84091186523438 234.44219970703125 72.668212890625 235.10696411132812 424.80474853515625 235.3773956298828 25.005434036254883 236.09243774414062 210.02069091796875 237.12306213378906 248.0112762451172 237.90896606445312 139.40499877929688 238.11935424804688 119.57128143310547 239.102294921875 5072.72314453125 239.16790771484375 32.75 239.2932586669922 26.197580337524414 239.92434692382812 191.6826934814453 240.08790588378906 2041.9700927734375 240.29342651367188 23.43214225769043 240.35263061523438 38.89285659790039 240.44467163085938 23.14285659790039 241.11825561523438 23554.029296875 241.1891326904297 318.6763916015625 241.30645751953125 30.003047943115234 241.32803344726562 45.11556625366211 241.3557586669922 55.27364730834961 241.3831024169922 23.69444465637207 241.4243621826172 21.322368621826172 241.4481201171875 62.18408966064453 241.5062713623047 68.1689224243164 241.58741760253906 47.969261169433594 241.6790008544922 28.52155113220215 241.72479248046875 55.875 241.77420043945312 40.90086364746094 241.79757690429688 21.25 242.1215362548828 1313.189453125 243.13235473632812 176.0718536376953 244.3754425048828 56.755435943603516 244.66978454589844 27.449073791503906 245.1108856201172 166.52000427246094 246.09445190429688 545.9481201171875 246.979248046875 67.43214416503906 247.10560607910156 263.93951416015625 247.13465881347656 50.00463104248047 247.89390563964844 34.00265884399414 248.11224365234375 99.2326889038086 251.10350036621094 368.4545593261719 252.08853149414062 82.0 252.1343231201172 121.79041290283203 253.02598571777344 88.2750015258789 253.11810302734375 2655.768310546875 253.18765258789062 25.066177368164062 254.09942626953125 271.1499938964844 255.56271362304688 23.053571701049805 256.12701416015625 384.3573303222656 257.0676574707031 77.61280822753906 257.1129455566406 7395.6953125 257.2868347167969 42.08695602416992 257.4285888671875 41.0 257.46478271484375 32.16666793823242 257.6654357910156 23.004032135009766 257.6916198730469 36.1136360168457 257.7101135253906 46.86206817626953 258.0970458984375 3868.8759765625 258.265869140625 41.33333206176758 258.4442443847656 63.76388931274414 258.5133361816406 56.0703125 258.8113708496094 40.61249923706055 259.1026916503906 455.30615234375 259.12890625 17058.412109375 259.2633972167969 47.011905670166016 259.28515625 27.04166603088379 259.4913330078125 42.026161193847656 259.5304870605469 23.140625 259.7159118652344 24.125 259.73193359375 28.0625 259.8341064453125 87.68421173095703 259.9505615234375 36.6363639831543 260.13031005859375 1176.690185546875 260.20782470703125 25.038793563842773 265.1181945800781 871.3877563476562 266.116455078125 156.27162170410156 268.1261291503906 56.040000915527344 269.1147155761719 199.96697998046875 269.1451110839844 67.1953125 269.5946350097656 23.164474487304688 270.09979248046875 73.0 270.1431884765625 66.248291015625 271.12896728515625 3204.111572265625 271.26239013671875 22.0 272.1101989746094 190.4845428466797 272.14959716796875 133.01092529296875 273.1152038574219 144.95065307617188 273.14581298828125 275.02215576171875 275.0730895996094 74.11376190185547 275.1233215332031 3085.556640625 276.108642578125 1507.97900390625 277.1396789550781 4924.89111328125 277.4670104980469 27.899999618530273 277.7573547363281 81.1212158203125 277.84228515625 32.36111068725586 278.1441650390625 282.6710510253906 278.1688232421875 138.0010528564453 278.2850036621094 36.02777862548828 278.5701904296875 27.160715103149414 279.9318542480469 85.1822280883789 280.1265563964844 124.08064270019531 281.11614990234375 352.28082275390625 282.141845703125 133.39239501953125 283.1278991699219 1310.1778564453125 283.45819091796875 21.04166603088379 287.1226501464844 604.2296142578125 288.15069580078125 558.5086669921875 289.1395263671875 12775.119140625 289.25640869140625 33.818180084228516 289.2884826660156 184.10061645507812 289.4259338378906 58.290000915527344 289.4737243652344 30.034090042114258 289.4930114746094 29.81818199157715 289.52960205078125 42.0466423034668 289.55572509765625 21.920454025268555 289.6123046875 23.045000076293945 289.7193603515625 46.18408966064453 289.79571533203125 39.68597412109375 289.9270935058594 58.225807189941406 290.142333984375 562.6981201171875 290.3455505371094 25.094696044921875 290.5146789550781 22.285715103149414 292.1593933105469 79.05123138427734 293.1351623535156 1634.0111083984375 294.1193542480469 334.37359619140625 294.1360168457031 238.27272033691406 295.0983581542969 32.028846740722656 295.14984130859375 3602.489990234375 295.2784118652344 26.014705657958984 295.9798889160156 25.450000762939453 296.15203857421875 442.8984680175781 298.1136474609375 29.337963104248047 300.1296081542969 288.8626708984375 300.1525573730469 202.0400390625 301.1380920410156 610.5032958984375 305.1333312988281 146.65650939941406 306.1639709472656 144.29629516601562 307.1498107910156 7121.05078125 307.2466125488281 37.73724365234375 307.4596862792969 38.00893020629883 307.552001953125 37.33333206176758 308.15460205078125 384.0003967285156 308.5566711425781 21.600000381469727 308.8861389160156 52.38527297973633 313.13946533203125 74.44512176513672 318.1420593261719 327.8912048339844 318.17791748046875 28.200000762939453 319.1186218261719 33.17499923706055 319.14849853515625 1149.661865234375 319.3978271484375 50.18939208984375 319.5847473144531 31.78716278076172 319.83746337890625 158.7608642578125 319.9690246582031 23.45833396911621 320.155517578125 73.0029067993164 323.8565673828125 84.02381134033203 324.15557861328125 199.49703979492188 324.1753234863281 363.5625 325.0629577636719 69.3125 325.13873291015625 115.10437774658203 331.1438903808594 164.80357360839844 332.5061340332031 27.174999237060547 337.138671875 241.0102081298828 338.1287841796875 78.01786041259766 339.96875 40.65406799316406 342.54876708984375 28.016666412353516 343.1517028808594 54.0 344.2395935058594 26.285715103149414 348.1761474609375 221.2743377685547 349.16015625 354.18939208984375 354.1661376953125 81.36111450195312 355.14996337890625 352.8374328613281 356.154541015625 306.67364501953125 360.1459045410156 35.810001373291016 366.16497802734375 169.7792205810547 367.1476745605469 355.0553894042969 372.1291198730469 96.21488952636719 379.997314453125 40.05555725097656 383.1444091796875 91.24889373779297 384.1736755371094 50.595340728759766 385.1600341796875 843.0067138671875 402.18646240234375 138.88888549804688 403.169921875 302.18701171875 403.3674621582031 27.005434036254883 403.7580871582031 22.090909957885742 407.99072265625 69.06428527832031 410.1986389160156 62.16071319580078 410.9700622558594 35.04166793823242 413.310546875 68.27435302734375 414.2073669433594 61.0 417.8336486816406 41.24038314819336 418.1795349121094 87.72889709472656 420.1954040527344 193.28408813476562 421.1378479003906 104.44444274902344 421.1812438964844 441.5963134765625 424.718505859375 21.235294342041016 429.9716491699219 24.16666603088379 439.19378662109375 410.0592041015625 440.1929626464844 34.06666564941406 444.1877136230469 72.30813598632812 445.7613220214844 232.8101806640625 448.8885498046875 48.782405853271484 454.90234375 50.52016067504883 465.94268798828125 56.28571319580078 478.1025695800781 42.414215087890625 486.9623718261719 60.04521179199219 504.2318420410156 156.16554260253906 512.1885986328125 54.635562896728516 529.2634887695312 50.19047546386719 533.9814453125 37.56402587890625 543.7437744140625 57.0 545.2402954101562 42.07267379760742 557.7360229492188 47.04521179199219 565.9390869140625 21.0 592.2781372070312 34.22368240356445 607.6927490234375 61.96052551269531 617.8486328125 26.115739822387695 634.2578735351562 44.6371955871582 640.1072998046875 49.056819915771484 675.9029541015625 27.132352828979492 691.8771362304688 23.337963104248047 717.4451904296875 37.0229606628418 757.6337890625 36.019737243652344 759.7940673828125 35.16447448730469 824.54052734375 30.08445930480957 825.2321166992188 25.204999923706055 836.022705078125 30.024999618530273 842.3829956054688 54.29656982421875 863.3305053710938 55.75 890.2662963867188 30.25 896.9349365234375 48.14285659790039 906.0087280273438 23.003570556640625 974.375244140625 37.22222137451172 986.827392578125 46.474998474121094 999.0809936523438 22.090909957885742 1003.7400512695312 45.36000061035156 1029.7130126953125 50.344512939453125 1040.1524658203125 38.08012771606445 1049.8929443359375 60.030487060546875 1054.692138671875 101.24615478515625 1095.2086181640625 43.875 1126.0291748046875 54.48147964477539 1139.582763671875 63.32500076293945 1157.14892578125 23.81818199157715 1242.6610107421875 42.17307662963867 1314.205078125 35.573978424072266 1324.9775390625 38.16666793823242 1375.259521484375 28.68055534362793 1406.8746337890625 91.95063018798828 1431.4512939453125 23.322368621826172 1432.37353515625 56.36000061035156 1446.6483154296875 46.599998474121094 1460.272705078125 22.375 1479.430419921875 43.52083206176758 1493.5848388671875 51.04807662963867 1495.82666015625 42.003379821777344 1501.2440185546875 21.071428298950195 1533.19140625 56.519229888916016 1556.050537109375 34.1655387878418 1572.5682373046875 56.69551467895508 1609.2476806640625 39.00925827026367 1610.794189453125 40.02206039428711 1622.3563232421875 62.09760284423828 1623.4178466796875 33.281978607177734 1627.0045166015625 28.016666412353516 1630.080322265625 39.230770111083984 1684.7923583984375 35.21542739868164 1700.747314453125 34.360294342041016 1720.6455078125 33.34722137451172 1741.9786376953125 26.339284896850586 1779.5755615234375 25.68055534362793 1786.687255859375 28.685976028442383 1817.525146484375 24.115739822387695 1852.3326416015625 22.04166603088379 1856.3389892578125 29.094696044921875 1867.7803955078125 31.0 1869.589111328125 36.73611068725586 1891.6641845703125 24.25 1945.1212158203125 22.44444465637207 1950.548828125 39.26041793823242 1987.6685791015625 55.44230651855469 1998.1004638671875 24.090909957885742 END IONS BEGIN IONS TITLE=CCMSLIB00005723257 PEPMASS=941.54539 CHARGE=2 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=20.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_C2_Gramicidin.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Gramicidin_20eV [M+2H]2+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=C[C@@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC7=CNC8=CC=CC=C87)C(=O)NCCO)NC(=O)CNC(=O)[C@H](C(C)C)NC=O INCHI=InChI=1S/C99H140N20O17/c1-51(2)37-73(109-86(123)59(17)107-81(122)49-105-96(133)82(55(9)10)106-50-121)89(126)108-60(18)87(124)117-84(57(13)14)98(135)119-85(58(15)16)99(136)118-83(56(11)12)97(134)116-80(44-64-48-104-72-34-26-22-30-68(64)72)95(132)112-76(40-54(7)8)92(129)115-79(43-63-47-103-71-33-25-21-29-67(63)71)94(131)111-75(39-53(5)6)91(128)114-78(42-62-46-102-70-32-24-20-28-66(62)70)93(130)110-74(38-52(3)4)90(127)113-77(88(125)100-35-36-120)41-61-45-101-69-31-23-19-27-65(61)69/h19-34,45-48,50-60,73-80,82-85,101-104,120H,35-44,49H2,1-18H3,(H,100,125)(H,105,133)(H,106,121)(H,107,122)(H,108,126)(H,109,123)(H,110,130)(H,111,131)(H,112,132)(H,113,127)(H,114,128)(H,115,129)(H,116,134)(H,117,124)(H,118,136)(H,119,135)/t59-,60-,73+,74+,75+,76+,77-,78-,79-,80-,82-,83-,84+,85-/m0/s1 INCHIAUX=ZWCXYZRRTRDGQE-SORVKSEFSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723257 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723257 SCANS=334292 52.005226135253906 107.37281036376953 52.967926025390625 148.02215576171875 57.47247314453125 60.938289642333984 62.06021499633789 898.6437377929688 62.21821212768555 19.720237731933594 62.253597259521484 14.399999618530273 72.0797119140625 257.8191833496094 83.0860366821289 115.76596069335938 86.0960464477539 2017.55029296875 86.13065338134766 25.14285659790039 100.07466125488281 167.53302001953125 100.10702514648438 5.017857074737549 102.05597686767578 33.40833282470703 105.13389587402344 24.625 107.12946319580078 16.204545974731445 111.48709106445312 100.33795928955078 117.05500030517578 144.5 123.50552368164062 86.00595092773438 125.56181335449219 36.40691375732422 128.06900024414062 226.4496307373047 128.28802490234375 8.083333015441895 130.06500244140625 1287.3675537109375 130.11253356933594 20.285715103149414 130.81793212890625 102.0250015258789 131.06463623046875 124.31640625 132.08041381835938 542.0698852539062 132.12734985351562 9.160714149475098 134.68263244628906 52.01250076293945 141.10400390625 252.2083282470703 142.06414794921875 156.27906799316406 142.2549591064453 69.56006622314453 144.0801239013672 250.78604125976562 144.1297607421875 5.25 144.3904266357422 6.050000190734863 157.1317901611328 14.208333015441895 159.09146118164062 6681.54931640625 159.27621459960938 18.00657844543457 159.32003784179688 13.183823585510254 159.35379028320312 93.00320434570312 159.51295471191406 16.225000381469727 159.61383056640625 19.045000076293945 159.74574279785156 41.88461685180664 159.89437866210938 47.76861572265625 160.05987548828125 70.49234771728516 160.09515380859375 1591.9732666015625 160.1411895751953 24.100000381469727 168.0800323486328 128.6750030517578 170.060302734375 525.8153686523438 170.38438415527344 17.225000381469727 171.14791870117188 308.6334533691406 172.11546325683594 111.5999984741211 175.81375122070312 28.893518447875977 185.09129333496094 1296.192626953125 185.12774658203125 100.96710205078125 186.0966033935547 73.04166412353516 187.08502197265625 191.55133056640625 188.06906127929688 68.6816635131836 191.50234985351562 6.013888835906982 192.7543487548828 31.265625 199.14239501953125 321.5438232421875 200.14598083496094 118.71591186523438 203.1202392578125 158.01071166992188 226.1552276611328 47.36742401123047 227.1553497314453 157.47169494628906 228.13417053222656 2467.453125 228.19325256347656 21.004629135131836 228.3348846435547 17.322368621826172 228.58145141601562 21.066667556762695 229.1380615234375 210.23011779785156 230.10374450683594 265.6653137207031 230.12965393066406 385.9378967285156 230.20130920410156 6.011363506317139 231.1121368408203 6150.7119140625 231.18087768554688 60.1349983215332 231.3301544189453 10.035714149475098 231.55203247070312 15.053571701049805 231.64804077148438 5.041666507720947 231.80824279785156 14.285714149475098 232.11532592773438 986.4735107421875 232.17324829101562 6.625 233.39453125 12.28125 246.12188720703125 391.9205017089844 247.92547607421875 53.560184478759766 247.94863891601562 38.0 248.13919067382812 25351.83984375 248.27293395996094 21.084339141845703 248.32586669921875 57.37036895751953 248.3534393310547 56.4654541015625 248.3875732421875 49.2195930480957 248.42996215820312 24.053571701049805 248.45750427246094 152.00315856933594 248.60525512695312 46.066490173339844 248.71746826171875 16.0 248.74212646484375 31.174999237060547 248.8297576904297 21.036291122436523 248.85169982910156 25.173076629638672 248.90176391601562 57.814517974853516 249.04342651367188 23.115739822387695 249.07904052734375 11.125 249.14195251464844 4109.9755859375 249.31201171875 11.0 249.37770080566406 39.03628921508789 251.65870666503906 10.0 251.9553680419922 46.9262809753418 253.1547088623047 99.0703125 254.5867462158203 60.00166702270508 254.72515869140625 57.07758712768555 255.1517333984375 51.449466705322266 256.07977294921875 240.05580139160156 256.1291198730469 19047.865234375 256.20611572265625 156.6778106689453 256.2908020019531 13.408333778381348 256.318359375 19.100807189941406 256.34710693359375 89.18868255615234 256.46331787109375 31.022727966308594 256.58526611328125 41.136112213134766 256.62274169921875 14.25 256.6593933105469 9.800000190734863 256.7273254394531 38.125 256.8028869628906 13.78125 256.87261962890625 12.125 256.946044921875 21.005952835083008 257.1318359375 1472.9825439453125 257.20306396484375 6.0 257.44256591796875 13.090909004211426 257.4815673828125 30.01388931274414 257.70806884765625 12.446428298950195 258.13232421875 212.01136779785156 258.15472412109375 148.86473083496094 258.5915832519531 18.211206436157227 261.2115173339844 15.164473533630371 270.17889404296875 357.0643005371094 270.96502685546875 14.28125 272.1761779785156 1606.8448486328125 272.2432556152344 14.321428298950195 272.5279846191406 26.446428298950195 272.8260192871094 33.19047546386719 272.8490295410156 50.75757598876953 273.17694091796875 38.444766998291016 283.12225341796875 109.69823455810547 284.19775390625 587.5601196289062 284.2726745605469 6.4464287757873535 285.1972961425781 305.5522766113281 286.1575622558594 42.280174255371094 298.1490478515625 55.16128921508789 298.2149658203125 83.2249984741211 298.3943786621094 21.028846740722656 300.17010498046875 5662.03564453125 300.2345275878906 42.720237731933594 300.39520263671875 17.173076629638672 300.799560546875 25.91847801208496 301.1732482910156 649.545654296875 301.2206726074219 36.344512939453125 302.7296447753906 24.446428298950195 312.2093505859375 55.03409194946289 312.4941101074219 69.03125 313.1868591308594 202.21951293945312 316.20452880859375 113.13888549804688 317.19976806640625 211.10464477539062 319.20013427734375 81.0173110961914 323.207275390625 91.0 327.2343444824219 118.1408462524414 328.6944274902344 23.57065200805664 329.1839599609375 14.135869979858398 336.8643798828125 50.24007797241211 338.2449645996094 161.00079345703125 340.1653747558594 106.33611297607422 340.399658203125 18.480262756347656 341.2181091308594 1376.593017578125 341.3079528808594 9.284090995788574 341.5134582519531 14.005952835083008 342.21478271484375 95.59402465820312 343.2121276855469 997.0885009765625 344.2132568359375 215.09898376464844 351.2025146484375 247.3045196533203 351.27532958984375 5.375 352.2045593261719 92.00137329101562 355.23492431640625 89.68160247802734 356.18255615234375 136.47500610351562 356.2359313964844 109.1588363647461 356.2728576660156 136.59375 357.1888427734375 158.76470947265625 358.43408203125 26.225000381469727 359.7540588378906 13.75 361.2235107421875 6493.19482421875 361.2961120605469 72.8522720336914 361.3601379394531 20.164474487304688 361.4684753417969 6.75 361.7028503417969 27.45833396911621 361.8203125 102.69190216064453 361.9141845703125 51.003047943115234 362.1007995605469 20.75 362.2254638671875 325.0810852050781 362.41632080078125 20.066177368164062 362.8000183105469 15.482142448425293 363.2329406738281 165.4547576904297 363.31610107421875 5.333333492279053 363.3690185546875 27.002906799316406 366.8802185058594 79.22222137451172 367.5877685546875 7.75 368.5704040527344 30.004310607910156 368.8391418457031 86.36693572998047 369.21307373046875 36144.31640625 369.42510986328125 85.95921325683594 369.5265808105469 45.852272033691406 369.6102294921875 44.32661437988281 369.65814208984375 68.83721160888672 369.7048034667969 33.025001525878906 369.7406005859375 105.45681762695312 369.7914123535156 35.0 369.82476806640625 34.42856979370117 369.9281921386719 56.235294342041016 370.0052185058594 35.47368240356445 370.0451965332031 53.088768005371094 370.0987854003906 20.225000381469727 370.14581298828125 88.17794036865234 370.2161865234375 3542.2060546875 370.3233337402344 29.66666603088379 370.4594421386719 28.387821197509766 370.4861755371094 23.004310607910156 370.51458740234375 37.8125 370.5929260253906 21.29166603088379 370.63323974609375 11.0 370.7003173828125 46.324153900146484 370.79541015625 65.10745239257812 370.947509765625 34.40909194946289 371.1168518066406 31.640625 371.1705322265625 65.85261535644531 371.2171936035156 452.33795166015625 371.2689514160156 11.017857551574707 371.3087463378906 14.090909004211426 373.83062744140625 17.086538314819336 383.2193298339844 113.04017639160156 383.2659912109375 230.55555725097656 384.2606201171875 100.00192260742188 384.6074523925781 17.004310607910156 384.6278076171875 5.0 385.1453857421875 59.419776916503906 385.22711181640625 31.08333396911621 385.2571716308594 187.79605102539062 392.313720703125 12.006579399108887 399.2363586425781 182.1952667236328 400.2388000488281 146.18382263183594 412.25225830078125 40.36890411376953 413.2547302246094 1487.0950927734375 413.33123779296875 17.16666603088379 413.36688232421875 13.024999618530273 413.44622802734375 19.339284896850586 413.5382080078125 32.485294342041016 413.9764404296875 30.520160675048828 414.2594909667969 257.2784423828125 414.45440673828125 72.2750015258789 414.56201171875 19.321428298950195 414.965087890625 16.0 415.98321533203125 21.005952835083008 419.16845703125 76.2469482421875 422.2386169433594 822.8715209960938 422.3116455078125 11.041666984558105 423.2450866699219 116.32142639160156 423.7347106933594 92.86727142333984 424.1968994140625 146.00416564941406 425.2491455078125 116.47169494628906 426.3076171875 209.32070922851562 426.3780517578125 5.160714149475098 427.2060241699219 60.85256576538086 436.9183349609375 101.53125 437.09466552734375 31.076923370361328 438.23150634765625 29.769229888916016 438.45709228515625 12.25 439.1705322265625 47.2976188659668 440.019287109375 5.333333492279053 440.16552734375 256.842529296875 440.2506103515625 40106.1484375 440.5281677246094 40.06377410888672 440.61395263671875 96.29166412353516 440.6506042480469 43.404998779296875 440.7176818847656 46.00961685180664 440.7646484375 43.96195602416992 440.8125915527344 25.941177368164062 440.9001159667969 52.18939208984375 440.95098876953125 46.272727966308594 440.97296142578125 50.003204345703125 441.0167236328125 35.47368240356445 441.09307861328125 20.56818199157715 441.1114196777344 39.165985107421875 441.2538757324219 6516.5927734375 441.34796142578125 37.142242431640625 441.3887939453125 42.50893020629883 441.44500732421875 43.5 441.4909973144531 27.600000381469727 441.5345458984375 30.0 441.5928955078125 28.297618865966797 441.6360778808594 34.004032135009766 441.6963195800781 45.37036895751953 441.7972717285156 37.2976188659668 441.8684387207031 15.125 442.2284240722656 354.3475036621094 442.2543640136719 803.1434936523438 442.366943359375 21.875 443.06005859375 32.20454406738281 443.2216491699219 21.028846740722656 443.2799987792969 89.01323699951172 443.60919189453125 13.027777671813965 444.5584716796875 11.77884578704834 445.7470397949219 16.44444465637207 447.17816162109375 40.449466705322266 447.2002258300781 13.011363983154297 447.3177185058594 13.360294342041016 447.48675537109375 63.33088302612305 448.21905517578125 29.674999237060547 448.6487121582031 79.71697998046875 453.2125244140625 6.25 454.2979736328125 182.00347900390625 454.3381042480469 413.9801940917969 454.6920166015625 12.0 456.25982666015625 128.2903289794922 456.2955017089844 135.2223358154297 458.2578125 178.6420440673828 459.2588806152344 22.322368621826172 466.29547119140625 138.57894897460938 466.346435546875 22.1358699798584 467.2917175292969 15.148809432983398 469.2262878417969 90.16666412353516 469.5074157714844 32.04166793823242 470.2752990722656 218.15383911132812 470.30194091796875 87.00320434570312 471.27105712890625 32.45000076293945 472.22906494140625 54.39612579345703 479.6703796386719 29.399999618530273 482.27978515625 83.2258071899414 482.3371887207031 864.9103393554688 482.6437072753906 33.6875 483.33258056640625 114.48484802246094 484.2900695800781 553.18603515625 484.3271484375 109.20663452148438 484.3869934082031 12.240385055541992 485.281982421875 21.52155113220215 486.117919921875 14.77884578704834 486.24981689453125 3036.142333984375 486.7362976074219 10.0 486.8205871582031 29.004310607910156 487.1122131347656 14.69444465637207 487.2525329589844 429.8040771484375 487.3492431640625 15.004310607910156 488.26312255859375 92.01786041259766 489.0757141113281 8.449999809265137 492.2545166015625 44.25798034667969 493.3092346191406 20.91847801208496 495.4510192871094 16.375 496.96453857421875 42.375 498.3050842285156 467.6872863769531 498.3377990722656 180.64366149902344 498.41314697265625 5.333333492279053 499.3105163574219 250.7916717529297 501.54315185546875 34.36742401123047 501.5718078613281 9.017857551574707 505.56951904296875 26.54166603088379 508.34503173828125 152.01724243164062 511.32391357421875 769.906494140625 511.5735168457031 18.008333206176758 511.915771484375 41.16569900512695 512.1734619140625 11.017857551574707 512.324951171875 109.72889709472656 512.825439453125 45.09782791137695 513.2516479492188 36.45000076293945 513.3141479492188 14.889705657958984 521.3065795898438 820.0151977539062 521.5752563476562 15.027777671813965 522.082763671875 23.64285659790039 522.3065185546875 81.00244903564453 522.7178955078125 31.014705657958984 524.327880859375 40.138511657714844 525.2615966796875 109.00471496582031 526.14208984375 282.658203125 526.3778076171875 98.12963104248047 529.2869873046875 152.125 530.2723388671875 158.68011474609375 531.2003173828125 39.011905670166016 534.3732299804688 7.050000190734863 535.72265625 26.22222137451172 536.34130859375 22.29166603088379 539.3190307617188 51361.3671875 539.697998046875 61.88461685180664 539.7733764648438 24.045454025268555 539.841552734375 59.25 539.8905029296875 121.12266540527344 539.9559936523438 180.45791625976562 540.0387573242188 64.24008178710938 540.0762939453125 36.08333206176758 540.125244140625 62.92307662963867 540.2432861328125 86.44999694824219 540.3212890625 11035.0869140625 540.4212036132812 97.43524169921875 540.5042724609375 102.5999984741211 540.56396484375 81.31791687011719 540.6210327148438 41.583709716796875 540.6446533203125 49.57236862182617 540.7008666992188 45.014705657958984 540.80615234375 27.01041603088379 540.8303833007812 17.004629135131836 540.943359375 15.074999809265137 541.1453857421875 39.61538314819336 541.3252563476562 1085.297607421875 541.3983154296875 9.225000381469727 541.8079223632812 19.125 543.725341796875 26.41666603088379 545.2918090820312 61.72321319580078 547.1658325195312 88.92308044433594 547.3027954101562 5665.9150390625 547.5536499023438 38.45000076293945 547.6351318359375 11.408333778381348 547.7528686523438 40.125 547.78125 21.024999618530273 548.3062744140625 980.3019409179688 548.4002685546875 24.337963104248047 549.2044677734375 9.01388931274414 549.306640625 71.85713958740234 553.2575073242188 67.43902587890625 553.3671264648438 324.5220031738281 554.3103637695312 222.1216278076172 554.376953125 82.68055725097656 555.3276977539062 422.654541015625 555.40673828125 8.017857551574707 556.3322143554688 66.36170196533203 557.183837890625 19.034090042114258 557.31591796875 31.78716278076172 558.3237915039062 41.75 558.9397583007812 28.28928565979004 562.363525390625 262.0096130371094 562.451171875 8.160714149475098 565.30419921875 106.36817932128906 569.34326171875 52.88999938964844 570.9895629882812 17.160715103149414 571.3389892578125 660.046630859375 571.4881591796875 27.066667556762695 571.570556640625 14.074999809265137 572.3429565429688 387.5574035644531 582.3011474609375 68.0 583.40283203125 103.04326629638672 585.273681640625 69.69551086425781 585.3130493164062 818.0975341796875 586.3193359375 130.1826934814453 590.3262329101562 27.190475463867188 592.3787231445312 242.77601623535156 597.375244140625 326.1961669921875 597.426025390625 16.090909957885742 598.2071533203125 13.009614944458008 598.3345336914062 11.183823585510254 598.3734741210938 50.875 599.1514282226562 20.22282600402832 599.3334350585938 3089.685302734375 599.6870727539062 108.94707489013672 599.7623901367188 9.011363983154297 599.9917602539062 23.04166603088379 600.12158203125 48.765625 600.28125 125.13888549804688 600.3357543945312 989.1029052734375 600.4105224609375 53.04941940307617 600.6820678710938 8.449999809265137 600.74072265625 5.017857074737549 600.8790283203125 7.5625 600.968505859375 53.15705108642578 601.0216674804688 32.125 601.3457641601562 229.29112243652344 601.71240234375 13.78125 606.4173583984375 21.024999618530273 609.3101806640625 29.399999618530273 610.35400390625 58.224998474121094 610.3885498046875 723.201904296875 611.15185546875 20.036291122436523 611.2703857421875 55.84011459350586 611.3931884765625 133.3141326904297 611.422119140625 96.75862121582031 612.3421020507812 124.00714111328125 612.39794921875 160.1519775390625 612.8162231445312 14.77884578704834 613.0676879882812 15.0054349899292 615.2190551757812 30.09782600402832 616.3582763671875 32.23214340209961 620.3740844726562 612.5598754882812 621.3836059570312 157.20166015625 623.3832397460938 25.796052932739258 626.4012451171875 84.32415008544922 627.2670288085938 78.56829833984375 627.3107299804688 99.07954406738281 628.2136840820312 44.53779220581055 628.2750244140625 12.125 633.8712768554688 367.75 634.2107543945312 48.88999938964844 634.3771362304688 336.95269775390625 635.3196411132812 12.25 638.1954956054688 184.93080139160156 638.2319946289062 222.52154541015625 638.2979125976562 178.01235961914062 638.3873291015625 49031.42578125 638.783203125 53.61538314819336 638.833740234375 78.87733459472656 638.9251708984375 52.72321319580078 638.98291015625 96.19149017333984 639.0364990234375 38.565216064453125 639.0980224609375 54.84807586669922 639.1491088867188 27.330116271972656 639.18896484375 53.80293655395508 639.2403564453125 95.09091186523438 639.31640625 51.89545440673828 639.3901977539062 11288.9296875 639.5303955078125 53.122169494628906 639.58154296875 42.73611068725586 639.7210083007812 39.265350341796875 639.8261108398438 27.053571701049805 639.92041015625 45.2195930480957 639.971923828125 24.40833282470703 640.0723266601562 10.074999809265137 640.1707153320312 13.083333015441895 640.2210693359375 70.09091186523438 640.2745971679688 72.6326904296875 640.3923950195312 644.104248046875 640.5469360351562 21.26630401611328 640.5834350585938 41.011905670166016 640.70556640625 48.90674591064453 641.1008911132812 9.284090995788574 641.2339477539062 32.0 641.3204345703125 6.0 642.1302490234375 44.84429931640625 642.2089233398438 9.035714149475098 642.3731689453125 391.0274353027344 642.4808349609375 6.025000095367432 643.3622436523438 24.032142639160156 643.5560302734375 7.0625 644.162353515625 43.765625 645.4799194335938 29.13306427001953 650.843994140625 22.45833396911621 652.400146484375 75.3829345703125 653.3797607421875 301.9454345703125 653.5313110351562 6.160714149475098 654.3444213867188 81.08013153076172 656.38671875 99.16071319580078 657.058349609375 63.390625 659.3936767578125 50.21542739868164 660.3870239257812 3405.802734375 660.5270385742188 10.011363983154297 660.8486938476562 52.4934196472168 660.9912109375 17.01785659790039 661.0718383789062 30.285715103149414 661.232177734375 45.83333206176758 661.3126220703125 21.003204345703125 661.3898315429688 1470.1524658203125 661.5001831054688 13.007352828979492 661.7999877929688 56.882354736328125 662.3986206054688 26.65441131591797 663.07373046875 22.140625 665.5908203125 9.375 666.3317260742188 7.041666507720947 667.3963623046875 70.2249984741211 668.4154663085938 460.37255859375 668.6355590820312 35.67045593261719 668.764404296875 16.0625 668.90673828125 23.349138259887695 669.385009765625 102.39048767089844 669.4185180664062 391.00927734375 669.89501953125 30.002273559570312 670.4042358398438 220.5 671.3695678710938 56.272727966308594 671.4234619140625 6.083333492279053 672.328369140625 151.38946533203125 673.3330688476562 118.05946350097656 677.3948974609375 86.44444274902344 684.3837890625 402.2083435058594 684.4608764648438 31.08333396911621 685.3860473632812 322.7884521484375 689.8408203125 19.0592098236084 690.406982421875 72.14673614501953 690.9096069335938 289.06304931640625 690.9849243164062 10.625 691.0177612304688 8.017857551574707 691.4502563476562 180.14285278320312 692.317138671875 24.923076629638672 694.4085693359375 32.05263137817383 695.443603515625 11.571428298950195 697.903564453125 115.7368392944336 698.4009399414062 780.1488037109375 699.4038696289062 372.4366760253906 700.3413696289062 17.322368621826172 700.5437622070312 31.0 703.1011352539062 13.020833015441895 704.9071044921875 64.2249984741211 706.3142700195312 70.92391204833984 708.4215698242188 266.5 708.5118408203125 19.1488094329834 709.4647216796875 83.0 710.3946533203125 139.43902587890625 710.457275390625 131.03048706054688 711.4337768554688 203.49795532226562 712.4151611328125 1297.2105712890625 712.4918823242188 8.625 712.9171752929688 78.37191009521484 712.9692993164062 12.041666984558105 713.4198608398438 167.0 714.2679443359375 23.11842155456543 714.98291015625 28.5625 718.9080200195312 66.22240447998047 719.4434814453125 1570.93603515625 719.6700439453125 9.03125 720.052001953125 16.33333396911621 720.4479370117188 447.1000061035156 721.5716552734375 26.030405044555664 722.3982543945312 19.285715103149414 723.1021728515625 35.453704833984375 724.5035400390625 23.640151977539062 725.0178833007812 31.211206436157227 725.9358520507812 63.0431022644043 726.101318359375 18.16666603088379 726.9139404296875 845.9617309570312 727.0667724609375 13.008333206176758 727.4168090820312 657.9100341796875 727.9115600585938 139.86880493164062 728.3875732421875 11.024999618530273 729.450927734375 155.7355499267578 730.1708984375 5.041666507720947 732.0909423828125 75.0250015258789 735.4251708984375 93.04535675048828 736.471435546875 70.34417724609375 737.2747802734375 65.04741668701172 737.4560546875 29311.75 737.7510375976562 32.09090805053711 737.80419921875 75.57142639160156 737.909423828125 39.77822494506836 738.036865234375 62.79360580444336 738.1624755859375 116.97965240478516 738.2229614257812 48.10714340209961 738.280029296875 9.041666984558105 738.35546875 9.086538314819336 738.4598388671875 9097.27734375 738.5637817382812 56.0625 738.6102905273438 45.08333206176758 738.6719970703125 60.53845977783203 738.7140502929688 23.640151977539062 738.7534790039062 34.22368240356445 738.8482666015625 87.97626495361328 739.0068359375 29.08333396911621 739.0911865234375 49.03409194946289 739.1636962890625 74.125 739.2506713867188 76.33552551269531 739.3607788085938 31.671297073364258 739.4623413085938 497.21331787109375 739.6056518554688 49.91755294799805 739.6864013671875 30.25 739.780517578125 56.066490173339844 739.839111328125 21.113636016845703 740.0831909179688 40.01315689086914 740.168212890625 7.0 740.3875122070312 361.87738037109375 740.4912109375 19.007352828979492 740.5777587890625 23.480262756347656 741.409912109375 169.20663452148438 741.87646484375 34.016666412353516 742.4290161132812 123.07836151123047 744.3920288085938 66.78225708007812 744.4918823242188 7.0 744.7758178710938 6.025000095367432 744.9191284179688 43.315216064453125 745.20263671875 21.41666603088379 746.9452514648438 105.22368621826172 748.9276123046875 72.40485382080078 749.4268798828125 18.022727966308594 751.2720336914062 17.56818199157715 752.4461059570312 283.5308837890625 752.935302734375 403.3340148925781 753.5043334960938 189.09158325195312 753.8983154296875 10.68055534362793 754.340087890625 8.166666984558105 754.9385986328125 293.37335205078125 755.0177612304688 10.225000381469727 755.42236328125 216.0314178466797 755.4492797851562 119.40192413330078 755.5231323242188 6.0 757.421630859375 787.6632080078125 757.5670166015625 5.083333492279053 757.9505004882812 134.20118713378906 758.3223266601562 18.100807189941406 758.42333984375 179.77127075195312 758.5860595703125 24.799999237060547 760.1402587890625 17.005434036254883 760.9189453125 45.16569900512695 761.4244995117188 139.22145080566406 761.92333984375 86.6875 762.434326171875 81.13333129882812 762.5068359375 17.00657844543457 766.3512573242188 106.68004608154297 766.4560546875 243.69126892089844 767.0003051757812 7.25 767.4049072265625 63.272220611572266 767.470947265625 149.125 767.5780639648438 5.017857074737549 768.3764038085938 19.75 768.9158935546875 7.050000190734863 769.3010864257812 23.0 769.4646606445312 17.009614944458008 771.3941650390625 82.61228942871094 771.4255981445312 32.720237731933594 771.7977294921875 46.29656982421875 772.3999633789062 163.7205047607422 773.4014892578125 62.66865158081055 780.3490600585938 33.2717399597168 781.4375 158.10061645507812 781.4961547851562 66.38409423828125 781.950439453125 26.149391174316406 782.4542846679688 303.4568176269531 782.5426025390625 13.5 783.4553833007812 845.9677124023438 783.5716552734375 6.25 783.9609985351562 578.3103637695312 784.4341430664062 128.2816619873047 785.4118041992188 2095.43603515625 785.4990844726562 17.011363983154297 785.6755981445312 21.899999618530273 786.31640625 31.515243530273438 786.4166259765625 1149.038818359375 786.5324096679688 28.450000762939453 786.6689453125 49.032142639160156 787.0318603515625 41.64500045776367 787.41552734375 157.6351318359375 787.6708984375 34.53779220581055 789.0650024414062 26.094696044921875 789.5038452148438 11.050000190734863 790.945556640625 115.28408813476562 792.54150390625 10.47115421295166 792.8716430664062 16.674999237060547 794.8399658203125 21.071428298950195 794.9273681640625 25.52083396911621 795.4672241210938 14.69444465637207 795.5160522460938 29.600000381469727 795.9667358398438 104.23243713378906 796.470703125 411.694580078125 796.6031494140625 6.125 797.4705810546875 357.0138854980469 797.5393676757812 24.75 798.4141845703125 95.03030395507812 798.4700317382812 256.28125 799.1140747070312 10.009614944458008 799.4691772460938 189.9454345703125 799.8013916015625 10.041666984558105 803.37255859375 30.25 803.983154296875 51.761905670166016 804.0297241210938 12.0 804.9861450195312 28.0 808.096435546875 8.5 808.9694213867188 1009.8021850585938 809.1116943359375 9.225000381469727 809.3638305664062 41.599998474121094 809.475830078125 1178.8741455078125 809.5811767578125 142.59768676757812 809.7911987304688 12.675000190734863 809.972900390625 70.5078125 810.6007080078125 22.016666412353516 810.7193603515625 22.089284896850586 812.4721069335938 112.0 813.9810180664062 64.97965240478516 814.0374755859375 98.50480651855469 814.08251953125 76.92045593261719 814.4859619140625 659.7775268554688 815.1787719726562 21.024999618530273 816.7518310546875 17.405000686645508 817.8359985351562 97.53152465820312 817.974853515625 1265.019287109375 818.3106689453125 21.115739822387695 818.4754638671875 339.76409912109375 818.6185913085938 11.027777671813965 818.9707641601562 558.438232421875 819.0674438476562 15.375 819.48046875 426.3243103027344 819.962158203125 141.81893920898438 820.2985229492188 17.405000686645508 823.4293212890625 15.875 823.494140625 33.960105895996094 825.3509521484375 14.008333206176758 825.444091796875 176.9423065185547 826.50341796875 181.55882263183594 826.5960693359375 11.024999618530273 827.4977416992188 18.480262756347656 828.4547729492188 170.0 828.8937377929688 24.024999618530273 829.4058837890625 12.083333015441895 829.4597778320312 104.72321319580078 830.4850463867188 174.05128479003906 831.4151611328125 8.008333206176758 831.635498046875 20.0592098236084 831.9651489257812 166.35508728027344 837.9259643554688 44.003047943115234 838.4738159179688 111.57341003417969 839.1526489257812 46.06944274902344 839.3439331054688 16.204545974731445 839.4547119140625 213.04090881347656 840.496337890625 191.6281280517578 841.0423583984375 41.67045593261719 841.9315185546875 8.199999809265137 846.3878173828125 8.333333015441895 846.4652099609375 6539.93408203125 846.5524291992188 183.00384521484375 846.61328125 119.24019622802734 846.9868774414062 27.0 847.108154296875 14.04891300201416 847.259765625 26.25 847.4722290039062 2285.53173828125 847.6129760742188 102.11428833007812 847.6900024414062 41.40833282470703 847.9180908203125 113.04412078857422 847.9904174804688 460.5620422363281 848.0794677734375 11.125 848.2220458984375 17.111841201782227 848.3924560546875 36.61249923706055 848.4743041992188 281.5833435058594 849.3533325195312 25.68055534362793 849.6467895507812 39.0452880859375 849.987060546875 34.89285659790039 851.51025390625 25.032142639160156 851.9054565429688 31.225000381469727 852.5265502929688 181.48794555664062 852.8939208984375 18.625 853.3147583007812 34.761905670166016 853.485595703125 140.6735076904297 853.700439453125 34.92045593261719 854.4879760742188 135.8834686279297 854.9950561523438 94.09042358398438 855.0430297851562 17.25 855.4788818359375 19.066177368164062 856.4873657226562 372.18011474609375 857.4894409179688 65.09789276123047 857.9283447265625 12.892857551574707 860.5057983398438 97.15921020507812 860.5829467773438 8.086538314819336 863.44775390625 22.5625 864.4686279296875 66.00892639160156 866.0093994140625 9.347222328186035 866.4694213867188 68.21052551269531 868.5236206054688 40.125 870.5032348632812 1013.5420532226562 871.4063720703125 21.240385055541992 871.4916381835938 88.45564270019531 872.4923706054688 71.14286041259766 877.5255126953125 98.1716079711914 878.5313110351562 155.18919372558594 878.7701416015625 45.247642517089844 880.013916015625 45.06578826904297 880.4842529296875 313.34466552734375 880.620361328125 5.5 881.4789428710938 19.446428298950195 884.4301147460938 54.014610290527344 884.4848022460938 1063.63037109375 884.894775390625 16.11111068725586 885.0397338867188 32.06578826904297 885.4835205078125 557.8449096679688 886.4763793945312 58.043479919433594 887.0101318359375 22.600000381469727 887.4219360351562 210.02651977539062 888.0015869140625 78.6866455078125 888.504150390625 88.03845977783203 889.5494384765625 12.5 891.0204467773438 7.199999809265137 893.5223999023438 53.266510009765625 895.5394897460938 196.61111450195312 896.5413818359375 274.17022705078125 896.8968505859375 41.5113639831543 897.016357421875 325.5205383300781 897.3153686523438 77.40833282470703 897.5310668945312 519.0870971679688 897.6234741210938 9.160714149475098 897.7393798828125 19.149999618530273 898.4059448242188 89.11376190185547 898.4972534179688 5060.9326171875 898.6343994140625 26.036291122436523 898.7090454101562 32.5625 898.82177734375 15.006579399108887 899.030029296875 14.020833015441895 899.2486572265625 40.02122497558594 899.3078002929688 19.450000762939453 899.49951171875 1735.0177001953125 899.6256713867188 48.360294342041016 899.8887939453125 42.272727966308594 899.9373168945312 21.14285659790039 900.196533203125 51.92307662963867 900.3694458007812 37.32692337036133 900.421142578125 27.285715103149414 900.5009155273438 322.4446716308594 900.5628662109375 74.03765106201172 900.6549682617188 19.066667556762695 901.1135864257812 10.208333015441895 901.5737915039062 57.202274322509766 901.6242065429688 53.003570556640625 902.0115966796875 1192.068115234375 902.5121459960938 1507.0206298828125 903.0232543945312 370.1111145019531 903.2396240234375 48.28409194946289 903.33642578125 27.5625 903.502197265625 42.30867385864258 903.6796264648438 10.125 905.5225219726562 385.8458557128906 906.5213012695312 49.040000915527344 906.751220703125 7.199999809265137 907.4090576171875 16.69444465637207 907.5445556640625 15.240385055541992 907.5774536132812 29.0 909.49365234375 62.315216064453125 909.547119140625 119.73778533935547 910.4711303710938 34.939517974853516 910.541259765625 36.92045593261719 911.0160522460938 2212.2783203125 911.1377563476562 24.08333396911621 911.3812255859375 28.016666412353516 911.5167846679688 2269.586669921875 911.64208984375 26.086538314819336 911.8292846679688 6.083333492279053 911.9033203125 36.40691375732422 912.0185546875 331.43878173828125 912.2071533203125 18.005434036254883 912.2700805664062 29.570945739746094 912.5208129882812 16.69444465637207 912.5532836914062 18.0 912.7736206054688 43.25 912.8365478515625 27.428571701049805 913.0488891601562 115.68034362792969 914.2117309570312 57.57857131958008 919.5164184570312 118.90725708007812 919.5664672851562 69.69551086425781 919.6195678710938 13.225000381469727 919.9230346679688 15.0 920.5594482421875 27.04166603088379 922.1636352539062 49.2195930480957 922.5142822265625 76.00212097167969 923.3793334960938 31.644737243652344 923.5341186523438 7547.48193359375 923.6798095703125 37.003787994384766 923.8331909179688 11.321428298950195 924.0289306640625 89.90908813476562 924.10107421875 18.799999237060547 924.1707763671875 39.09782791137695 924.444580078125 64.55172729492188 924.5383911132812 3121.11572265625 924.6669921875 68.02325439453125 924.793701171875 26.185606002807617 925.0047607421875 52.14285659790039 925.0577392578125 50.007354736328125 925.164794921875 14.889705657958984 925.2095336914062 42.85714340209961 925.4278564453125 13.595588684082031 925.5433349609375 346.0416564941406 925.6178588867188 39.019229888916016 925.6807861328125 66.04280853271484 925.8994140625 10.920454978942871 925.9310302734375 73.46154022216797 926.05078125 13.035714149475098 926.4840698242188 11.035714149475098 926.56884765625 91.11161041259766 927.4757080078125 122.56006622314453 927.5308227539062 55.034481048583984 928.5039672851562 29.015625 931.1826782226562 14.142857551574707 931.9989624023438 23.0 932.53564453125 689.526611328125 932.7905883789062 11.68055534362793 933.0365600585938 423.725341796875 933.5482177734375 71.68269348144531 934.7349853515625 16.796052932739258 936.5416870117188 33.08928680419922 939.5540161132812 40.094696044921875 939.795654296875 28.816667556762695 940.5935668945312 26.75 941.0158081054688 130.4215087890625 941.0908813476562 50.32692337036133 941.432861328125 104.55555725097656 941.4841918945312 187.84100341796875 941.5411376953125 497.0254211425781 941.9052734375 22.16554069519043 942.04541015625 414.4087829589844 942.182373046875 8.011363983154297 942.5394897460938 248.32237243652344 943.495849609375 70.42857360839844 944.1119995117188 30.02777862548828 950.5617065429688 95.29081726074219 952.5340576171875 102.35810852050781 952.8184204101562 51.93939208984375 953.560546875 55.342594146728516 955.5460815429688 291.00128173828125 956.5545654296875 73.75543212890625 959.5488891601562 7149.13037109375 959.7545166015625 27.030405044555664 959.9266357421875 40.01041793823242 959.980224609375 52.14814758300781 960.0347290039062 83.79717254638672 960.3035278320312 16.0 960.554931640625 3290.755126953125 960.7156982421875 10.68055534362793 960.8372802734375 32.485294342041016 961.239501953125 29.115739822387695 961.29345703125 11.03125 961.5570068359375 182.73770141601562 961.9395751953125 21.107759475708008 962.0322875976562 33.08333206176758 962.1716918945312 7.25 962.20947265625 24.782407760620117 963.437255859375 10.102272987365723 966.5419311523438 46.224998474121094 967.5745849609375 723.041259765625 967.6668701171875 8.041666984558105 968.5811157226562 212.69210815429688 968.8695678710938 58.26612854003906 969.1801147460938 68.44598388671875 969.5769653320312 139.4499969482422 970.57421875 69.09722137451172 971.4924926757812 288.54327392578125 979.5416259765625 149.22222900390625 983.5445556640625 534.4029541015625 984.5521240234375 139.3361053466797 985.299560546875 28.011363983154297 988.7906494140625 41.903690338134766 992.9564208984375 67.64102935791016 993.5267944335938 153.8825225830078 996.6242065429688 31.58333396911621 997.5658569335938 1934.3489990234375 997.6914672851562 10.225000381469727 998.0619506835938 8.160714149475098 998.5728149414062 1379.7276611328125 998.9124145507812 30.242647171020508 999.5093994140625 15.0054349899292 999.5696411132812 175.78125 999.7577514648438 15.163461685180664 1010.3670043945312 25.204999923706055 1014.9009399414062 23.125 1018.5944213867188 244.7142791748047 1018.6268920898438 152.35601806640625 1019.6118774414062 67.00657653808594 1025.5618896484375 50.266666412353516 1025.997314453125 121.00312805175781 1026.5693359375 8.166666984558105 1027.611328125 20.011363983154297 1034.60205078125 9.008333206176758 1035.115966796875 15.482142448425293 1035.6298828125 35.24038314819336 1036.6212158203125 4182.15673828125 1036.747314453125 128.02325439453125 1036.8035888671875 40.00265884399414 1036.886962890625 45.761905670166016 1037.0606689453125 21.125 1037.2958984375 36.0 1037.396240234375 27.02743911743164 1037.498291015625 28.670454025268555 1037.6236572265625 2180.330322265625 1037.754150390625 13.11111068725586 1037.93310546875 48.08035659790039 1037.988525390625 10.017857551574707 1038.2923583984375 52.469444274902344 1038.6090087890625 178.3051300048828 1038.7965087890625 16.0 1038.8955078125 9.0 1039.2557373046875 87.50480651855469 1039.33203125 38.08088302612305 1039.56005859375 285.0208435058594 1039.614990234375 106.31521606445312 1040.58935546875 215.0006103515625 1041.5831298828125 162.1190948486328 1051.606689453125 65.67361450195312 1051.84033203125 13.225000381469727 1052.651123046875 69.05123138427734 1053.6318359375 19.204545974731445 1054.59765625 43.78125 1056.5814208984375 791.9307250976562 1056.7333984375 9.199999809265137 1057.5841064453125 273.9057922363281 1057.7261962890625 99.43524169921875 1059.308837890625 31.30681800842285 1060.2818603515625 10.125 1062.365966796875 18.480262756347656 1062.6524658203125 96.80000305175781 1063.6419677734375 16.038793563842773 1066.568359375 207.61778259277344 1067.553466796875 82.05882263183594 1067.643310546875 26.349138259887695 1068.6329345703125 194.3787078857422 1069.6187744140625 40.42856979370117 1070.5623779296875 158.32003784179688 1070.629638671875 7.125 1071.6190185546875 10.47115421295166 1074.9288330078125 27.160715103149414 1075.6234130859375 42.13869857788086 1078.6217041015625 116.0 1080.66015625 398.6213073730469 1081.6572265625 233.19534301757812 1082.615234375 276.4556579589844 1082.662841796875 103.08999633789062 1083.3243408203125 22.22222137451172 1083.6185302734375 214.22715759277344 1084.3074951171875 54.015846252441406 1084.4381103515625 53.280174255371094 1084.4876708984375 10.125 1084.5777587890625 7497.05859375 1084.79931640625 24.164474487304688 1084.8392333984375 25.25 1084.9010009765625 28.04166603088379 1085.0308837890625 62.38815689086914 1085.0841064453125 103.60665130615234 1085.2764892578125 66.3494873046875 1085.331787109375 36.04999923706055 1085.580078125 3354.543212890625 1085.7276611328125 20.004032135009766 1085.828857421875 9.086538314819336 1085.885986328125 34.53065872192383 1085.989013671875 21.032142639160156 1086.103515625 10.321428298950195 1086.2410888671875 32.16071319580078 1086.2864990234375 22.211206436157227 1086.4034423828125 77.88095092773438 1086.579833984375 765.6241455078125 1086.7208251953125 7.347222328186035 1086.873779296875 9.800000190734863 1086.989990234375 18.125 1087.0540771484375 39.85969543457031 1087.515625 28.326923370361328 1087.64892578125 38.09375 1087.9696044921875 24.16554069519043 1088.350830078125 23.889705657958984 1089.6502685546875 68.56839752197266 1090.485107421875 8.875 1092.5443115234375 5.160714149475098 1093.6778564453125 16.5 1095.4971923828125 21.322368621826172 1096.63232421875 1586.7257080078125 1097.5198974609375 15.017857551574707 1097.6348876953125 1073.723388671875 1097.88818359375 15.009614944458008 1098.431884765625 29.33333396911621 1098.6375732421875 361.0982666015625 1098.73974609375 8.0 1100.265380859375 34.375 1101.6776123046875 15.796052932739258 1104.548583984375 61.105262756347656 1106.633056640625 228.8995361328125 1111.611083984375 19.446428298950195 1124.6015625 73.72115325927734 1125.65234375 25.68055534362793 1126.5728759765625 15.1875 1127.5712890625 141.76388549804688 1127.6185302734375 495.3507385253906 1128.0230712890625 30.816667556762695 1128.6146240234375 149.9453125 1129.371826171875 21.038793563842773 1137.6373291015625 20.034090042114258 1138.6319580078125 92.2479476928711 1139.54833984375 53.16008758544922 1139.65673828125 207.04539489746094 1140.66064453125 122.24038696289062 1141.1302490234375 15.024999618530273 1142.69091796875 34.002357482910156 1144.58154296875 52.506248474121094 1144.616943359375 54.165985107421875 1144.8082275390625 96.84005737304688 1145.3228759765625 66.76219177246094 1145.42822265625 82.15243530273438 1145.629638671875 19300.0 1145.8914794921875 58.20990753173828 1145.96826171875 38.246952056884766 1146.0404052734375 32.165321350097656 1146.0826416015625 95.70454406738281 1146.1800537109375 76.44678497314453 1146.2841796875 14.675000190734863 1146.3468017578125 14.083333015441895 1146.445556640625 58.96195602416992 1146.6319580078125 10915.869140625 1146.781982421875 107.09469604492188 1146.854736328125 84.12198638916016 1146.9560546875 71.01679229736328 1147.0279541015625 129.94586181640625 1147.1304931640625 41.235294342041016 1147.203857421875 58.48147964477539 1147.29931640625 43.778846740722656 1147.3968505859375 77.20719146728516 1147.4359130859375 77.75757598876953 1147.5140380859375 39.77777862548828 1147.6358642578125 1466.440185546875 1147.7684326171875 80.1953125 1147.85791015625 36.1136360168457 1147.9156494140625 16.03125 1148.045654296875 44.125 1148.120361328125 9.240385055541992 1148.3204345703125 5.0625 1148.533935546875 13.47115421295166 1148.64990234375 9.240385055541992 1148.8265380859375 10.0 1149.00927734375 11.0 1149.0618896484375 22.173076629638672 1149.35546875 13.595588684082031 1149.3836669921875 42.5610466003418 1152.696044921875 56.75 1152.844482421875 65.3719482421875 1153.653564453125 384.2562561035156 1153.890380859375 14.03125 1154.3779296875 55.31428527832031 1154.65625 47.94230651855469 1155.645751953125 396.1186218261719 1155.8165283203125 19.004310607910156 1156.654296875 253.62132263183594 1156.7965087890625 5.0625 1157.044677734375 7.125 1157.9979248046875 9.446428298950195 1158.7266845703125 26.326923370361328 1159.198486328125 16.242647171020508 1163.2066650390625 53.4571418762207 1163.609375 58.015411376953125 1163.8076171875 28.5 1165.6102294921875 79.63377380371094 1166.30810546875 11.183823585510254 1166.6424560546875 110.36029052734375 1167.6787109375 82.5941390991211 1168.6727294921875 5.0625 1168.7684326171875 48.544490814208984 1170.6263427734375 169.7779083251953 1170.7010498046875 92.00833129882812 1171.6304931640625 27.149999618530273 1173.0572509765625 16.0 1176.6817626953125 12.5 1180.2344970703125 30.396739959716797 1181.4569091796875 13.0054349899292 1181.67724609375 180.2007598876953 1183.355224609375 52.08333206176758 1183.522705078125 73.17308044433594 1183.6453857421875 5956.82666015625 1183.7972412109375 20.086538314819336 1183.8336181640625 12.01388931274414 1183.9288330078125 15.066176414489746 1184.0184326171875 6.625 1184.4825439453125 22.961956024169922 1184.647216796875 3969.608642578125 1184.793212890625 36.280174255371094 1184.837646484375 62.08333206176758 1184.9686279296875 14.225000381469727 1185.055908203125 88.66666412353516 1185.2198486328125 52.0239372253418 1185.34716796875 10.225000381469727 1185.5662841796875 33.003047943115234 1185.6539306640625 490.3140563964844 1185.7696533203125 44.453704833984375 1185.9439697265625 13.163461685180664 1186.1904296875 15.0625 1186.2838134765625 5.013888835906982 1186.6168212890625 13.347222328186035 1186.68994140625 54.04166793823242 1186.929931640625 16.56818199157715 1188.2099609375 16.075000762939453 1194.71875 60.08626937866211 1195.702880859375 693.4990234375 1195.824462890625 69.20663452148438 1196.00390625 13.050000190734863 1196.1715087890625 32.79999923706055 1196.20849609375 19.44444465637207 1196.704345703125 416.0224914550781 1196.8255615234375 7.013888835906982 1196.919677734375 9.800000190734863 1197.549560546875 24.111841201782227 1197.7083740234375 20.125 1200.0537109375 25.246952056884766 1204.69287109375 102.51058959960938 1205.35693359375 24.44499969482422 1205.6903076171875 171.8780517578125 1205.8226318359375 17.125 1208.6942138671875 53.034481048583984 1209.7056884765625 49.78125 1210.6568603515625 88.24281311035156 1211.428955078125 22.1488094329834 1214.16796875 83.5952377319336 1215.7042236328125 43.41345977783203 1217.7166748046875 20.164474487304688 1218.708984375 14.284090995788574 1218.8077392578125 13.005000114440918 1222.6993408203125 2279.11572265625 1222.7967529296875 50.80356979370117 1223.078369140625 47.75 1223.3094482421875 40.043479919433594 1223.5888671875 20.0 1223.703125 1154.111572265625 1223.7779541015625 109.63333129882812 1224.1246337890625 12.0625 1224.6953125 294.70001220703125 1224.81591796875 5.160714149475098 1224.8802490234375 9.0 1225.5452880859375 8.166666984558105 1226.6771240234375 414.0003662109375 1227.1993408203125 15.625 1227.701416015625 58.60499954223633 1227.886474609375 21.125 1228.345947265625 31.36742401123047 1228.6746826171875 16.125 1229.79150390625 13.059210777282715 1231.6802978515625 86.14881134033203 1231.7926025390625 5.0 1233.581787109375 11.01388931274414 1233.7095947265625 86.71428680419922 1236.5958251953125 6.050000190734863 1237.6953125 31.45833396911621 1237.768310546875 28.04347801208496 1238.727783203125 350.46282958984375 1239.418212890625 206.0108642578125 1239.4908447265625 30.600000381469727 1239.763427734375 130.48521423339844 1240.88427734375 12.199999809265137 1242.189697265625 98.0250015258789 1242.671142578125 111.5436782836914 1243.6717529296875 56.969825744628906 1243.7906494140625 13.163461685180664 1244.4219970703125 47.06666564941406 1244.46826171875 96.4456558227539 1244.5877685546875 167.72845458984375 1244.6982421875 16927.955078125 1244.8642578125 137.02499389648438 1244.9998779296875 77.31410217285156 1245.0865478515625 71.5706558227539 1245.16357421875 46.30882263183594 1245.277099609375 67.06127166748047 1245.3421630859375 33.04166793823242 1245.4404296875 116.33333587646484 1245.4698486328125 104.80172729492188 1245.5848388671875 65.78571319580078 1245.699951171875 12752.078125 1245.833251953125 150.01210021972656 1245.927734375 24.796052932739258 1245.99169921875 23.071428298950195 1246.021240234375 20.163461685180664 1246.0897216796875 7.1022725105285645 1246.1387939453125 14.059210777282715 1246.2122802734375 26.149391174316406 1246.2757568359375 52.08333206176758 1246.4254150390625 17.65441131591797 1246.4884033203125 118.11123657226562 1246.5548095703125 57.061275482177734 1246.70751953125 1317.8621826171875 1246.802978515625 46.28571319580078 1246.8741455078125 100.01210021972656 1246.951904296875 55.58726501464844 1247.0677490234375 116.04166412353516 1247.1575927734375 39.64015197753906 1247.345703125 52.68144989013672 1248.014892578125 32.4900016784668 1248.2197265625 22.04166603088379 1248.54248046875 8.166666984558105 1248.7252197265625 11.375 1248.8983154296875 13.25 1249.73291015625 9.0 1251.75927734375 17.003787994384766 1253.6273193359375 32.1184196472168 1254.143798828125 22.285715103149414 1254.3028564453125 39.01250076293945 1254.7113037109375 261.79998779296875 1255.1016845703125 17.69444465637207 1255.724609375 237.82748413085938 1256.7156982421875 26.094696044921875 1256.9000244140625 8.125 1262.7423095703125 23.480770111083984 1265.70166015625 93.31428527832031 1266.730224609375 636.513671875 1266.8787841796875 27.375 1267.6865234375 61.66911697387695 1267.7440185546875 720.10546875 1268.33740234375 19.48214340209961 1268.5091552734375 56.28125 1268.7430419921875 141.6666717529297 1269.4359130859375 21.111841201782227 1272.73193359375 23.174999237060547 1282.71435546875 3135.50341796875 1282.8243408203125 74.04499816894531 1283.0140380859375 92.20191955566406 1283.1219482421875 16.125 1283.4334716796875 16.532894134521484 1283.4862060546875 17.36111068725586 1283.5693359375 39.47368240356445 1283.7144775390625 2646.798583984375 1283.8841552734375 30.532894134521484 1283.9444580078125 48.387821197509766 1283.98095703125 41.140625 1284.078369140625 17.240385055541992 1284.3046875 37.266666412353516 1284.3536376953125 16.0 1284.5478515625 21.5625 1284.6016845703125 7.025000095367432 1284.720947265625 230.86842346191406 1285.0013427734375 46.19047546386719 1285.200927734375 76.5308837890625 1286.3953857421875 54.030303955078125 1287.7034912109375 7.125 1290.7578125 15.360294342041016 1291.2572021484375 9.0 1295.7032470703125 40.0 1295.765625 27.211206436157227 1317.7801513671875 146.18344116210938 1317.8590087890625 9.0625 1318.7716064453125 380.16070556640625 1319.0059814453125 5.017857074737549 1319.086669921875 19.901315689086914 1319.7879638671875 16.125 1322.7921142578125 23.52941131591797 1323.7647705078125 6.0 1325.758056640625 180.125 1325.8642578125 33.81666564941406 1326.7908935546875 53.40999984741211 1327.762939453125 26.900861740112305 1329.724853515625 20.454545974731445 1330.6890869140625 40.61249923706055 1335.57861328125 9.035714149475098 1335.7833251953125 1865.125244140625 1336.0775146484375 20.720237731933594 1336.2958984375 20.0 1336.673095703125 15.125 1336.7845458984375 1749.8072509765625 1336.974853515625 29.030405044555664 1337.1522216796875 24.560184478759766 1337.4193115234375 10.0 1337.6224365234375 40.061275482177734 1337.783447265625 157.14285278320312 1338.194091796875 36.040000915527344 1338.270263671875 12.25 1340.2523193359375 18.035715103149414 1340.939208984375 23.211206436157227 1342.73583984375 165.04937744140625 1343.3040771484375 68.55577087402344 1343.57421875 81.66666412353516 1343.7666015625 9156.634765625 1343.9801025390625 22.048913955688477 1344.107177734375 65.1314926147461 1344.14453125 34.099998474121094 1344.2486572265625 55.82045364379883 1344.323486328125 17.48214340209961 1344.3973388671875 122.84615325927734 1344.553955078125 66.39612579345703 1344.77099609375 7985.505859375 1344.926025390625 67.88043212890625 1345.0445556640625 105.9259262084961 1345.1551513671875 11.125 1345.21533203125 63.47093200683594 1345.3458251953125 77.56320190429688 1345.4306640625 74.5999984741211 1345.5618896484375 6.125 1345.7696533203125 1470.6680908203125 1345.9134521484375 36.969825744628906 1346.1201171875 37.306819915771484 1346.1710205078125 6.025000095367432 1346.2255859375 10.920454978942871 1346.3616943359375 22.003570556640625 1346.46337890625 28.00657844543457 1346.566650390625 8.449999809265137 1346.66748046875 11.0 1347.075927734375 13.166666984558105 1347.2265625 24.160715103149414 1347.43212890625 20.132352828979492 1349.5648193359375 51.88915252685547 1350.2379150390625 21.64285659790039 1351.412109375 40.76861572265625 1351.8076171875 32.03879165649414 1352.791015625 36.85141372680664 1353.7633056640625 145.0204315185547 1354.7763671875 24.875 1355.519775390625 32.40833282470703 1355.764404296875 107.93882751464844 1355.8604736328125 30.890625 1361.8216552734375 20.125 1364.5552978515625 114.72844696044922 1364.8360595703125 53.165985107421875 1366.9920654296875 26.23546600341797 1367.777587890625 72.13157653808594 1376.7410888671875 15.027777671813965 1379.7618408203125 66.54166412353516 1379.8170166015625 480.8612365722656 1380.541748046875 6.125 1380.8250732421875 621.565185546875 1380.99609375 10.050000190734863 1381.4852294921875 6.025000095367432 1381.5382080078125 15.006579399108887 1381.786376953125 1754.0020751953125 1381.9732666015625 11.0 1382.1715087890625 54.76483154296875 1382.2349853515625 25.1875 1382.558349609375 29.5625 1382.787109375 1243.56201171875 1383.02294921875 31.23546600341797 1383.126220703125 11.011363983154297 1383.7852783203125 182.02499389648438 1383.9405517578125 42.727272033691406 1391.540283203125 35.65441131591797 1392.793701171875 58.01785659790039 1393.801513671875 118.00123596191406 1394.7869873046875 60.371212005615234 1395.789306640625 63.1328125 1404.80908203125 64.53333282470703 1407.774169921875 16.0 1408.829833984375 94.21052551269531 1408.901123046875 12.800000190734863 1413.4716796875 53.0239372253418 1424.8282470703125 157.19642639160156 1425.5338134765625 19.094696044921875 1425.7705078125 27.009614944458008 1425.8291015625 163.34483337402344 1427.6412353515625 21.33333396911621 1434.925537109375 21.33333396911621 1441.627197265625 25.16532325744629 1441.82080078125 117.11265563964844 1442.62060546875 19.899999618530273 1442.833740234375 3685.10595703125 1442.9593505859375 97.0644760131836 1443.2408447265625 19.65441131591797 1443.4468994140625 49.73975372314453 1443.5916748046875 7.017857074737549 1443.69921875 68.33333587646484 1443.83447265625 3369.432373046875 1444.0269775390625 13.041666984558105 1444.144287109375 13.024999618530273 1444.4627685546875 19.03125 1444.5682373046875 23.149999618530273 1444.658935546875 87.54729461669922 1444.7266845703125 8.125 1444.84423828125 473.2720031738281 1445.0863037109375 31.36742401123047 1445.4261474609375 18.00657844543457 1445.6112060546875 20.782407760620117 1445.7247314453125 14.446428298950195 1445.7562255859375 45.24007797241211 1446.005859375 43.570945739746094 1446.2611083984375 21.57065200805664 1446.3924560546875 18.08333396911621 1447.7001953125 21.796052932739258 1447.8828125 44.215518951416016 1450.8670654296875 171.66944885253906 1451.86376953125 233.02499389648438 1451.9815673828125 11.321428298950195 1452.711181640625 48.55172348022461 1452.815673828125 1164.8123779296875 1452.89794921875 81.40833282470703 1453.64599609375 14.77884578704834 1453.821044921875 1291.5245361328125 1454.20556640625 9.009614944458008 1454.4306640625 15.004630088806152 1454.5631103515625 21.125 1454.82275390625 277.1290283203125 1456.3817138671875 16.89285659790039 1476.8687744140625 108.19999694824219 1477.857177734375 24.125 1487.90234375 52.29656982421875 1488.155029296875 17.053571701049805 1488.8779296875 62.10041046142578 1489.9058837890625 20.89285659790039 1490.882080078125 38.375 1493.2899169921875 33.00925827026367 1493.8819580078125 118.2249984741211 1493.9669189453125 29.285715103149414 1494.8575439453125 172.88043212890625 1495.6123046875 16.204545974731445 1495.8597412109375 210.04844665527344 1496.32421875 15.183823585510254 1496.8646240234375 85.53162384033203 1497.7919921875 7.4464287757873535 1497.8695068359375 40.27364730834961 1503.849365234375 253.3333282470703 1503.9520263671875 68.01190185546875 1504.867919921875 75.55999755859375 1505.8616943359375 56.61249923706055 1507.7430419921875 10.875 1507.8563232421875 133.14959716796875 1508.8736572265625 278.78570556640625 1509.5167236328125 37.01315689086914 1510.839111328125 28.685976028442383 1511.837646484375 21.066177368164062 1512.229736328125 30.840116500854492 1512.8509521484375 36.85141372680664 1513.1890869140625 59.47058868408203 1513.5938720703125 40.10381317138672 1513.7061767578125 79.14204406738281 1513.8726806640625 3261.034423828125 1514.1072998046875 9.142857551574707 1514.1759033203125 79.00119018554688 1514.40625 26.56818199157715 1514.510009765625 33.25 1514.8714599609375 3557.412353515625 1515.02099609375 78.96154022216797 1515.154052734375 45.761905670166016 1515.458740234375 20.094696044921875 1515.5533447265625 28.112499237060547 1515.675048828125 15.0 1515.7562255859375 119.00499725341797 1515.876708984375 537.6170654296875 1516.0140380859375 31.38888931274414 1516.2528076171875 72.06578826904297 1516.468017578125 11.5625 1517.4725341796875 48.469444274902344 1517.8828125 54.58035659790039 1518.2041015625 44.043479919433594 1518.48828125 23.34722137451172 1518.89208984375 174.10079956054688 1520.559326171875 5.017857074737549 1521.8590087890625 1517.6195068359375 1521.9920654296875 131.39674377441406 1522.8616943359375 1377.50732421875 1523.024658203125 26.04347801208496 1523.3070068359375 58.556819915771484 1523.7164306640625 52.69190216064453 1523.8603515625 308.00225830078125 1524.0958251953125 30.72058868408203 1524.1905517578125 22.816667556762695 1524.3597412109375 16.625 1524.4656982421875 9.446428298950195 1527.7318115234375 11.284090995788574 1532.1585693359375 9.240385055541992 1538.8983154296875 108.89180755615234 1549.0311279296875 27.907258987426758 1552.0263671875 29.450000762939453 1554.1671142578125 29.893518447875977 1565.8944091796875 97.67361450195312 1566.0526123046875 20.149999618530273 1566.9088134765625 52.125 1567.8668212890625 50.14814758300781 1577.3272705078125 12.053571701049805 1590.921142578125 32.92045593261719 1602.8468017578125 31.43214225769043 1607.9515380859375 135.5208282470703 1610.8485107421875 9.25 1616.9339599609375 421.557373046875 1617.3597412109375 20.65441131591797 1617.9378662109375 603.021484375 1618.0638427734375 6.0 1618.9158935546875 14.019230842590332 1626.96142578125 242.3878173828125 1627.9605712890625 494.1744079589844 1628.95166015625 131.61734008789062 1629.061279296875 8.166666984558105 1633.9376220703125 131.29808044433594 1634.94580078125 2962.036376953125 1635.0706787109375 59.90131759643555 1635.1639404296875 18.183822631835938 1635.3756103515625 50.1003532409668 1635.6629638671875 35.64500045776367 1635.7664794921875 60.25925827026367 1635.9461669921875 2377.815185546875 1636.1922607421875 21.454545974731445 1636.3433837890625 7.1022725105285645 1636.427734375 22.01785659790039 1636.5823974609375 26.88888931274414 1636.9605712890625 382.0023498535156 1637.1494140625 21.487903594970703 1637.228515625 15.0 1637.310546875 19.321428298950195 1637.4639892578125 21.225000381469727 1638.598388671875 17.25 1638.7158203125 15.571428298950195 1639.2806396484375 8.284090995788574 1642.4879150390625 41.564815521240234 1651.58203125 68.1328125 1656.732666015625 112.13870239257812 1675.28515625 35.573978424072266 1731.3310546875 45.125 1754.8480224609375 46.4934196472168 1821.0218505859375 39.306819915771484 1822.0279541015625 37.21120834350586 1823.8548583984375 5.041666507720947 1828.126953125 47.969261169433594 1858.943603515625 21.487903594970703 1915.4049072265625 15.0 END IONS BEGIN IONS TITLE=CCMSLIB00005723258 PEPMASS=941.54539 CHARGE=2 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=40.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_C2_Gramicidin.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Gramicidin_40eV [M+2H]2+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=C[C@@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC7=CNC8=CC=CC=C87)C(=O)NCCO)NC(=O)CNC(=O)[C@H](C(C)C)NC=O INCHI=InChI=1S/C99H140N20O17/c1-51(2)37-73(109-86(123)59(17)107-81(122)49-105-96(133)82(55(9)10)106-50-121)89(126)108-60(18)87(124)117-84(57(13)14)98(135)119-85(58(15)16)99(136)118-83(56(11)12)97(134)116-80(44-64-48-104-72-34-26-22-30-68(64)72)95(132)112-76(40-54(7)8)92(129)115-79(43-63-47-103-71-33-25-21-29-67(63)71)94(131)111-75(39-53(5)6)91(128)114-78(42-62-46-102-70-32-24-20-28-66(62)70)93(130)110-74(38-52(3)4)90(127)113-77(88(125)100-35-36-120)41-61-45-101-69-31-23-19-27-65(61)69/h19-34,45-48,50-60,73-80,82-85,101-104,120H,35-44,49H2,1-18H3,(H,100,125)(H,105,133)(H,106,121)(H,107,122)(H,108,126)(H,109,123)(H,110,130)(H,111,131)(H,112,132)(H,113,127)(H,114,128)(H,115,129)(H,116,134)(H,117,124)(H,118,136)(H,119,135)/t59-,60-,73+,74+,75+,76+,77-,78-,79-,80-,82-,83-,84+,85-/m0/s1 INCHIAUX=ZWCXYZRRTRDGQE-SORVKSEFSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723258 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723258 SCANS=334624 62.05991744995117 824.7462768554688 62.09751510620117 9.142857551574707 62.453758239746094 21.0625 70.02845764160156 61.480262756347656 72.04440307617188 702.0201416015625 72.08081817626953 1586.462890625 72.11237335205078 12.666666984558105 72.61702728271484 13.0 74.05965423583984 140.6034698486328 74.07720184326172 11.009614944458008 83.04910278320312 50.875 85.84703826904297 54.06617736816406 86.09638214111328 10710.2421875 86.1388931274414 97.31428527832031 86.17546844482422 17.100000381469727 86.20731353759766 34.025001525878906 86.44645690917969 18.02083396911621 86.49166107177734 38.01250076293945 86.54534912109375 48.841217041015625 87.09994506835938 452.0941162109375 87.13548278808594 10.01388931274414 87.79151153564453 28.271739959716797 100.03874969482422 164.47674560546875 100.07555389404297 99.77564239501953 100.799072265625 75.97297668457031 101.07073974609375 272.39520263671875 113.10649108886719 259.71875 113.1279296875 18.125 115.05481719970703 708.6512451171875 115.10396575927734 27.26630401611328 117.05738067626953 164.01351928710938 118.06716918945312 83.56410217285156 119.33063507080078 36.69551467895508 124.52892303466797 41.3125 126.13143920898438 44.48214340209961 127.08562469482422 325.1975402832031 128.07034301757812 1597.8050537109375 128.11520385742188 8.160714149475098 130.06549072265625 3205.84423828125 130.1095733642578 35.599998474121094 130.54010009765625 12.006579399108887 131.06600952148438 167.8776092529297 132.0806884765625 2634.864013671875 132.13490295410156 18.160715103149414 132.4833984375 17.076923370361328 133.0841064453125 149.76046752929688 134.08554077148438 266.906982421875 135.67604064941406 72.64361572265625 141.1022186279297 3274.5576171875 141.14845275878906 38.28571319580078 142.06756591796875 104.0078125 142.10385131835938 488.20782470703125 142.1525115966797 21.360294342041016 143.1178436279297 1002.5148315429688 143.19537353515625 9.074999809265137 143.66502380371094 7.160714149475098 144.08035278320312 564.9408569335938 144.1357421875 12.28125 144.3904266357422 15.266304016113281 144.541015625 48.969261169433594 144.6576385498047 13.44444465637207 145.07545471191406 77.01844024658203 146.08375549316406 93.76041412353516 155.11607360839844 65.56410217285156 155.4906463623047 18.100807189941406 156.04197692871094 134.36842346191406 157.0967254638672 53.04545593261719 157.13229370117188 144.25262451171875 158.0600128173828 200.71751403808594 159.09141540527344 24210.97265625 159.17105102539062 101.00716400146484 159.245361328125 25.72844886779785 159.29754638671875 89.4000015258789 159.35951232910156 27.266666412353516 159.37892150878906 62.79999923706055 159.45872497558594 61.889286041259766 159.4735565185547 22.204545974731445 159.64016723632812 7.199999809265137 159.74546813964844 26.5 159.8199005126953 28.1875 160.07228088378906 158.80072021484375 160.09445190429688 2123.000244140625 160.26817321777344 29.032142639160156 161.0980224609375 55.75 161.95704650878906 22.44499969482422 167.07363891601562 40.15705108642578 169.07736206054688 177.08680725097656 170.05938720703125 2226.837890625 170.1083526611328 25.69230842590332 170.3701934814453 7.1022725105285645 170.73167419433594 23.285715103149414 171.0919952392578 230.67770385742188 171.11256408691406 1395.1651611328125 171.149658203125 247.3469696044922 171.182373046875 15.889705657958984 172.1166534423828 297.06378173828125 179.97036743164062 26.066177368164062 180.10118103027344 39.206634521484375 181.0769805908203 164.6125030517578 183.09144592285156 208.11341857910156 184.1077880859375 32.344512939453125 185.091796875 7674.63671875 185.12603759765625 1212.4581298828125 185.1642608642578 166.57647705078125 185.20870971679688 11.68055534362793 185.47589111328125 24.02083396911621 185.78407287597656 40.05482482910156 186.09405517578125 133.2873077392578 186.12557983398438 157.45687866210938 186.52316284179688 12.0 187.0869140625 1526.8936767578125 187.1400146484375 13.125 187.2494659423828 33.011905670166016 187.93902587890625 16.183822631835938 188.03030395507812 21.33333396911621 188.08758544921875 140.44003295898438 192.6426544189453 62.13793182373047 193.92233276367188 14.142857551574707 195.09291076660156 66.31521606445312 196.14328002929688 42.191036224365234 198.45066833496094 9.074999809265137 199.14369201660156 601.9266357421875 200.14256286621094 399.4533386230469 201.1405487060547 113.25521087646484 201.6734619140625 21.454545974731445 203.11773681640625 447.33953857421875 203.19398498535156 9.0 203.2137908935547 22.140625 203.6739044189453 12.375 204.11245727539062 603.0411987304688 205.1131591796875 96.70833587646484 205.5694122314453 11.0 206.29287719726562 69.73611450195312 210.1248779296875 467.7919616699219 211.09561157226562 239.19366455078125 211.17909240722656 78.25 213.14080810546875 183.50851440429688 213.15838623046875 336.6147766113281 213.22952270507812 22.390625 214.0945587158203 141.32003784179688 214.14610290527344 119.28408813476562 214.24684143066406 46.224998474121094 214.97674560546875 23.02083396911621 215.1551513671875 79.15384674072266 223.14866638183594 116.09091186523438 225.13690185546875 202.27810668945312 225.15576171875 186.14569091796875 225.49444580078125 9.142857551574707 225.56747436523438 19.26630401611328 226.87442016601562 42.025001525878906 227.15487670898438 1252.057861328125 227.2158660888672 20.5625 227.8103485107422 18.005434036254883 228.13375854492188 10295.3095703125 228.22982788085938 24.0108699798584 228.29978942871094 29.197580337524414 228.44091796875 14.008333206176758 228.7120361328125 9.449999809265137 228.99661254882812 37.662235260009766 229.13710021972656 1107.4669189453125 229.16592407226562 122.55681610107422 229.22067260742188 49.77941131591797 229.40631103515625 23.02777862548828 230.12802124023438 604.0050048828125 231.1127471923828 13795.912109375 231.25094604492188 22.0625 231.2816619873047 11.77884578704834 231.409423828125 47.9869384765625 231.43614196777344 68.13333129882812 231.46226501464844 37.960105895996094 231.51966857910156 43.760135650634766 232.1171875 1203.7515869140625 232.18389892578125 19.125 232.2447509765625 45.00961685180664 232.9862060546875 43.06428527832031 237.1351776123047 191.30250549316406 238.1191864013672 714.0596923828125 238.20413208007812 8.086538314819336 239.15406799316406 672.2517700195312 239.1717071533203 362.1146240234375 239.20626831054688 116.71102142333984 239.78114318847656 25.899999618530273 240.21273803710938 46.00265884399414 241.1324920654297 86.47406005859375 242.05824279785156 7.4464287757873535 242.1495361328125 101.93421173095703 242.18516540527344 237.5471649169922 242.7056121826172 16.2450008392334 245.575927734375 18.2450008392334 245.7390899658203 20.132352828979492 246.1252899169922 99.3223648071289 248.13929748535156 16422.11328125 248.21127319335938 127.65650939941406 248.25189208984375 50.0625 248.3260040283203 8.284090995788574 248.34848022460938 33.69551467895508 248.36988830566406 49.0229606628418 248.50120544433594 18.0 248.56744384765625 43.644737243652344 248.60926818847656 50.51024627685547 248.71441650390625 48.573978424072266 248.7977294921875 134.8116455078125 248.85023498535156 14.347222328186035 248.9174041748047 55.02941131591797 249.091796875 63.70833206176758 249.14244079589844 1420.697509765625 250.14102172851562 111.33197021484375 253.11509704589844 11.11111068725586 253.1564483642578 90.05357360839844 254.16232299804688 58.79999923706055 254.30979919433594 31.360000610351562 255.14784240722656 1167.3878173828125 255.2254638671875 8.284090995788574 255.31863403320312 20.107759475708008 256.09063720703125 23.02777862548828 256.1292419433594 62819.96875 256.42254638671875 90.44000244140625 256.44183349609375 59.074790954589844 256.47418212890625 27.007352828979492 256.56884765625 48.195186614990234 256.6120300292969 96.47720336914062 256.6470031738281 46.814815521240234 256.6775817871094 29.013540267944336 256.72613525390625 61.025001525878906 256.7870178222656 40.44444274902344 256.80596923828125 35.61058807373047 256.8388977050781 42.36111068725586 256.8851623535156 11.47115421295166 256.9190979003906 11.0 256.97198486328125 13.25 257.06439208984375 85.47093200683594 257.1320495605469 4671.994140625 257.2029113769531 33.04499816894531 257.2572937011719 30.671297073364258 257.36383056640625 28.125 257.58843994140625 37.265625 257.88287353515625 30.25 258.1317443847656 379.09515380859375 258.158935546875 652.7846069335938 258.2447814941406 9.449999809265137 258.43572998046875 31.0 258.4744873046875 20.363636016845703 258.73583984375 35.875 261.986572265625 29.024999618530273 265.6531982421875 8.347222328186035 265.95062255859375 25.89285659790039 267.1617431640625 111.00125885009766 267.20703125 155.1591796875 268.14300537109375 82.02222442626953 268.2113037109375 63.02631759643555 269.1627502441406 151.13636779785156 270.1151123046875 91.90086364746094 270.1446838378906 152.15647888183594 270.18023681640625 2067.163818359375 270.3069763183594 19.0 270.7940673828125 50.24137878417969 270.81597900390625 8.347222328186035 271.1213073730469 360.1005859375 271.18145751953125 142.97561645507812 272.1072082519531 97.14746856689453 272.1756591796875 8989.51171875 272.2379150390625 82.01190185546875 272.4864501953125 18.375 272.573486328125 36.281978607177734 272.649658203125 22.57065200805664 272.7205505371094 32.599998474121094 272.7801513671875 7.009615421295166 272.88421630859375 49.28571319580078 273.1060485839844 32.400001525878906 273.13629150390625 172.21917724609375 273.1781311035156 1268.506103515625 273.2678527832031 9.011363983154297 273.33099365234375 47.419776916503906 274.1412658691406 35.19047546386719 277.9892272949219 33.07143020629883 278.1524963378906 66.04310607910156 280.1064758300781 39.51524353027344 280.17291259765625 102.24871063232422 280.6124267578125 12.009614944458008 280.6304626464844 8.25 281.16131591796875 78.16609954833984 281.1848449707031 320.346923828125 281.22222900390625 88.28030395507812 282.1593933105469 779.2188110351562 282.178955078125 576.087646484375 282.3223876953125 14.163461685180664 282.6111755371094 42.043479919433594 282.7746276855469 24.235294342041016 282.84698486328125 21.0 283.0870056152344 154.4898681640625 283.1475830078125 1027.938232421875 283.2127380371094 22.799999237060547 283.3121032714844 39.17161178588867 283.914794921875 36.73611068725586 283.9554138183594 87.00116729736328 284.14434814453125 295.0801086425781 284.1968994140625 1682.0670166015625 284.2603454589844 17.5 284.33148193359375 7.4464287757873535 284.60528564453125 21.107759475708008 285.1977233886719 99.77884674072266 285.9845275878906 72.13224792480469 286.1549377441406 3206.219970703125 286.39276123046875 24.840909957885742 286.549072265625 114.16375732421875 287.1581726074219 541.25 287.45123291015625 34.96195602416992 294.18157958984375 109.38941955566406 295.2468566894531 8.25 296.13946533203125 43.016666412353516 296.1712951660156 141.44467163085938 296.1947937011719 646.823974609375 296.2443542480469 30.560184478759766 296.4779968261719 15.041666984558105 296.67132568359375 22.961956024169922 298.1726989746094 215.0487823486328 298.2101745605469 329.0686950683594 299.18707275390625 333.0491638183594 300.0702819824219 38.46106719970703 300.1705017089844 25385.224609375 300.3229675292969 16.08333396911621 300.39520263671875 16.0 300.4192810058594 18.048913955688477 300.4396057128906 81.76923370361328 300.497802734375 40.014705657958984 300.563720703125 22.004310607910156 300.6058654785156 14.03125 300.6961975097656 50.0 300.7205505371094 79.03704071044922 300.7898254394531 27.36111068725586 300.8253479003906 59.58035659790039 300.86480712890625 16.005952835083008 300.92462158203125 25.69230842590332 300.95440673828125 17.240385055541992 301.17413330078125 2538.4541015625 301.2564392089844 11.0 301.36492919921875 19.038793563842773 301.4246520996094 12.675000190734863 301.72894287109375 30.01785659790039 302.1769104003906 54.25 302.6865539550781 28.066490173339844 303.1832580566406 113.640625 304.1539306640625 79.64096069335938 304.956298828125 19.446428298950195 308.17266845703125 14.5328950881958 309.1692199707031 178.48251342773438 310.1563415527344 672.8514404296875 310.566650390625 14.208333015441895 310.62799072265625 33.002777099609375 311.1177978515625 36.125 312.16815185546875 674.7167358398438 312.2041931152344 399.4832458496094 312.2231750488281 245.1228790283203 312.2887268066406 11.142857551574707 312.58392333984375 12.675000190734863 313.18450927734375 178.5528106689453 314.1463928222656 67.33499908447266 314.1962890625 88.04166412353516 317.1966247558594 269.6785583496094 318.17742919921875 107.29109954833984 322.1556701660156 89.90028381347656 323.2079162597656 173.15890502929688 323.35870361328125 32.485294342041016 324.1697082519531 123.13845825195312 326.1880187988281 33.939517974853516 326.21893310546875 508.24969482421875 327.208740234375 54.165985107421875 327.2428283691406 175.7799072265625 328.141357421875 145.19480895996094 328.17669677734375 8.035714149475098 330.1441650390625 166.2608642578125 332.1709899902344 77.015625 333.19622802734375 76.16000366210938 334.1549072265625 33.5625 336.2061767578125 115.82691955566406 338.12750244140625 255.00486755371094 338.1473693847656 122.45370483398438 338.1991882324219 25.923076629638672 338.2417297363281 93.18408966064453 338.4465637207031 19.1875 338.6130676269531 57.59221267700195 338.8948669433594 44.83695602416992 339.1822509765625 123.27305603027344 339.2381286621094 89.59259033203125 340.13250732421875 68.84121704101562 340.2005615234375 566.4142456054688 340.2372741699219 809.3440551757812 341.2192687988281 3025.224609375 341.2524108886719 892.0997924804688 341.43841552734375 58.778846740722656 341.725341796875 10.142857551574707 341.8664855957031 14.006579399108887 342.21875 520.84814453125 342.25439453125 208.57237243652344 343.2136535644531 1563.6849365234375 343.31353759765625 9.160714149475098 344.21466064453125 71.22222137451172 345.168701171875 245.09091186523438 345.2200012207031 130.00128173828125 345.3423156738281 24.066667556762695 346.16912841796875 63.52381134033203 350.33154296875 35.30882263183594 351.19775390625 484.1636047363281 352.16473388671875 51.40833282470703 352.20556640625 136.5 352.2352294921875 78.25635528564453 352.5556335449219 13.595588684082031 352.9990234375 34.25 353.2147521972656 208.00250244140625 354.217529296875 903.1697998046875 354.2760925292969 8.01388931274414 354.6186828613281 24.100807189941406 355.17535400390625 138.66958618164062 355.2336120605469 347.2790832519531 355.26873779296875 531.716064453125 355.33837890625 12.11111068725586 355.3768310546875 23.125 355.89495849609375 29.761905670166016 356.00634765625 22.125 356.2746887207031 108.45454406738281 357.14520263671875 73.06127166748047 357.1925354003906 418.9439392089844 358.18536376953125 117.03845977783203 358.3952331542969 10.03125 361.1897277832031 167.29705810546875 361.22314453125 1150.4268798828125 361.3031005859375 7.083333492279053 362.152099609375 30.00337791442871 362.22845458984375 131.0425262451172 364.16680908203125 78.8108139038086 366.27410888671875 68.00657653808594 366.5599060058594 12.360294342041016 366.73284912109375 49.91666793823242 367.17047119140625 59.45833206176758 367.2331848144531 125.56517028808594 368.2318420410156 721.8820190429688 368.4597473144531 88.7755355834961 368.5171203613281 31.004629135131836 369.0218505859375 27.339284896850586 369.12847900390625 113.08173370361328 369.2135009765625 69043.5390625 369.63323974609375 42.178951263427734 369.67138671875 43.074649810791016 369.70855712890625 43.46506118774414 369.7329406738281 80.72618865966797 369.77142333984375 112.5 369.8353576660156 31.651756286621094 369.8748779296875 130.455810546875 369.9560852050781 66.04000091552734 370.01104736328125 39.909339904785156 370.03900146484375 81.0 370.0785827636719 40.0 370.1251220703125 57.040000915527344 370.2165222167969 8980.0341796875 370.3064270019531 74.08928680419922 370.3511962890625 72.49342346191406 370.379150390625 71.9473648071289 370.41253662109375 74.8373031616211 370.44317626953125 79.84221649169922 370.45953369140625 52.003047943115234 370.5396728515625 31.036291122436523 370.6526184082031 24.375 370.7030334472656 50.91755294799805 370.8003845214844 13.059210777282715 370.84942626953125 47.125 370.9490966796875 87.02104187011719 370.9892883300781 22.5 371.0213623046875 22.29166603088379 371.0929260253906 21.78125 371.21368408203125 293.8097839355469 371.2432556152344 166.67222595214844 371.3221435546875 19.480770111083984 371.5242919921875 19.339284896850586 371.5561828613281 50.67499923706055 371.72607421875 26.326923370361328 372.2656555175781 37.4879035949707 372.7264404296875 20.89285659790039 373.1659240722656 1367.4404296875 373.24896240234375 8.125 373.9431457519531 8.0625 374.1647644042969 169.2223663330078 374.30615234375 17.360294342041016 377.22088623046875 64.71428680419922 378.2124328613281 22.08445930480957 379.7220458984375 32.7613639831543 379.7740173339844 11.005952835083008 382.21002197265625 105.96163177490234 383.214111328125 64.72889709472656 383.2663879394531 1278.163330078125 383.3555603027344 11.166666984558105 383.42340087890625 15.027777671813965 384.2688293457031 434.6533203125 385.16192626953125 85.38021087646484 385.1849365234375 54.19047546386719 385.22259521484375 931.0819091796875 385.2566833496094 152.84051513671875 385.43634033203125 11.5625 385.5621337890625 34.69551467895508 386.2256164550781 147.0749969482422 393.215576171875 56.76785659790039 394.2428283691406 113.37317657470703 395.1893310546875 152.51609802246094 395.24420166015625 357.448974609375 396.1672058105469 49.100807189941406 396.2024230957031 32.014705657958984 396.24566650390625 221.0874481201172 396.2855529785156 29.5625 397.2469482421875 99.0297622680664 397.2838439941406 77.11918640136719 398.2518615722656 57.58064651489258 399.23822021484375 3681.734619140625 399.79095458984375 16.56818199157715 400.2404479980469 1111.946533203125 400.3326110839844 23.032142639160156 400.9234924316406 34.224998474121094 400.9581604003906 31.024999618530273 401.1597595214844 110.01264190673828 402.524169921875 38.5113639831543 407.23748779296875 44.20500183105469 407.3034362792969 33.019229888916016 408.21746826171875 59.36742401123047 409.2232666015625 221.04124450683594 409.28125 205.4898681640625 410.2874755859375 31.8810977935791 411.294189453125 116.01630401611328 411.7169189453125 41.04941940307617 411.89971923828125 29.18181800842285 412.20281982421875 42.4766960144043 412.2579345703125 485.0622863769531 412.3297119140625 19.019229888916016 413.2547607421875 7253.0068359375 413.4092102050781 38.20000076293945 413.7408752441406 37.570945739746094 413.87109375 38.20833206176758 413.9602966308594 29.803571701049805 414.08380126953125 11.75 414.2593994140625 1300.4747314453125 414.3700256347656 25.030405044555664 414.5202941894531 23.80500030517578 414.73675537109375 13.375 415.18328857421875 10.066176414489746 415.3106689453125 14.399999618530273 416.2634582519531 29.024999618530273 420.83013916015625 17.65441131591797 422.2392272949219 2029.5289306640625 422.3175048828125 14.005952835083008 422.4115295410156 41.555850982666016 423.2374572753906 656.1937866210938 423.35284423828125 8.009614944458008 423.4550476074219 9.800000190734863 424.202880859375 330.396728515625 425.2023010253906 150.2770233154297 425.3081970214844 149.67349243164062 426.0237121582031 89.63668060302734 426.1153564453125 22.02777862548828 426.2529602050781 180.7349395751953 427.2156066894531 562.76318359375 427.32745361328125 7.0 427.6146545410156 34.0113639831543 428.22796630859375 76.47947692871094 428.37615966796875 24.0 429.2701110839844 132.22314453125 430.1846923828125 71.34027862548828 434.1024169921875 39.130435943603516 435.216552734375 40.026161193847656 437.2281799316406 13.920454978942871 437.25494384765625 186.0679473876953 437.30828857421875 230.95040893554688 438.2538146972656 66.29762268066406 438.3158874511719 59.6328125 439.2677917480469 461.89520263671875 439.8215026855469 30.011363983154297 439.92413330078125 61.05882263183594 440.15655517578125 18.0 440.2504577636719 67410.984375 440.6863098144531 32.224998474121094 440.7147216796875 109.87217712402344 440.75494384765625 99.61734771728516 440.80084228515625 99.07040405273438 440.8271179199219 44.2090950012207 440.86761474609375 61.70168685913086 440.9219970703125 31.424652099609375 440.9730224609375 50.69926071166992 441.0245666503906 76.30867004394531 441.0531005859375 18.02777862548828 441.1011047363281 119.70394897460938 441.1629638671875 32.52155303955078 441.2530822753906 11053.9208984375 441.3245544433594 306.55792236328125 441.35394287109375 130.0291290283203 441.41058349609375 32.150001525878906 441.4469909667969 19.100807189941406 441.5788879394531 39.21120834350586 441.62939453125 63.024391174316406 441.68048095703125 44.384090423583984 441.7242736816406 20.01785659790039 441.7765808105469 61.925926208496094 441.81915283203125 61.27840805053711 441.96551513671875 67.15576934814453 442.0270690917969 22.25 442.2474365234375 1137.2939453125 442.3302307128906 16.066177368164062 442.35943603515625 15.004630088806152 442.4533386230469 15.0625 442.4836120605469 50.47058868408203 442.52935791015625 33.22282791137695 442.56390380859375 30.04166603088379 442.8297119140625 83.46428680419922 442.8926696777344 12.035714149475098 442.94390869140625 19.004310607910156 443.1903076171875 64.25 443.4490051269531 40.9388313293457 443.902587890625 30.066667556762695 444.2387390136719 112.35713958740234 444.2914123535156 79.64554595947266 449.31060791015625 79.0608139038086 450.81024169921875 13.920454978942871 451.21636962890625 254.1160125732422 451.25628662109375 150.9387969970703 452.12628173828125 8.0 453.086669921875 32.09375 453.2860107421875 444.44989013671875 453.43292236328125 24.44444465637207 454.24560546875 98.23213958740234 454.30072021484375 724.6651611328125 455.241943359375 99.76005554199219 455.282958984375 12.556818008422852 455.3365478515625 56.16071319580078 456.040771484375 17.657608032226562 456.2623291015625 372.4064025878906 456.3021545410156 342.73724365234375 458.255615234375 222.51280212402344 464.3215026855469 83.71627044677734 465.0500183105469 9.102272987365723 466.3018798828125 43.26041793823242 466.3333435058594 60.00833511352539 467.29949951171875 627.2847290039062 467.3818054199219 11.208333015441895 467.6070251464844 17.03125 468.2588806152344 547.4576416015625 468.3039245605469 264.456787109375 468.47222900390625 11.074999809265137 468.8957214355469 7.625 469.22247314453125 593.6205444335938 469.38836669921875 24.328947067260742 470.2762756347656 601.3369140625 470.30841064453125 274.48101806640625 471.2590637207031 78.65097045898438 472.2337646484375 424.62847900390625 472.32196044921875 33.400001525878906 473.1808776855469 21.125 473.23138427734375 139.5955810546875 475.98663330078125 15.25 476.2874755859375 132.89772033691406 477.2833251953125 55.35805130004883 477.8218078613281 15.0 478.22979736328125 74.45161437988281 478.28564453125 53.324153900146484 480.3161315917969 121.89090728759766 481.2943420410156 181.0500030517578 482.27685546875 384.3464660644531 482.3316345214844 566.8817138671875 482.8721923828125 22.5625 483.302978515625 63.061275482177734 483.3348083496094 191.5749969482422 484.23577880859375 259.5648193359375 484.2916259765625 390.9248352050781 484.3171081542969 367.16119384765625 485.2348327636719 9.160714149475098 485.2618713378906 214.9130401611328 485.2982177734375 165.9375 485.3328857421875 280.2491760253906 485.4156799316406 7.75 486.24969482421875 11945.6640625 486.33465576171875 92.55603790283203 486.5984191894531 24.07621955871582 486.6903076171875 24.285715103149414 486.8674621582031 70.07020568847656 486.9478454589844 15.5625 487.2539367675781 1992.8209228515625 487.3647155761719 15.020833015441895 487.426025390625 11.11111068725586 487.8482971191406 75.8778076171875 487.93463134765625 21.840909957885742 488.2529602050781 289.53314208984375 490.2623291015625 72.6022720336914 491.38336181640625 14.0 492.06768798828125 51.6328125 492.2632141113281 218.1260528564453 492.3065185546875 14.011363983154297 493.3114318847656 395.5457458496094 493.3776550292969 12.166666984558105 493.8909606933594 10.0 494.3195495605469 293.90130615234375 494.6461486816406 10.920454978942871 496.2322692871094 268.3491516113281 496.35369873046875 25.5 497.2829284667969 89.01960754394531 498.26495361328125 34.471153259277344 498.30694580078125 2316.150390625 498.4118957519531 16.0049991607666 499.0245056152344 10.008333206176758 499.311279296875 223.20252990722656 500.2624206542969 103.2249984741211 500.3131103515625 26.226852416992188 502.2747497558594 61.6173095703125 503.27679443359375 482.0017395019531 504.2828063964844 96.1689224243164 505.3977966308594 73.01210021972656 508.29046630859375 77.09091186523438 508.3475036621094 78.11265563964844 509.32537841796875 106.65325927734375 510.2729797363281 29.92628288269043 510.305908203125 427.65069580078125 510.9398193359375 10.240385055541992 511.2779846191406 146.10015869140625 511.3219909667969 998.192626953125 511.403076171875 21.038793563842773 512.3235473632812 1075.7108154296875 512.429931640625 10.25 512.8018188476562 16.00657844543457 513.3260498046875 487.87640380859375 513.407470703125 14.03125 513.4445190429688 9.284090995788574 514.2454223632812 179.6611785888672 514.3298950195312 255.04937744140625 514.7301635742188 22.45833396911621 518.2415161132812 126.125 520.30029296875 156.5833282470703 521.3089599609375 2066.24072265625 521.422119140625 9.333333015441895 522.0746459960938 16.44444465637207 522.2833862304688 150.29103088378906 522.3086547851562 241.8956298828125 522.3765258789062 7.083333492279053 522.7020263671875 34.003204345703125 523.5518188476562 19.01785659790039 523.703369140625 11.571428298950195 524.3214721679688 165.3216094970703 525.2057495117188 15.0054349899292 525.2780151367188 131.23611450195312 525.3297729492188 162.25352478027344 525.380126953125 112.48076629638672 525.6196899414062 44.716270446777344 526.1115112304688 33.33796310424805 526.1930541992188 55.05232620239258 526.3372802734375 843.3012084960938 526.5198974609375 35.469444274902344 527.2745361328125 127.93888854980469 527.3286743164062 231.0801239013672 527.4448852539062 47.16345977783203 528.3370361328125 263.5119934082031 529.252197265625 11.875 529.295166015625 75.5078125 530.2769775390625 110.41020965576172 530.9671630859375 28.003047943115234 531.2978515625 84.06451416015625 532.2175903320312 100.84400939941406 533.2984008789062 107.0158462524414 534.0040283203125 31.3125 534.3114013671875 49.11136245727539 535.2325439453125 27.076923370361328 536.3221435546875 73.91737365722656 537.2855834960938 108.30816650390625 537.8311157226562 20.02083396911621 538.3367919921875 180.2820281982422 538.3707885742188 91.11136627197266 538.5637817382812 68.39024353027344 539.1116333007812 12.007352828979492 539.1979370117188 80.04741668701172 539.259521484375 62.42045593261719 539.318603515625 27113.62890625 539.5288696289062 19.560184478759766 539.6121215820312 7.347222328186035 539.697021484375 20.68055534362793 539.7811889648438 70.0078125 539.8639526367188 213.0404052734375 539.9038696289062 148.76596069335938 539.9585571289062 36.469444274902344 540.0311889648438 34.010868072509766 540.09912109375 14.125 540.1280517578125 26.297618865966797 540.1902465820312 33.005950927734375 540.3214721679688 6939.5830078125 540.4668579101562 42.15705108642578 540.8154296875 28.657608032226562 540.8587036132812 55.9262809753418 540.9329223632812 44.720237731933594 541.0423583984375 7.5625 541.2099609375 17.005952835083008 541.323974609375 618.6050415039062 541.38818359375 24.782407760620117 541.48486328125 42.08088302612305 541.5735473632812 9.142857551574707 542.3479614257812 113.43524169921875 543.267333984375 189.3333282470703 543.3005981445312 248.4915313720703 543.4257202148438 7.199999809265137 544.27099609375 189.71485900878906 544.3651123046875 8.01388931274414 545.29052734375 69.125 546.295654296875 80.85969543457031 547.3024291992188 988.008544921875 547.424072265625 8.284090995788574 547.71044921875 24.0 548.3086547851562 517.0016479492188 549.1213989257812 18.889705657958984 549.3107299804688 69.01190185546875 550.273193359375 217.41014099121094 552.35400390625 157.765625 552.9378662109375 10.050000190734863 553.3106689453125 152.0808868408203 553.371826171875 150.06063842773438 553.7302856445312 17.29166603088379 554.3121948242188 3022.011474609375 554.4086303710938 32.0 554.4413452148438 7.125 554.6376342773438 25.387821197509766 555.1856689453125 21.038793563842773 555.2684936523438 86.16666412353516 555.320556640625 1424.7381591796875 555.439453125 10.03125 555.5860595703125 23.035715103149414 555.6265258789062 22.532894134521484 556.2579956054688 7.1022725105285645 556.3308715820312 367.488037109375 556.4136352539062 28.089284896850586 557.2919311523438 216.0892791748047 557.3229370117188 1393.259521484375 557.4133911132812 22.0 557.5445556640625 9.086538314819336 557.6353149414062 47.96154022216797 557.99560546875 16.100000381469727 558.09521484375 20.22282600402832 558.3289794921875 374.7259521484375 559.2388305664062 85.04521179199219 560.1221313476562 21.0 560.6729125976562 7.0 564.2935791015625 416.2326965332031 564.315185546875 222.18382263183594 565.3282470703125 54.24795150756836 565.3699340820312 51.75 565.415283203125 11.571428298950195 566.3693237304688 818.9935302734375 566.4928588867188 7.125 566.6333618164062 21.0049991607666 566.7242431640625 12.142857551574707 567.327392578125 371.1136474609375 567.3597412109375 186.02499389648438 567.493408203125 23.30769157409668 567.5551147460938 48.0113639831543 568.2882690429688 267.01123046875 568.3301391601562 219.1999969482422 569.3392944335938 626.267333984375 569.3792724609375 205.22010803222656 569.588134765625 29.034090042114258 569.8333129882812 246.22457885742188 570.3086547851562 62.15999984741211 570.3445434570312 323.7814025878906 571.2716674804688 30.072673797607422 571.3380737304688 2637.27392578125 571.570556640625 23.765625 571.8514404296875 21.69444465637207 572.26806640625 25.210525512695312 572.3373413085938 433.76190185546875 572.916259765625 18.363636016845703 573.3300170898438 84.00227355957031 576.3685302734375 26.25 576.4354248046875 21.454545974731445 576.512451171875 27.284090042114258 577.33935546875 58.77777862548828 579.3270874023438 90.71428680419922 579.3651123046875 203.07843017578125 580.3457641601562 30.011905670166016 580.3792724609375 53.03571319580078 581.3314819335938 525.7213745117188 581.8033447265625 34.81666564941406 582.3162231445312 324.756103515625 582.3992309570312 67.32894897460938 583.3102416992188 217.53846740722656 583.3545532226562 146.44117736816406 583.3933715820312 100.02631378173828 584.3943481445312 149.10714721679688 585.3182373046875 3082.420166015625 585.4110717773438 20.571428298950195 585.4513549804688 11.009614944458008 585.972412109375 23.149999618530273 586.3206787109375 442.8912048339844 586.8385620117188 30.003787994384766 587.1498413085938 31.153846740722656 587.8736572265625 39.026161193847656 591.382080078125 30.405000686645508 592.3843383789062 217.25454711914062 592.4912719726562 72.28166961669922 592.5810546875 34.59840393066406 593.3843383789062 34.04999923706055 593.8106689453125 36.43214416503906 594.3748779296875 71.07499694824219 595.2229614257812 152.01785278320312 595.299072265625 25.360294342041016 595.335205078125 124.7398681640625 596.3031616210938 56.67856979370117 596.3929443359375 25.796052932739258 596.8667602539062 167.00775146484375 597.3165893554688 107.05420684814453 597.3779296875 433.89044189453125 597.928466796875 11.77884578704834 598.35009765625 124.29017639160156 598.3831787109375 115.31410217285156 599.2603759765625 29.68145179748535 599.3338623046875 9790.123046875 599.4817504882812 80.01323699951172 599.5582885742188 47.03571319580078 599.6216430664062 109.28408813476562 599.7234497070312 36.19117736816406 599.8729858398438 15.004630088806152 599.9093627929688 72.5562515258789 599.9906005859375 20.16666603088379 600.0601196289062 30.644737243652344 600.1116943359375 9.074999809265137 600.2838745117188 130.30882263183594 600.3403930664062 2151.45556640625 600.4659423828125 27.57065200805664 600.5062866210938 23.77777862548828 600.6385498046875 51.215518951416016 600.709716796875 13.163461685180664 600.7747802734375 35.21542739868164 600.8262939453125 13.050000190734863 601.1682739257812 20.454545974731445 601.2939453125 11.050000190734863 601.3350830078125 150.36170959472656 602.8462524414062 100.65597534179688 603.0068359375 31.002273559570312 603.228515625 21.390625 603.3513793945312 146.80357360839844 605.9383544921875 42.85714340209961 607.370849609375 90.33333587646484 608.4334106445312 15.011363983154297 609.2166137695312 51.531864166259766 609.3154296875 302.2315673828125 609.3795776367188 73.54449462890625 610.2785034179688 160.62765502929688 610.3155517578125 89.56143951416016 610.34521484375 81.0 610.3934326171875 356.57763671875 611.2879638671875 128.30615234375 611.3922729492188 638.131591796875 611.4695434570312 22.375 612.3753662109375 256.51519775390625 612.484375 14.889705657958984 613.050537109375 20.005434036254883 613.291259765625 121.05681610107422 615.3471069335938 50.727272033691406 616.363525390625 170.03172302246094 617.2793579101562 26.803571701049805 617.3656616210938 205.29884338378906 620.3790893554688 1052.76025390625 620.7353515625 31.88888931274414 621.029541015625 33.63999938964844 621.3072509765625 54.53260803222656 621.3778686523438 178.6679229736328 622.3865966796875 44.72844696044922 623.3362426757812 142.12013244628906 623.3897094726562 346.1975402832031 624.3970336914062 178.843017578125 625.3468017578125 58.91666793823242 625.3787231445312 237.85345458984375 625.4513549804688 11.125 625.75439453125 15.020833015441895 626.2994384765625 134.0343475341797 626.3507690429688 78.56839752197266 626.4181518554688 55.720237731933594 626.6319580078125 21.2450008392334 627.3106689453125 848.4960327148438 628.312255859375 211.1627960205078 628.3551635742188 148.57095336914062 628.406494140625 16.29166603088379 630.1922607421875 21.016666412353516 637.3130493164062 390.1694030761719 637.3876953125 43.150001525878906 638.3873291015625 7563.47119140625 638.5612182617188 21.086538314819336 638.6060791015625 27.003047943115234 638.6411743164062 43.12009811401367 638.66748046875 30.00337791442871 638.7139892578125 29.399999618530273 638.9129028320312 25.008333206176758 638.96533203125 21.75 639.0009765625 35.00893020629883 639.0712280273438 29.54166603088379 639.3890991210938 1890.223388671875 639.50146484375 32.003570556640625 639.6199951171875 20.5 640.3892822265625 418.1157531738281 640.41748046875 495.9166564941406 641.0698852539062 15.75 641.3615112304688 160.69422912597656 641.8580322265625 54.90674591064453 642.3693237304688 282.0 642.8690795898438 23.02083396911621 642.9304809570312 78.13888549804688 643.0011596679688 52.230770111083984 644.3291015625 247.438232421875 644.4284057617188 14.135869979858398 645.336181640625 345.7697448730469 646.3394165039062 65.22368621826172 649.3932495117188 63.48484802246094 650.3458862304688 26.5 650.4365234375 95.00128936767578 651.307373046875 115.71646118164062 651.3658447265625 166.7563018798828 653.3822631835938 923.0833129882812 653.49560546875 8.0625 654.2503051757812 7.017857074737549 654.3397216796875 121.24889373779297 654.3836669921875 513.1039428710938 654.7427368164062 31.142240524291992 655.0599365234375 140.05335998535156 655.1387939453125 50.03571319580078 656.309814453125 92.23213958740234 656.353759765625 575.001220703125 656.3905639648438 229.1163787841797 657.3969116210938 228.98361206054688 657.5651245117188 30.900861740112305 658.30810546875 95.35640716552734 658.4136352539062 13.074999809265137 659.3263549804688 163.6863250732422 659.3843994140625 69.21551513671875 660.3868408203125 664.7268676757812 660.8981323242188 23.65441131591797 661.3923950195312 122.17646789550781 661.5894775390625 30.032142639160156 661.76806640625 16.066177368164062 661.8314819335938 33.79999923706055 664.0753173828125 54.86472702026367 664.4216918945312 93.66666412353516 665.4369506835938 156.49256896972656 665.993896484375 48.72793960571289 666.3406372070312 34.03409194946289 666.405029296875 241.074462890625 666.449951171875 110.24038696289062 666.7216796875 14.0 667.3973999023438 1046.2979736328125 667.5064697265625 7.017857074737549 667.7667236328125 20.02777862548828 667.8922729492188 14.25 667.9461059570312 7.009615421295166 668.3057861328125 109.11111450195312 668.3552856445312 282.7233581542969 668.4119873046875 1365.421142578125 668.9264526367188 29.66666603088379 669.3526611328125 117.125 669.42138671875 208.0 670.409423828125 843.505126953125 670.7182006835938 11.225000381469727 670.81201171875 19.204545974731445 671.0693969726562 17.446428298950195 671.1193237304688 37.003204345703125 671.3677368164062 205.85491943359375 671.40966796875 554.6743774414062 671.4811401367188 9.375 671.5809326171875 112.79629516601562 671.8197021484375 14.019230842590332 672.0087280273438 33.015625 672.3275756835938 1185.605712890625 672.4362182617188 7.199999809265137 673.3344116210938 153.2916717529297 673.576171875 42.247642517089844 673.8909912109375 13.408333778381348 674.1660766601562 69.03125 675.3886108398438 16.2450008392334 678.3970947265625 39.75 679.3978271484375 33.00833511352539 680.3892211914062 278.002685546875 680.533203125 19.094696044921875 681.3937377929688 52.06944274902344 682.4283447265625 169.02670288085938 683.3672485351562 60.266666412353516 683.46533203125 18.284090042114258 684.385009765625 1509.0372314453125 684.421142578125 964.2240600585938 684.53515625 13.199999809265137 684.6990356445312 27.77822494506836 685.0791625976562 22.076923370361328 685.3887939453125 491.6899108886719 685.6886596679688 10.47115421295166 686.1975708007812 38.10714340209961 686.3157958984375 38.449466705322266 686.4360961914062 18.284090042114258 686.916259765625 10.166666984558105 689.3560180664062 172.96078491210938 690.7440795898438 8.009614944458008 691.33740234375 36.0239372253418 691.4468994140625 33.00463104248047 691.51171875 44.107757568359375 691.9406127929688 20.011363983154297 693.4154663085938 69.33928680419922 694.40234375 336.9308166503906 694.7197265625 32.0 695.3695678710938 80.1716079711914 695.4091796875 202.0625 696.3952026367188 368.3518371582031 696.478759765625 48.15705108642578 696.6614379882812 21.211206436157227 697.38427734375 33.782405853271484 697.4331665039062 60.556819915771484 698.257568359375 39.367645263671875 698.3402099609375 44.209999084472656 698.4010620117188 3170.652587890625 698.5363159179688 61.16345977783203 698.7412109375 56.796051025390625 698.9581909179688 16.285715103149414 699.3330688476562 182.13636779785156 699.4081420898438 623.262451171875 700.6908569335938 16.440217971801758 700.8662109375 31.592105865478516 701.4390258789062 62.025001525878906 702.9446411132812 16.00657844543457 703.2870483398438 49.969261169433594 707.5288696289062 46.88461685180664 708.3828125 498.29656982421875 709.4615478515625 112.96014404296875 709.8687744140625 46.52083206176758 710.4522094726562 254.01806640625 710.7271728515625 12.100000381469727 711.3632202148438 56.242645263671875 711.4295654296875 66.47115325927734 712.417236328125 3427.504638671875 712.51513671875 47.06944274902344 712.5592041015625 13.892857551574707 713.0990600585938 18.00657844543457 713.1945190429688 43.40277862548828 713.3316650390625 85.00119018554688 713.4224853515625 414.5636291503906 713.859619140625 40.0025520324707 714.1203002929688 12.675000190734863 714.4205932617188 103.88005065917969 714.55517578125 29.1875 715.4808959960938 23.89285659790039 715.9486694335938 26.200000762939453 718.4602661132812 33.570945739746094 719.347412109375 52.88010025024414 719.4446411132812 1459.341552734375 720.0426635742188 10.035714149475098 720.4466552734375 357.4150695800781 720.4993286132812 30.023935317993164 720.8250732421875 17.44444465637207 721.4503784179688 13.006579399108887 721.92626953125 41.42045593261719 722.3972778320312 175.1468505859375 722.6053466796875 56.224998474121094 723.4201049804688 171.00140380859375 724.4172973632812 111.36111450195312 724.4528198242188 175.8800506591797 725.3346557617188 12.284090995788574 725.4129028320312 215.00048828125 725.4548950195312 145.78408813476562 726.3865356445312 115.9412612915039 726.6306762695312 119.98275756835938 726.7479858398438 51.136112213134766 727.3828125 150.08035278320312 727.4154663085938 134.01113891601562 728.3916015625 24.901315689086914 728.4161987304688 42.26041793823242 731.4459838867188 50.00893020629883 731.5023193359375 11.074999809265137 733.4476928710938 16.022727966308594 736.4203491210938 132.9637908935547 736.4607543945312 31.01785659790039 736.6957397460938 16.04166603088379 737.3728637695312 79.71627044677734 737.4546508789062 2726.032470703125 737.5646362304688 11.321428298950195 737.7045288085938 23.004310607910156 737.8155517578125 13.892857551574707 737.8897705078125 12.333333015441895 738.4553833007812 1320.1226806640625 738.5902099609375 13.47115421295166 739.1671142578125 28.197580337524414 739.3939819335938 121.00110626220703 739.446044921875 480.6732177734375 739.6392822265625 21.390625 739.8092651367188 13.005000114440918 739.8572387695312 15.796052932739258 740.1974487304688 16.899999618530273 740.39453125 1277.9537353515625 740.6879272460938 46.16891860961914 741.0186767578125 39.149391174316406 741.19873046875 48.89285659790039 741.408203125 918.6064453125 741.5386962890625 9.041666984558105 742.0776977539062 18.29166603088379 742.4280395507812 240.6281280517578 743.2422485351562 39.85969543457031 743.3959350585938 87.00218963623047 743.4475708007812 15.25 743.544677734375 21.390625 744.3946533203125 14.25 749.3896484375 87.72413635253906 749.4707641601562 16.163461685180664 750.3740234375 145.375 750.614990234375 18.04166603088379 751.4237060546875 249.16346740722656 751.457763671875 188.0416717529297 752.0147705078125 30.013158798217773 752.4495849609375 869.9796142578125 752.9202880859375 26.265625 753.3868408203125 28.640151977539062 753.45263671875 384.66943359375 753.4813842773438 278.88665771484375 754.3792114257812 51.16071319580078 754.4849853515625 29.0 755.4212036132812 626.11962890625 755.4833984375 59.34722137451172 755.6854248046875 28.215425491333008 756.4454345703125 84.04166412353516 757.416748046875 2065.896240234375 757.5379638671875 17.363636016845703 757.6528930664062 48.0476188659668 757.6802368164062 29.75 757.99658203125 35.125 758.4202880859375 470.0101318359375 758.5516967773438 16.25 759.1353149414062 15.266304016113281 759.269287109375 23.036291122436523 759.3992919921875 34.79999923706055 759.4415893554688 59.002193450927734 759.8530883789062 35.066490173339844 760.7918090820312 75.1893539428711 761.9244995117188 31.13306427001953 762.424560546875 43.17378234863281 763.4847412109375 68.08999633789062 764.5023803710938 17.009614944458008 765.4056396484375 165.57095336914062 766.4642333984375 708.7037353515625 767.4022216796875 386.9035949707031 767.46826171875 220.8919677734375 768.4066772460938 176.32786560058594 768.4816284179688 71.43269348144531 769.2820434570312 27.032142639160156 769.4368896484375 608.0195922851562 769.4705810546875 481.5692443847656 769.7538452148438 22.048913955688477 770.0814208984375 9.086538314819336 770.3975219726562 119.32432556152344 770.438232421875 65.33654022216797 770.4727783203125 67.33333587646484 771.3961181640625 830.43212890625 771.5178833007812 13.183823585510254 771.9061889648438 56.66865158081055 771.9557495117188 32.96195602416992 772.2797241210938 18.25 772.403076171875 248.90017700195312 773.4046630859375 43.125 773.7765502929688 11.066176414489746 775.61328125 57.14285659790039 776.454345703125 111.06896209716797 777.92578125 26.487903594970703 779.4591674804688 153.4866485595703 779.5054931640625 24.2450008392334 780.4570922851562 52.53125 781.350830078125 84.81500244140625 781.4906005859375 275.5032958984375 781.82421875 19.08333396911621 782.4947509765625 36.00961685180664 783.0977783203125 13.78125 783.38818359375 9.240385055541992 783.4613037109375 761.538818359375 784.4610595703125 256.8395080566406 785.2847290039062 38.016666412353516 785.4129638671875 3855.419189453125 785.5362548828125 28.125 785.639892578125 47.39112854003906 785.8087768554688 9.25 785.8685302734375 9.240385055541992 786.015625 42.25 786.4177856445312 1359.4697265625 786.5111083984375 17.008333206176758 786.552734375 55.67499923706055 786.6474609375 17.226852416992188 786.7070922851562 23.337963104248047 786.8715209960938 31.149391174316406 787.2713012695312 77.68252563476562 787.3391723632812 33.00463104248047 787.3982543945312 190.11842346191406 787.4850463867188 76.06428527832031 787.9691162109375 37.04166793823242 788.3922729492188 55.716270446777344 788.4554443359375 75.97965240478516 789.0454711914062 58.73500061035156 790.4378662109375 17.125 791.3760986328125 53.603572845458984 792.4251098632812 111.92176055908203 793.441162109375 23.125 793.4886474609375 74.25635528564453 794.1939697265625 15.019230842590332 794.4694213867188 151.75550842285156 795.3592529296875 84.18000030517578 795.4024658203125 153.93093872070312 796.396484375 95.43085479736328 797.4691772460938 1714.193359375 797.9954223632812 41.02122497558594 798.1262817382812 9.556818008422852 798.28955078125 36.140625 798.4365234375 28.446428298950195 798.4727783203125 411.22821044921875 799.5078735351562 81.18118286132812 800.4721069335938 35.485294342041016 801.973388671875 77.02702331542969 805.4490356445312 51.925926208496094 807.45263671875 136.72857666015625 809.4183959960938 109.11673736572266 809.4755249023438 85.45454406738281 809.582763671875 22.160715103149414 810.412109375 89.18382263183594 810.4927368164062 46.75 811.4857177734375 899.907958984375 812.3812255859375 26.32661247253418 812.4946899414062 147.39999389648438 813.4005126953125 142.92286682128906 813.4813232421875 135.15383911132812 813.6387329101562 12.0054349899292 814.4086303710938 183.44512939453125 815.3731689453125 63.11111068725586 817.5247802734375 48.25 821.4552001953125 103.9692611694336 822.4730224609375 71.125 823.4944458007812 27.090909957885742 824.5420532226562 39.130435943603516 825.4404907226562 65.0625 825.4798583984375 195.0010986328125 825.544189453125 139.20689392089844 825.9470825195312 30.160715103149414 825.9805908203125 69.94541931152344 826.4996948242188 262.8554382324219 826.5548095703125 46.21120834350586 827.5010375976562 238.50633239746094 827.9544067382812 13.009614944458008 828.4503784179688 240.375 829.413818359375 32.1655387878418 829.456787109375 18.008333206176758 835.264404296875 8.0 835.3661499023438 28.14285659790039 836.4945678710938 69.375 836.8407592773438 14.059210777282715 837.46240234375 72.27365112304688 837.4965209960938 117.1072998046875 838.5208740234375 71.69827270507812 839.4590454101562 505.45806884765625 840.4879760742188 461.06451416015625 840.581787109375 20.211206436157227 841.4285278320312 43.786766052246094 842.4380493164062 95.96078491210938 842.6312255859375 102.11126708984375 842.71875 19.005952835083008 843.041259765625 26.049999237060547 843.201416015625 34.0025520324707 843.2621459960938 18.75 843.4755249023438 73.40664672851562 844.4219360351562 35.04166793823242 845.390869140625 35.04545593261719 846.4653930664062 1701.205810546875 846.5725708007812 8.0 847.4701538085938 877.6755981445312 847.5931396484375 12.240385055541992 848.3517456054688 37.53065872192383 848.4774780273438 134.84518432617188 849.2001342773438 14.0625 849.43505859375 162.0142364501953 851.5192260742188 280.1886901855469 852.4461059570312 35.003570556640625 852.5211181640625 129.7563018798828 853.474365234375 1066.440185546875 854.1975708007812 12.074999809265137 854.5006103515625 1233.0042724609375 854.6137084960938 62.014610290527344 854.99951171875 13.008333206176758 855.0910034179688 35.17287063598633 855.49951171875 476.2449951171875 855.8629760742188 13.25 856.4882202148438 717.9180297851562 856.6045532226562 45.00757598876953 856.9461059570312 8.5625 857.4908447265625 317.7313537597656 858.00732421875 18.399999618530273 858.4041137695312 120.07546997070312 858.4891357421875 133.67431640625 861.4694213867188 38.003047943115234 861.5428466796875 89.65398406982422 862.5068359375 97.5625 862.5318603515625 92.93133544921875 864.4570922851562 139.65980529785156 865.5300903320312 32.125 866.4716186523438 232.15122985839844 866.5387573242188 140.94216918945312 866.666015625 8.160714149475098 867.401123046875 20.25 867.47216796875 109.1314926147461 867.5215454101562 96.7409439086914 868.4622802734375 114.47058868408203 868.5077514648438 114.69422912597656 868.5401611328125 87.33611297607422 869.53564453125 142.59524536132812 870.2008666992188 39.272727966308594 870.3328857421875 46.54545593261719 870.5017700195312 1191.25 870.7479858398438 13.050000190734863 870.8493041992188 15.47115421295166 871.1534423828125 30.816667556762695 871.5045166015625 473.9333190917969 871.7738037109375 15.625 871.9990844726562 41.51612854003906 872.0401611328125 46.14814758300781 877.4459228515625 38.33796310424805 878.5271606445312 73.1008071899414 879.5726928710938 17.0592098236084 880.488525390625 630.9307861328125 881.4260864257812 22.625 881.4940185546875 502.3215026855469 881.5645141601562 54.28928756713867 881.8604736328125 21.160715103149414 882.47998046875 117.04891204833984 884.1095581054688 52.088768005371094 884.2159423828125 160.0416717529297 884.4826049804688 2129.00048828125 885.0393676757812 12.024999618530273 885.2769775390625 12.006579399108887 885.4818725585938 1260.1256103515625 886.4345703125 35.3125 886.485595703125 161.1513214111328 887.5123291015625 80.44007110595703 887.8928833007812 22.005952835083008 889.4664916992188 14.5328950881958 889.5498046875 70.125 890.5459594726562 44.19117736816406 891.9535522460938 10.007352828979492 892.5562744140625 79.37255096435547 894.4732666015625 86.89286041259766 894.5277099609375 62.09090805053711 895.493408203125 24.048913955688477 895.5250854492188 19.48214340209961 896.4904174804688 48.00227355957031 896.535888671875 528.3920288085938 897.5418701171875 341.1768798828125 898.2388916015625 7.013888835906982 898.498046875 3518.8740234375 898.6343994140625 18.022727966308594 898.699951171875 26.78125 898.728515625 22.03125 898.79052734375 8.166666984558105 899.1549682617188 7.0 899.4051513671875 79.13587188720703 899.500732421875 1554.2607421875 899.6024780273438 23.405000686645508 899.78076171875 29.575000762939453 900.1131591796875 20.185606002807617 900.33740234375 54.515625 900.50439453125 96.16581726074219 900.6240234375 55.346309661865234 900.8875732421875 19.89285659790039 901.2180786132812 41.209999084472656 901.3423461914062 77.07257843017578 901.499267578125 23.25 901.5462036132812 9.875 902.229248046875 25.30681800842285 902.5520629882812 20.657608032226562 905.523193359375 423.12652587890625 906.3643798828125 12.100000381469727 906.5274658203125 493.7874450683594 906.6353149414062 12.017857551574707 908.1428833007812 47.66865158081055 908.4575805664062 75.30612182617188 908.5610961914062 45.040000915527344 908.7907104492188 7.25 909.5604248046875 145.5569610595703 910.4373779296875 27.77822494506836 910.491943359375 147.66758728027344 910.5531005859375 319.0062561035156 911.536865234375 297.07183837890625 911.67236328125 7.125 912.478759765625 20.44444465637207 913.4768676757812 77.0367660522461 914.3269653320312 17.005952835083008 915.51904296875 108.25798034667969 916.5243530273438 51.17287063598633 918.984375 30.003047943115234 920.5317993164062 21.035715103149414 920.589599609375 74.89307403564453 922.5507202148438 71.04166412353516 923.3015747070312 75.22368621826172 923.3660278320312 7.4464287757873535 923.5364990234375 1552.6263427734375 924.5413818359375 707.04248046875 924.6666259765625 51.4375 925.3228149414062 46.625 925.5098266601562 163.36692810058594 926.4722290039062 497.79595947265625 926.5552368164062 65.80278015136719 927.2479858398438 40.0476188659668 927.5094604492188 90.03765106201172 927.5548095703125 50.33333206176758 931.5415649414062 110.08401489257812 935.2250366210938 17.81818199157715 935.5218505859375 30.75 936.626708984375 24.16554069519043 937.4239501953125 30.840116500854492 937.4983520507812 45.29999923706055 938.5269165039062 691.9136352539062 939.5184936523438 205.20416259765625 939.5665893554688 145.72024536132812 939.9910278320312 27.160715103149414 940.5205688476562 37.68597412109375 940.5791625976562 79.32661437988281 941.494384765625 150.13626098632812 941.5311889648438 131.2449951171875 941.5933837890625 58.65760803222656 942.5088500976562 43.21542739868164 943.50732421875 16.125 944.5073852539062 32.004310607910156 949.5639038085938 206.97930908203125 950.5402221679688 55.89814758300781 952.5452880859375 445.0643615722656 952.6246948242188 16.204545974731445 953.0748901367188 48.1953125 953.4955444335938 79.82276153564453 953.560791015625 343.19287109375 953.68603515625 19.149999618530273 954.4588623046875 77.9394302368164 954.5752563476562 64.11573791503906 955.5182495117188 522.21875 955.5590209960938 775.6372680664062 956.4154052734375 7.333333492279053 956.5379028320312 365.4579162597656 957.9405517578125 77.668212890625 958.1431274414062 30.889286041259766 958.550048828125 11.074999809265137 959.549560546875 564.9900512695312 960.3355102539062 27.22222137451172 960.5509643554688 178.015380859375 960.6482543945312 100.15592956542969 961.0243530273438 11.142857551574707 961.1007080078125 8.449999809265137 961.185791015625 15.148809432983398 961.3311767578125 7.625 961.4839477539062 26.571428298950195 961.5872802734375 18.480262756347656 964.5834350585938 70.45370483398438 965.409912109375 16.01388931274414 965.536865234375 163.25454711914062 965.5798950195312 60.23670196533203 966.5438232421875 19.285715103149414 967.5739135742188 729.4671020507812 967.7061767578125 12.446428298950195 968.389892578125 52.4900016784668 968.5211791992188 58.014610290527344 968.5831298828125 548.9306640625 969.58447265625 328.4983215332031 969.9384155273438 27.77822494506836 970.57177734375 395.368408203125 970.7293090820312 17.36111068725586 970.7911376953125 15.027777671813965 971.4187622070312 10.027777671813965 971.4837036132812 165.0204620361328 972.4913330078125 255.05580139160156 972.8866577148438 17.225000381469727 973.5736694335938 26.644737243652344 977.53271484375 45.49385070800781 979.5679931640625 34.20500183105469 980.3245239257812 20.204545974731445 980.5575561523438 209.2045440673828 981.5835571289062 151.04969787597656 982.0867309570312 33.11249923706055 982.5778198242188 100.5143814086914 983.5510864257812 1042.7701416015625 983.6761474609375 11.066176414489746 983.8316650390625 34.72222137451172 984.4276733398438 23.1358699798584 984.5496215820312 236.05714416503906 985.5541381835938 101.625 986.5209350585938 54.08035659790039 988.0155029296875 22.25 991.6187133789062 49.662235260009766 993.5358276367188 60.3353157043457 994.5220336914062 98.140625 994.9400024414062 9.800000190734863 995.5416870117188 113.24137878417969 995.57763671875 61.5625 996.3688354492188 8.25 996.5792236328125 77.14673614501953 997.3807373046875 23.140625 997.5628051757812 2794.989990234375 997.6988525390625 24.022727966308594 998.1375732421875 18.022727966308594 998.2034912109375 18.066177368164062 998.568603515625 1146.3427734375 998.7634887695312 30.640151977539062 998.9495849609375 16.363636016845703 999.0930786132812 27.16532325744629 999.13427734375 41.26630401611328 999.5784301757812 68.88461303710938 1000.554443359375 28.086538314819336 1001.3161010742188 25.5 1001.4635620117188 15.69444465637207 1001.5994262695312 159.7532501220703 1007.5756225585938 123.36318969726562 1007.630126953125 100.04808044433594 1008.0258178710938 46.28571319580078 1010.5631103515625 79.6465072631836 1010.6298828125 21.005952835083008 1011.4905395507812 30.36742401123047 1011.5878295898438 60.53333282470703 1012.540771484375 45.46154022216797 1012.5772094726562 54.89352035522461 1013.5739135742188 102.0 1017.5752563476562 113.96900177001953 1018.6032104492188 485.3582763671875 1018.6852416992188 23.40833282470703 1018.7470703125 8.01388931274414 1019.607666015625 405.57440185546875 1020.61865234375 63.68965530395508 1021.6862182617188 29.25 1022.5964965820312 30.071428298950195 1022.6351318359375 45.92987823486328 1023.6201782226562 33.69444274902344 1024.5804443359375 80.54671478271484 1025.53759765625 171.1132049560547 1026.0418701171875 11.0 1026.494140625 86.625 1026.532470703125 59.173912048339844 1027.489990234375 25.230770111083984 1035.612060546875 84.84051513671875 1036.6138916015625 658.3656616210938 1037.4078369140625 12.050000190734863 1037.6199951171875 576.0651245117188 1038.6014404296875 193.8979949951172 1039.4439697265625 17.363636016845703 1039.5511474609375 209.125 1039.62353515625 57.094696044921875 1040.5770263671875 503.14404296875 1041.0792236328125 17.440217971801758 1041.4727783203125 133.37062072753906 1041.5902099609375 31.446428298950195 1041.7515869140625 13.44444465637207 1042.2344970703125 61.099998474121094 1043.0982666015625 13.0625 1043.541748046875 38.67499923706055 1050.2811279296875 10.875 1050.599365234375 41.22282791137695 1051.46875 33.07267379760742 1051.6075439453125 100.49019622802734 1052.0374755859375 21.375 1052.598876953125 75.14814758300781 1052.64599609375 136.10397338867188 1053.54541015625 100.22234344482422 1053.6318359375 32.032142639160156 1053.7164306640625 11.5 1054.6107177734375 393.0428466796875 1055.289306640625 29.003047943115234 1055.5877685546875 80.18939208984375 1055.6268310546875 59.102272033691406 1055.662109375 28.2450008392334 1056.02490234375 22.240385055541992 1056.5791015625 774.2315673828125 1057.447998046875 29.13306427001953 1057.58349609375 674.4010009765625 1057.7144775390625 9.25 1058.5513916015625 22.29166603088379 1058.96240234375 22.961956024169922 1059.6204833984375 25.204999923706055 1061.5931396484375 29.045454025268555 1062.114501953125 32.94117736816406 1062.6456298828125 18.1488094329834 1064.6038818359375 157.38568115234375 1064.6553955078125 46.025001525878906 1065.6243896484375 62.0239372253418 1066.5789794921875 18.321428298950195 1066.67919921875 7.199999809265137 1067.5733642578125 100.84027862548828 1068.6380615234375 245.67974853515625 1069.639892578125 289.1280212402344 1069.8116455078125 8.086538314819336 1070.5604248046875 294.4827575683594 1071.5706787109375 145.0801239013672 1072.9681396484375 34.671295166015625 1075.54150390625 11.77884578704834 1075.6270751953125 10.446428298950195 1077.633056640625 16.285715103149414 1078.155517578125 12.892857551574707 1078.626220703125 70.40878295898438 1079.3756103515625 26.625 1079.629638671875 145.1488037109375 1080.60693359375 47.474056243896484 1080.6585693359375 479.26593017578125 1081.6605224609375 157.0416717529297 1082.546630859375 7.25 1082.6220703125 314.3186950683594 1082.9617919921875 91.09091186523438 1083.0843505859375 7.041666507720947 1083.2669677734375 47.0476188659668 1083.6207275390625 71.1716079711914 1084.0902099609375 27.004310607910156 1084.4266357421875 54.34782791137695 1084.4783935546875 46.727272033691406 1084.576171875 1352.6368408203125 1085.1783447265625 64.20833587646484 1085.2681884765625 19.024999618530273 1085.371337890625 27.032142639160156 1085.575927734375 796.0708618164062 1085.8516845703125 26.3689022064209 1086.57568359375 30.22282600402832 1086.755859375 38.29999923706055 1091.592041015625 36.42856979370117 1093.589599609375 22.604999542236328 1094.6529541015625 42.92307662963867 1094.749267578125 25.115739822387695 1095.623046875 32.344512939453125 1096.634765625 1739.4578857421875 1096.829833984375 11.0 1097.632568359375 844.9396362304688 1097.876220703125 18.48214340209961 1098.5667724609375 53.00463104248047 1098.6322021484375 33.57065200805664 1100.5963134765625 104.35508728027344 1106.8233642578125 23.090909957885742 1108.5684814453125 11.408333778381348 1109.577392578125 32.485294342041016 1110.6346435546875 29.446428298950195 1115.72705078125 11.77884578704834 1120.8365478515625 18.225000381469727 1122.6241455078125 45.47368240356445 1122.671875 7.050000190734863 1123.6212158203125 21.920454025268555 1123.70068359375 130.3462677001953 1124.6142578125 43.390625 1124.6572265625 40.272727966308594 1125.652099609375 35.18560791015625 1127.6063232421875 143.89605712890625 1128.5648193359375 79.02857208251953 1128.6358642578125 165.5 1130.574462890625 13.183823585510254 1132.6192626953125 102.05946350097656 1135.6275634765625 112.0 1136.647705078125 136.26454162597656 1137.5213623046875 27.164474487304688 1137.66943359375 86.31521606445312 1138.6187744140625 250.00437927246094 1139.5003662109375 10.03125 1139.6488037109375 477.82177734375 1139.9798583984375 20.720237731933594 1140.656494140625 504.6565856933594 1141.5284423828125 17.44444465637207 1141.5994873046875 38.0476188659668 1141.6348876953125 34.04941940307617 1144.0633544921875 112.85964965820312 1144.637451171875 48.72844696044922 1145.4510498046875 18.0 1145.628173828125 1909.801025390625 1145.756591796875 13.086538314819336 1145.9805908203125 48.20000076293945 1146.5443115234375 15.125 1146.633056640625 932.6859741210938 1146.8851318359375 19.440217971801758 1147.644287109375 24.55681800842285 1148.6378173828125 52.32143020629883 1149.4503173828125 28.012500762939453 1150.6754150390625 37.5 1151.7041015625 74.27435302734375 1152.64306640625 37.181819915771484 1152.706298828125 192.34259033203125 1153.6612548828125 354.0089416503906 1153.9027099609375 38.36742401123047 1154.2115478515625 19.349138259887695 1154.6566162109375 245.27557373046875 1155.105712890625 12.556818008422852 1155.2498779296875 37.23147964477539 1155.5233154296875 83.60953521728516 1155.5921630859375 36.014705657958984 1155.64697265625 391.0887756347656 1156.6483154296875 209.06446838378906 1156.749267578125 8.008333206176758 1157.6480712890625 107.0887680053711 1157.9786376953125 41.88461685180664 1160.6953125 37.45833206176758 1162.6502685546875 11.166666984558105 1164.5689697265625 40.004310607910156 1164.6400146484375 21.204545974731445 1164.722900390625 35.005001068115234 1165.6435546875 89.89351654052734 1166.6402587890625 251.42013549804688 1167.6441650390625 56.22256088256836 1167.71044921875 31.0592098236084 1168.66748046875 64.87903594970703 1168.72021484375 23.107759475708008 1169.0203857421875 17.36111068725586 1169.632080078125 153.15383911132812 1170.6004638671875 63.030303955078125 1170.6356201171875 59.907257080078125 1170.683837890625 54.375 1174.6890869140625 59.24137878417969 1176.6785888671875 21.889705657958984 1177.69873046875 14.675000190734863 1177.8204345703125 56.30867385864258 1178.6923828125 75.80166625976562 1179.6956787109375 85.38021087646484 1183.645263671875 1070.90283203125 1184.4786376953125 30.799999237060547 1184.648193359375 886.4409790039062 1184.80126953125 10.027777671813965 1185.0283203125 27.05555534362793 1185.15234375 56.84429931640625 1185.6414794921875 33.90086364746094 1185.7811279296875 19.657608032226562 1188.705078125 98.72889709472656 1188.77880859375 7.5 1194.69287109375 22.96982765197754 1194.7412109375 21.720237731933594 1195.7017822265625 561.0449829101562 1195.8358154296875 25.066667556762695 1196.7010498046875 391.65106201171875 1197.0714111328125 35.64015197753906 1197.7132568359375 176.92628479003906 1198.185791015625 22.450000762939453 1198.2958984375 31.844999313354492 1198.3482666015625 54.04009246826172 1200.70556640625 126.83951568603516 1203.436279296875 15.024999618530273 1204.689697265625 112.05235290527344 1205.6829833984375 36.907257080078125 1206.7288818359375 43.14881134033203 1208.72119140625 7.5625 1209.6719970703125 71.04280853271484 1209.768798828125 8.0 1210.6907958984375 43.230770111083984 1211.7020263671875 10.03125 1217.4871826171875 48.53125 1221.7279052734375 37.125 1222.6976318359375 266.8616027832031 1222.7347412109375 228.94586181640625 1222.9937744140625 15.006579399108887 1223.7042236328125 284.94091796875 1223.75048828125 150.6095428466797 1224.3907470703125 30.964284896850586 1224.671875 61.0431022644043 1225.681640625 71.80166625976562 1226.6773681640625 200.5 1227.68798828125 174.2655029296875 1227.8172607421875 11.083333015441895 1228.6961669921875 92.01424407958984 1236.681396484375 76.21338653564453 1237.6217041015625 20.125 1237.695556640625 349.50872802734375 1238.7398681640625 141.40834045410156 1238.9029541015625 39.19117736816406 1239.7298583984375 167.33729553222656 1240.2169189453125 22.961956024169922 1240.348388671875 18.91847801208496 1240.71826171875 44.603572845458984 1241.6685791015625 24.15705108642578 1244.6080322265625 59.22240447998047 1244.7022705078125 777.112548828125 1245.4033203125 26.034090042114258 1245.5931396484375 54.260868072509766 1245.6998291015625 615.0634155273438 1245.8486328125 29.450000762939453 1245.9002685546875 12.25 1246.69140625 35.51250076293945 1248.726318359375 84.46106719970703 1249.291015625 26.112499237060547 1249.7254638671875 116.60344696044922 1250.6810302734375 51.46154022216797 1252.1282958984375 44.59868240356445 1252.7066650390625 79.0 1254.710205078125 125.36742401123047 1255.66943359375 65.63362121582031 1255.7308349609375 96.10246276855469 1256.0906982421875 7.224999904632568 1264.6199951171875 90.13037872314453 1264.716552734375 16.086538314819336 1265.700927734375 90.14224243164062 1265.768798828125 22.56818199157715 1266.735595703125 334.4626159667969 1267.74267578125 955.0202026367188 1267.8804931640625 8.050000190734863 1268.21435546875 10.142857551574707 1278.6851806640625 16.0 1279.6802978515625 63.30867385864258 1282.5560302734375 12.0 1282.7132568359375 711.0073852539062 1282.8482666015625 35.453704833984375 1283.0155029296875 264.75347900390625 1283.15478515625 32.5625 1283.2042236328125 16.04166603088379 1283.7132568359375 315.04229736328125 1284.7152099609375 54.29753494262695 1290.77294921875 30.003787994384766 1291.0513916015625 36.875 1296.7310791015625 117.0250015258789 1299.677978515625 28.55769157409668 1304.695556640625 73.3463134765625 1307.775146484375 70.75 1308.736572265625 68.92857360839844 1308.810546875 22.0 1309.7227783203125 69.48529052734375 1312.2047119140625 13.005952835083008 1315.8179931640625 10.199999809265137 1317.7742919921875 558.9434814453125 1318.767578125 116.48076629638672 1319.7869873046875 45.51524353027344 1322.826904296875 16.25 1323.7523193359375 86.01210021972656 1325.758544921875 20.25 1327.1781005859375 56.14260482788086 1329.9630126953125 18.48214340209961 1334.728515625 24.0049991607666 1335.7374267578125 145.44537353515625 1335.781494140625 224.0181884765625 1336.7803955078125 213.5703125 1337.2923583984375 13.78125 1337.7696533203125 188.8549346923828 1337.9656982421875 48.24007797241211 1338.796142578125 133.6768035888672 1339.76318359375 40.08012771606445 1340.744384765625 49.77941131591797 1343.69140625 89.14881134033203 1343.7685546875 459.4490661621094 1343.9439697265625 15.571428298950195 1344.76171875 215.04710388183594 1347.72265625 50.31578826904297 1351.7568359375 47.33333206176758 1351.8162841796875 95.11148834228516 1352.918701171875 16.038793563842773 1353.7618408203125 102.28166961669922 1354.7457275390625 62.006248474121094 1361.79931640625 43.34375 1368.7772216796875 7.347222328186035 1374.7705078125 28.01785659790039 1378.8165283203125 28.487903594970703 1379.8309326171875 176.59375 1380.8338623046875 278.192138671875 1381.099365234375 11.008333206176758 1381.1510009765625 13.006579399108887 1381.7857666015625 317.66864013671875 1382.7774658203125 604.4400024414062 1383.3370361328125 21.242647171020508 1383.79248046875 146.48789978027344 1387.3394775390625 28.409090042114258 1391.934814453125 43.010868072509766 1392.7630615234375 69.44444274902344 1408.81884765625 77.6050033569336 1409.8314208984375 19.107759475708008 1410.6529541015625 10.0 1419.8494873046875 16.2450008392334 1424.8134765625 70.17361450195312 1425.8092041015625 14.059210777282715 1426.8292236328125 97.3652572631836 1434.807861328125 36.400001525878906 1436.8477783203125 7.5625 1437.265625 28.32661247253418 1437.87744140625 43.889286041259766 1442.8330078125 206.7753143310547 1443.5916748046875 21.052631378173828 1443.8426513671875 209.68515014648438 1444.80908203125 56.51612854003906 1450.830810546875 9.007352828979492 1452.815673828125 328.0891418457031 1453.7681884765625 41.00833511352539 1453.816650390625 92.25806427001953 1454.8072509765625 89.42222595214844 1459.8397216796875 11.571428298950195 1460.83447265625 38.224998474121094 1475.72314453125 14.399999618530273 1475.8468017578125 13.595588684082031 1476.8455810546875 82.9412612915039 1478.87255859375 26.2450008392334 1486.85693359375 82.26080322265625 1487.8604736328125 31.100608825683594 1488.181884765625 27.115739822387695 1495.8577880859375 162.6281280517578 1496.8485107421875 77.07752990722656 1497.130126953125 33.13793182373047 1503.8690185546875 58.00833511352539 1504.8388671875 28.132352828979492 1505.859375 48.64285659790039 1507.873046875 18.321428298950195 1508.8775634765625 138.5798797607422 1512.8338623046875 14.25 1513.8760986328125 119.76190185546875 1514.879150390625 242.05593872070312 1517.14892578125 35.76861572265625 1517.5003662109375 27.226852416992188 1519.974365234375 29.337963104248047 1521.8505859375 165.61538696289062 1522.8612060546875 93.40485382080078 1523.8519287109375 107.0 1524.840576171875 40.68597412109375 1525.6318359375 9.800000190734863 1530.3968505859375 13.163461685180664 1534.4847412109375 20.02083396911621 1555.4097900390625 18.111841201782227 1565.889892578125 119.00080871582031 1578.5413818359375 49.285377502441406 1588.919189453125 39.57143020629883 1601.4176025390625 149.05523681640625 1605.916015625 87.23213958740234 1606.9295654296875 25.25 1616.93212890625 51.007354736328125 1627.3238525390625 7.050000190734863 1633.9002685546875 47.46106719970703 1634.946533203125 325.0096130371094 1635.9404296875 105.34404754638672 1636.0068359375 25.907258987426758 1636.9580078125 58.88888931274414 1637.1441650390625 15.148809432983398 1661.258056640625 10.240385055541992 1678.06396484375 18.77777862548828 1697.1014404296875 24.100807189941406 1716.5833740234375 21.076923370361328 1729.599609375 13.225000381469727 1835.080810546875 47.153846740722656 1858.8262939453125 33.111488342285156 1899.25390625 18.005952835083008 1924.808349609375 20.048913955688477 1941.9632568359375 42.65441131591797 END IONS BEGIN IONS TITLE=CCMSLIB00005723259 PEPMASS=941.54539 CHARGE=2 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=50.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_C2_Gramicidin.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Gramicidin_50eV [M+2H]2+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=C[C@@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC7=CNC8=CC=CC=C87)C(=O)NCCO)NC(=O)CNC(=O)[C@H](C(C)C)NC=O INCHI=InChI=1S/C99H140N20O17/c1-51(2)37-73(109-86(123)59(17)107-81(122)49-105-96(133)82(55(9)10)106-50-121)89(126)108-60(18)87(124)117-84(57(13)14)98(135)119-85(58(15)16)99(136)118-83(56(11)12)97(134)116-80(44-64-48-104-72-34-26-22-30-68(64)72)95(132)112-76(40-54(7)8)92(129)115-79(43-63-47-103-71-33-25-21-29-67(63)71)94(131)111-75(39-53(5)6)91(128)114-78(42-62-46-102-70-32-24-20-28-66(62)70)93(130)110-74(38-52(3)4)90(127)113-77(88(125)100-35-36-120)41-61-45-101-69-31-23-19-27-65(61)69/h19-34,45-48,50-60,73-80,82-85,101-104,120H,35-44,49H2,1-18H3,(H,100,125)(H,105,133)(H,106,121)(H,107,122)(H,108,126)(H,109,123)(H,110,130)(H,111,131)(H,112,132)(H,113,127)(H,114,128)(H,115,129)(H,116,134)(H,117,124)(H,118,136)(H,119,135)/t59-,60-,73+,74+,75+,76+,77-,78-,79-,80-,82-,83-,84+,85-/m0/s1 INCHIAUX=ZWCXYZRRTRDGQE-SORVKSEFSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723259 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723259 SCANS=334956 55.054508209228516 587.3719482421875 55.08875274658203 14.11111068725586 62.06023406982422 1108.5318603515625 62.09904098510742 22.036291122436523 72.04485321044922 684.9889526367188 72.08100891113281 3710.039306640625 72.12000274658203 39.671295166015625 73.03966522216797 173.1505889892578 73.07683563232422 136.68515014648438 77.03630828857422 210.273681640625 86.09628295898438 13589.1591796875 86.1334228515625 142.3712158203125 86.27642059326172 80.90625 86.31343078613281 12.449999809265137 86.3299560546875 25.245689392089844 87.09962463378906 911.9249267578125 87.14192199707031 25.30681800842285 88.03901672363281 150.00082397460938 88.60867309570312 23.285715103149414 88.94048309326172 31.799999237060547 91.11502838134766 18.0625 96.0805892944336 178.40692138671875 96.11731719970703 13.027777671813965 100.07648468017578 388.4444885253906 101.06962585449219 184.1236572265625 103.04946899414062 62.52941131591797 104.05741882324219 219.0055389404297 105.06961822509766 79.8778076171875 113.0716323852539 120.00859069824219 113.10563659667969 111.70282745361328 113.19384765625 20.02083396911621 115.05342864990234 642.7283935546875 117.06214904785156 240.84548950195312 118.06356048583984 229.4221954345703 120.72209930419922 31.00265884399414 123.15328216552734 38.40691375732422 125.1069107055664 51.3353157043457 126.1269302368164 96.1025619506836 127.08647155761719 1239.523193359375 127.12419891357422 96.38074493408203 128.0705108642578 1234.153564453125 128.7530517578125 23.907258987426758 129.82301330566406 40.40909194946289 130.06472778320312 7183.5888671875 130.11827087402344 75.84121704101562 130.1477813720703 84.0250015258789 130.2744140625 40.12009811401367 130.32293701171875 36.69551467895508 130.48464965820312 34.570945739746094 131.06764221191406 537.130615234375 131.1159210205078 191.32180786132812 131.28590393066406 34.5 131.34439086914062 55.22877502441406 132.08079528808594 4417.36474609375 132.12591552734375 45.04166793823242 132.25180053710938 53.283451080322266 132.547607421875 17.20833396911621 133.08364868164062 290.12249755859375 133.52061462402344 21.0049991607666 138.0907440185547 176.77894592285156 138.11375427246094 12.102272987365723 140.05067443847656 51.08333206176758 140.14260864257812 218.9688720703125 141.0235595703125 25.204999923706055 141.10205078125 4210.64111328125 141.14755249023438 110.0562515258789 141.207763671875 9.011363983154297 141.39279174804688 30.399999618530273 141.43104553222656 59.4934196472168 141.60096740722656 11.25 141.64134216308594 15.125 142.0638885498047 248.6305694580078 142.10475158691406 137.00994873046875 142.35565185546875 29.480262756347656 142.99598693847656 15.090909004211426 143.066650390625 124.00521087646484 143.11758422851562 1739.5125732421875 143.1779022216797 16.363636016845703 143.26187133789062 23.034090042114258 143.35748291015625 17.52083396911621 143.41990661621094 44.82045364379883 143.4549560546875 34.515625 144.04275512695312 223.24935913085938 144.08053588867188 2312.934326171875 144.1237030029297 131.0 144.21888732910156 41.4879035949707 144.28846740722656 15.1875 144.48341369628906 23.889705657958984 144.69476318359375 12.375 145.08348083496094 82.18181610107422 153.355712890625 13.25 156.080078125 156.11203002929688 156.3407440185547 14.69444465637207 157.0728759765625 167.7336883544922 157.097412109375 442.85162353515625 157.1320343017578 306.0006408691406 157.48883056640625 15.024999618530273 158.0581817626953 188.32183837890625 158.08265686035156 113.265625 158.53636169433594 141.1292724609375 159.09152221679688 36673.18359375 159.23670959472656 49.40438461303711 159.25869750976562 71.01264190673828 159.28497314453125 22.058822631835938 159.3203887939453 44.32500076293945 159.35433959960938 140.82843017578125 159.3729705810547 40.03125 159.403564453125 37.842105865478516 159.4384002685547 26.10714340209961 159.55242919921875 52.29753494262695 159.67086791992188 18.01785659790039 159.72756958007812 29.33333396911621 159.798828125 32.0 159.8323211669922 31.446428298950195 160.01882934570312 21.78125 160.09442138671875 3246.149658203125 160.15574645996094 78.02631378173828 160.3076934814453 36.03628921508789 160.48365783691406 12.059210777282715 160.54095458984375 26.68145179748535 161.20263671875 40.0476188659668 162.56227111816406 19.266666412353516 163.23678588867188 18.225000381469727 163.63990783691406 16.2450008392334 164.11669921875 58.76041793823242 167.08204650878906 319.16876220703125 168.0764617919922 89.28488159179688 169.07574462890625 759.2249755859375 169.65090942382812 21.038793563842773 170.06015014648438 2578.165771484375 170.13160705566406 240.57943725585938 170.167236328125 21.25 170.42066955566406 13.090909004211426 170.67271423339844 22.40833282470703 170.7903289794922 19.0 171.06381225585938 123.84121704101562 171.09120178222656 640.9243774414062 171.11170959472656 2229.398681640625 171.14830017089844 1317.3018798828125 171.2108612060547 14.208333015441895 171.2558135986328 17.164474487304688 171.57113647460938 14.285714149475098 171.59988403320312 20.008333206176758 172.1163330078125 147.4938201904297 172.15084838867188 183.75308227539062 172.5442352294922 26.3689022064209 173.06973266601562 65.07691955566406 174.05258178710938 124.21802520751953 175.08517456054688 65.0 176.34164428710938 19.33333396911621 177.0645294189453 259.91888427734375 177.1263885498047 13.28125 181.13255310058594 57.00186538696289 183.09234619140625 108.06521606445312 183.10638427734375 79.51041412353516 184.1409454345703 11.571428298950195 184.68289184570312 29.136110305786133 185.07049560546875 65.11250305175781 185.09161376953125 11899.0673828125 185.12864685058594 2935.1826171875 185.2023468017578 16.004629135131836 185.2874298095703 14.083333015441895 185.3857421875 17.674999237060547 185.5807647705078 51.280303955078125 185.91305541992188 15.125 186.09535217285156 1220.142822265625 186.12557983398438 311.4984436035156 187.08676147460938 3467.591796875 187.1292724609375 126.22877502441406 187.1780242919922 25.02777862548828 187.41184997558594 122.51249694824219 187.65357971191406 32.16666793823242 188.08863830566406 341.38201904296875 189.10049438476562 104.68679809570312 191.2249298095703 15.125 193.13336181640625 154.18685913085938 195.11215209960938 39.556819915771484 196.1112518310547 144.84400939941406 196.25697326660156 26.160715103149414 197.12454223632812 106.40192413330078 197.16409301757812 281.176025390625 197.4731903076172 35.36000061035156 198.09881591796875 52.355770111083984 198.12803649902344 918.0458984375 198.19088745117188 11.284090995788574 198.8370361328125 11.408333778381348 199.10935974121094 72.57894897460938 199.1435546875 1522.89404296875 199.20962524414062 12.006579399108887 199.49002075195312 32.485294342041016 199.5917510986328 14.0054349899292 199.9036102294922 21.53125 200.14352416992188 2004.3814697265625 200.1992950439453 23.454545974731445 200.65771484375 25.047618865966797 201.1360321044922 107.03148651123047 203.11727905273438 1797.4000244140625 203.158935546875 40.9262809753418 203.4882354736328 25.52083396911621 203.5605010986328 50.010868072509766 204.111083984375 853.3118286132812 205.09718322753906 234.12803649902344 205.1170196533203 166.84500122070312 205.15777587890625 12.0 207.14874267578125 70.1910400390625 208.10496520996094 26.900861740112305 208.14483642578125 91.3828125 210.1234588623047 902.541015625 211.08604431152344 221.2247772216797 211.105712890625 308.95513916015625 211.126953125 256.68011474609375 211.17941284179688 295.54046630859375 213.10064697265625 211.51162719726562 213.13902282714844 803.5466918945312 213.1580047607422 917.3355102539062 213.43748474121094 50.419776916503906 214.09860229492188 344.1328125 214.15689086914062 493.24261474609375 214.19728088378906 12.5625 214.23983764648438 21.204545974731445 214.77886962890625 16.0 215.08163452148438 216.1363067626953 215.1588134765625 70.55681610107422 217.15260314941406 86.85964965820312 221.1667938232422 31.08333396911621 222.12692260742188 81.91725158691406 223.12136840820312 405.4045715332031 224.1361083984375 80.84183502197266 225.13748168945312 216.32835388183594 225.15826416015625 600.4051513671875 225.33282470703125 27.00337791442871 225.69326782226562 23.337963104248047 226.15347290039062 262.4570617675781 226.1871337890625 14.25 226.6064910888672 45.59221267700195 227.154296875 1735.4600830078125 227.20883178710938 91.8223648071289 227.3496856689453 45.42856979370117 227.4060516357422 25.360294342041016 227.71078491210938 32.66666793823242 228.09698486328125 35.78125 228.13424682617188 15948.0244140625 228.22982788085938 67.07017517089844 228.27706909179688 20.1875 228.34768676757812 47.25 228.41873168945312 16.053571701049805 228.4503173828125 20.782407760620117 228.52244567871094 27.191177368164062 228.59194946289062 34.92091751098633 228.6339569091797 10.0 228.67454528808594 15.892857551574707 228.7014617919922 34.78716278076172 228.76467895507812 28.52083396911621 228.92323303222656 11.284090995788574 229.04367065429688 16.225000381469727 229.13645935058594 981.46728515625 229.19615173339844 15.074999809265137 229.44720458984375 15.008333206176758 230.12841796875 633.9747314453125 230.18841552734375 31.285715103149414 230.359619140625 33.06578826904297 231.11260986328125 12435.4013671875 231.1929473876953 78.00212097167969 231.2457275390625 16.48214340209961 231.29318237304688 26.00337791442871 231.4222869873047 66.44642639160156 231.46763610839844 71.01786041259766 231.5415496826172 25.765625 231.5970916748047 58.138511657714844 231.6919708251953 62.50893020629883 231.84803771972656 12.164473533630371 232.1144561767578 857.97509765625 232.42471313476562 22.04166603088379 232.4879913330078 60.043479919433594 233.115478515625 170.91131591796875 236.18280029296875 115.04326629638672 236.83078002929688 31.939516067504883 237.13909912109375 833.367431640625 238.1181640625 1453.262451171875 238.15408325195312 554.0488891601562 238.1987762451172 35.01250076293945 238.23031616210938 10.240385055541992 238.40841674804688 18.005952835083008 239.1214599609375 85.2249984741211 239.15354919433594 1908.911865234375 239.17266845703125 1555.72216796875 239.2111358642578 465.5364990234375 239.28794860839844 11.28125 239.84812927246094 10.666666984558105 240.09445190429688 19.69230842590332 240.13218688964844 129.13455200195312 240.1780242919922 36.64500045776367 240.7242889404297 28.071428298950195 241.15151977539062 274.3310546875 242.15003967285156 418.5851135253906 242.16651916503906 337.4488830566406 242.24990844726562 9.240385055541992 243.15074157714844 294.7147521972656 243.20391845703125 9.166666984558105 245.10903930664062 31.75 248.13925170898438 8629.5341796875 248.23887634277344 51.53125 248.3929901123047 42.47058868408203 248.47976684570312 116.32544708251953 248.57957458496094 9.225000381469727 249.14419555664062 840.0401611328125 249.19105529785156 157.38568115234375 250.12132263183594 244.75241088867188 250.71849060058594 55.2315559387207 251.1201171875 19.08333396911621 251.15260314941406 172.34620666503906 251.9854736328125 19.600000381469727 253.1521453857422 167.1219482421875 253.18783569335938 26.91847801208496 254.16566467285156 223.3045654296875 254.57568359375 29.721153259277344 255.03585815429688 31.045000076293945 255.1492919921875 2540.18505859375 255.3908233642578 21.72844886779785 255.51881408691406 22.532894134521484 255.54055786132812 23.600000381469727 255.6655731201172 19.875 256.0516357421875 29.68055534362793 256.0783386230469 184.1358642578125 256.1292724609375 82812.0703125 256.5388488769531 56.342594146728516 256.57427978515625 40.27364730834961 256.6058044433594 22.5 256.6457824707031 64.248291015625 256.6896667480469 66.33611297607422 256.72344970703125 50.54075241088867 256.75567626953125 104.42787170410156 256.811279296875 61.81596755981445 256.83953857421875 36.27906799316406 256.8717346191406 52.44643020629883 256.9382629394531 23.471153259277344 257.0025939941406 28.54166603088379 257.0416564941406 106.02422332763672 257.1321716308594 7408.6396484375 257.1866455078125 189.01678466796875 257.4146728515625 25.08333396911621 257.4273681640625 22.571428298950195 257.48199462890625 60.08012771606445 257.64337158203125 12.102272987365723 257.7156677246094 29.002906799316406 257.79547119140625 27.674999237060547 257.9804992675781 9.875 258.0794982910156 15.125 258.1353759765625 389.8024597167969 258.1591796875 1957.8372802734375 258.2251281738281 24.66666603088379 258.2455139160156 15.045000076293945 258.4646301269531 29.005952835083008 258.5301818847656 12.005952835083008 259.1282958984375 67.16598510742188 259.1632995605469 563.0083618164062 260.1637878417969 49.40833282470703 262.7796630859375 13.04891300201416 264.60888671875 56.02045440673828 267.202880859375 196.898193359375 267.9582824707031 114.88005065917969 268.14434814453125 861.357421875 268.20562744140625 24.005952835083008 268.254638671875 14.5625 269.1058349609375 41.555850982666016 269.24237060546875 66.7191162109375 270.1794738769531 2074.83154296875 270.2569580078125 24.140625 270.5765686035156 25.003570556640625 270.8536682128906 14.75 271.0782470703125 35.94230651855469 271.1231994628906 1098.056640625 271.1825256347656 231.0500030517578 271.5141296386719 19.125 271.6514892578125 30.0 272.1258850097656 109.61538696289062 272.1758117675781 19142.248046875 272.24200439453125 143.02499389648438 272.304443359375 15.28125 272.3428649902344 24.339284896850586 272.430419921875 14.291666984558105 272.52081298828125 21.225000381469727 272.5736999511719 50.274349212646484 272.6327819824219 17.55681800842285 272.7624816894531 29.26630401611328 272.7915954589844 27.54166603088379 272.9009704589844 48.0625 273.1403503417969 894.0805053710938 273.1777648925781 2179.227294921875 273.2647705078125 71.29000091552734 273.60662841796875 24.43214225769043 273.95465087890625 25.901315689086914 274.0837097167969 71.0999984741211 274.13531494140625 14.022727012634277 274.18707275390625 35.01041793823242 274.4803771972656 30.840116500854492 279.14862060546875 17.25 279.71734619140625 15.066176414489746 281.15948486328125 38.471153259277344 281.1910400390625 315.01654052734375 281.9839782714844 39.125 282.15936279296875 792.4765625 282.17645263671875 508.18560791015625 283.0796813964844 65.06451416015625 283.14373779296875 1323.2808837890625 283.36590576171875 74.25 284.1488037109375 221.1129608154297 284.1968994140625 1852.52490234375 284.2605895996094 13.240385055541992 284.390625 35.44643020629883 284.56939697265625 17.240385055541992 284.65435791015625 31.939516067504883 285.19915771484375 496.7660217285156 286.091064453125 47.25798034667969 286.1543884277344 6277.0166015625 286.2243957519531 67.0526351928711 286.359130859375 32.244998931884766 286.56524658203125 16.076923370361328 286.65533447265625 55.80172348022461 286.8709716796875 30.197580337524414 286.8957824707031 12.666666984558105 287.13037109375 150.8000030517578 287.15875244140625 220.66897583007812 288.13482666015625 133.00143432617188 288.1840515136719 10.066176414489746 292.0937194824219 26.038793563842773 294.18115234375 34.905487060546875 295.3649597167969 10.333333015441895 296.1376647949219 152.04110717773438 296.19573974609375 1409.8409423828125 296.2807312011719 18.1488094329834 297.2039489746094 80.16071319580078 298.15802001953125 347.7420349121094 298.1908874511719 302.1285705566406 298.2113952636719 830.9103393554688 298.5383605957031 24.076923370361328 299.1851501464844 61.852272033691406 299.81768798828125 10.035714149475098 300.0762939453125 23.0 300.119140625 184.5569305419922 300.170654296875 27326.62890625 300.3370056152344 22.840909957885742 300.37713623046875 19.048913955688477 300.4012145996094 28.004310607910156 300.5035400390625 18.480770111083984 300.53387451171875 25.032142639160156 300.5614013671875 57.34722137451172 300.5836486816406 24.34722137451172 300.7327880859375 46.84429931640625 300.87060546875 17.011363983154297 300.9544982910156 43.09090805053711 301.0211181640625 46.20000076293945 301.1736755371094 3719.5556640625 301.2515869140625 22.796052932739258 301.4131774902344 28.49127960205078 301.4549865722656 38.603572845458984 301.52703857421875 92.5813980102539 302.0945739746094 27.1358699798584 302.1586608886719 79.76041412353516 302.17877197265625 140.4381103515625 302.3181457519531 43.33333206176758 303.1821594238281 37.21542739868164 303.3783264160156 49.91755294799805 306.15667724609375 69.04166412353516 309.1686096191406 455.0744934082031 310.1540832519531 1396.506103515625 311.0442810058594 35.884803771972656 311.1158752441406 28.339284896850586 311.1560974121094 325.7237854003906 311.36895751953125 33.1655387878418 311.5823059082031 15.408333778381348 312.1236877441406 96.38844299316406 312.1690673828125 187.6097869873047 312.206787109375 396.1890563964844 312.2268371582031 652.8601684570312 312.2953186035156 12.006579399108887 312.6263427734375 23.02083396911621 312.85968017578125 23.43214225769043 313.0993957519531 38.439998626708984 313.1869201660156 1056.526611328125 313.27130126953125 38.004032135009766 314.15087890625 122.0037841796875 314.1852111816406 65.640625 317.1950988769531 587.7456665039062 319.67852783203125 32.117645263671875 320.22381591796875 24.049999237060547 320.23699951171875 10.035714149475098 323.2070007324219 285.7160949707031 324.0818786621094 19.066177368164062 324.169921875 322.27606201171875 324.20880126953125 110.0 324.7259826660156 38.46106719970703 324.8135986328125 11.03125 325.2059631347656 82.18344116210938 326.0299072265625 15.199999809265137 326.14910888671875 68.28408813476562 326.1864929199219 331.4914245605469 326.22076416015625 732.8175048828125 326.612548828125 85.14286041259766 326.82562255859375 16.440217971801758 327.1307678222656 87.52173614501953 327.1612548828125 212.18247985839844 327.1797790527344 314.8165283203125 327.2408447265625 234.87777709960938 327.7867736816406 24.072673797607422 327.931396484375 36.0239372253418 328.1717224121094 237.19668579101562 329.19818115234375 152.15277099609375 329.36669921875 24.030405044555664 329.455078125 12.5 329.5494689941406 20.02083396911621 334.1496276855469 102.45454406738281 334.1863708496094 13.086538314819336 334.2273254394531 221.38815307617188 335.18536376953125 111.14224243164062 336.2077941894531 116.15243530273438 337.19696044921875 118.61250305175781 338.1481018066406 171.79347229003906 338.2040100097656 44.85141372680664 338.244140625 557.9058837890625 338.37628173828125 22.149999618530273 339.0409240722656 10.125 339.1496276855469 11.183823585510254 339.18267822265625 257.3529357910156 339.2472229003906 65.1500015258789 340.1641845703125 338.1748352050781 340.2024841308594 1390.0262451171875 340.23760986328125 1620.9306640625 340.3173828125 17.14285659790039 340.4741516113281 11.199999809265137 341.17236328125 124.88005065917969 341.2214050292969 1923.62451171875 341.3402099609375 43.33333206176758 341.4177551269531 34.765625 341.4566345214844 32.69230651855469 341.55517578125 19.125 341.57763671875 56.20000076293945 341.719970703125 42.66666793823242 342.2209777832031 234.14822387695312 342.3801574707031 26.852272033691406 342.6116638183594 13.008333206176758 343.2132263183594 376.7202453613281 343.2868957519531 12.074999809265137 344.2196350097656 21.360294342041016 344.8907470703125 11.024999618530273 345.1693420410156 557.59716796875 345.7578430175781 96.86727142333984 346.1725769042969 177.38790893554688 347.86358642578125 21.235294342041016 350.1813049316406 66.1500015258789 350.2203063964844 140.4975128173828 351.2029724121094 1776.52880859375 351.2786560058594 19.0592098236084 351.3633117675781 39.58333206176758 351.60406494140625 39.08626937866211 352.2070007324219 64.93951416015625 353.1674499511719 61.469444274902344 354.14154052734375 44.01250076293945 354.17803955078125 56.841217041015625 354.2165222167969 1265.8367919921875 354.68408203125 30.15999984741211 355.1041564941406 89.4490737915039 355.1899719238281 106.45454406738281 355.21783447265625 346.7281799316406 355.2694091796875 698.2657470703125 355.4825744628906 18.75 356.1410217285156 114.32257843017578 356.23651123046875 62.375 356.2717590332031 16.625 357.1420593261719 140.0 357.1914367675781 1257.64892578125 357.3113708496094 17.0049991607666 358.1966552734375 169.2579803466797 358.382080078125 11.011363983154297 361.2262268066406 437.6163330078125 362.22357177734375 37.782405853271484 363.2187194824219 50.703704833984375 365.2141418457031 123.3968276977539 365.37744140625 19.446428298950195 366.24957275390625 217.06448364257812 367.178466796875 80.0 367.2464294433594 260.81964111328125 367.26788330078125 263.002685546875 367.3389587402344 14.571428298950195 367.5977478027344 19.30769157409668 367.9236755371094 20.399999618530273 368.234130859375 2752.489501953125 368.30804443359375 37.230770111083984 368.35711669921875 16.0 368.80377197265625 19.160715103149414 368.8706970214844 36.570945739746094 368.9220886230469 97.0 369.04388427734375 22.0 369.2134704589844 62950.578125 369.59002685546875 15.416666984558105 369.645751953125 28.46467399597168 369.6936340332031 93.92045593261719 369.7230224609375 129.68145751953125 369.7982482910156 110.01113891601562 369.82763671875 40.44499969482422 369.8775634765625 39.72058868408203 369.908447265625 51.6371955871582 369.9620361328125 58.80356979370117 370.0171813964844 41.14881134033203 370.050048828125 39.44643020629883 370.0853271484375 13.208333015441895 370.2158203125 9893.927734375 370.2958068847656 158.42857360839844 370.35772705078125 88.84615325927734 370.4130859375 29.024999618530273 370.5150146484375 28.111841201782227 370.5601501464844 45.93965530395508 370.7793273925781 38.404998779296875 370.9212951660156 103.18055725097656 371.0004577636719 52.40833282470703 371.02777099609375 25.038793563842773 371.21429443359375 735.5625 371.34747314453125 66.72335815429688 371.3961181640625 94.8833999633789 372.01837158203125 15.017857551574707 372.11212158203125 33.53260803222656 372.21710205078125 168.37254333496094 372.368896484375 21.600000381469727 373.16595458984375 741.731689453125 373.2987060546875 11.066176414489746 373.8978271484375 15.008333206176758 376.1775817871094 121.97014617919922 378.0909118652344 22.1358699798584 379.2317199707031 69.83333587646484 380.26995849609375 92.20999908447266 381.22821044921875 373.1177978515625 381.2847595214844 88.14684295654297 382.209716796875 94.47206115722656 382.2606506347656 82.9000015258789 382.65087890625 16.285715103149414 383.20654296875 139.03846740722656 383.2276916503906 305.12127685546875 383.26422119140625 892.4254760742188 383.3022766113281 122.18939208984375 383.5812683105469 41.78260803222656 384.2640075683594 218.1571044921875 384.72320556640625 21.266666412353516 385.1851501464844 103.9758071899414 385.2230224609375 1439.03466796875 385.31597900390625 17.225000381469727 385.54412841796875 22.75 385.6773376464844 26.328947067260742 386.2254943847656 1061.283447265625 386.2845153808594 23.022727966308594 386.65997314453125 43.4571418762207 387.2059326171875 41.150001525878906 388.3346862792969 36.0304069519043 389.1861877441406 115.4156494140625 393.2462463378906 27.25 394.2424011230469 79.01190185546875 395.24493408203125 505.4866638183594 395.3596496582031 42.2717399597168 396.2214660644531 423.11468505859375 396.2453918457031 347.9455871582031 397.207763671875 66.0887680053711 397.2602233886719 60.14814758300781 398.2181396484375 170.8072509765625 398.2475280761719 74.515625 398.2793273925781 150.00424194335938 398.75701904296875 16.173076629638672 399.23822021484375 6055.9599609375 399.3951721191406 9.009614944458008 399.4848327636719 77.1953125 399.852783203125 22.399999618530273 399.9505615234375 31.598403930664062 399.9854736328125 39.08695602416992 400.24334716796875 468.0513916015625 400.5547180175781 25.816667556762695 400.7152404785156 29.38888931274414 401.2263488769531 28.52083396911621 401.2850341796875 13.035714149475098 402.22021484375 64.1212158203125 404.0615234375 43.51250076293945 407.2381591796875 190.8672637939453 407.9101257324219 15.625 408.22943115234375 182.02975463867188 409.2203063964844 64.1891860961914 409.2755432128906 47.28409194946289 409.31158447265625 59.064517974853516 410.17498779296875 50.283451080322266 410.2257080078125 100.25 411.2387390136719 184.02206420898438 411.2956848144531 167.87110900878906 412.1794738769531 118.33069610595703 412.19781494140625 77.2272720336914 412.25421142578125 567.061279296875 412.7316589355469 23.2450008392334 413.2542724609375 6378.587890625 413.45159912109375 10.006579399108887 413.597900390625 16.25 413.614013671875 25.01785659790039 413.76641845703125 22.04166603088379 413.8696594238281 45.44643020629883 413.9811096191406 18.25 414.2554626464844 550.9008178710938 414.3205261230469 12.0 414.42657470703125 18.375 414.5326232910156 22.014705657958984 414.6738586425781 28.125 415.46661376953125 9.017857551574707 415.8634948730469 33.79999923706055 416.1983337402344 50.568397521972656 416.244384765625 9.449999809265137 418.26727294921875 99.0644760131836 419.25457763671875 9.142857551574707 421.1053161621094 16.399999618530273 421.2186584472656 78.1361083984375 421.27655029296875 133.06153869628906 422.23931884765625 2603.95068359375 422.34246826171875 12.5 423.2406005859375 635.8798217773438 423.531494140625 49.0914192199707 423.6470031738281 26.125 424.1994323730469 123.1270980834961 424.2438659667969 235.92462158203125 424.32513427734375 79.0740737915039 424.3809814453125 27.91847801208496 425.2467041015625 330.6071472167969 425.3080139160156 359.88201904296875 425.61431884765625 43.16345977783203 425.94091796875 20.008333206176758 426.15313720703125 18.480262756347656 426.2497863769531 121.54017639160156 427.215087890625 651.5994873046875 427.27288818359375 204.5631866455078 428.227294921875 9.375 428.2671813964844 440.24102783203125 428.6780700683594 36.05263137817383 429.5491943359375 30.47058868408203 430.28277587890625 30.107759475708008 434.2040100097656 59.16447448730469 435.1803283691406 14.164473533630371 435.27386474609375 138.72665405273438 436.2944030761719 36.33333206176758 437.21173095703125 79.30615997314453 437.2496643066406 139.15647888183594 437.311767578125 114.9412612915039 438.34442138671875 25.0 438.6275939941406 59.39516067504883 439.2689514160156 308.14508056640625 440.2501220703125 33044.62109375 440.4553527832031 76.02127838134766 440.54669189453125 60.6694450378418 440.6023254394531 103.46915435791016 440.67840576171875 15.5625 440.7201843261719 32.92307662963867 440.7831115722656 44.005950927734375 440.83233642578125 52.681602478027344 440.8619384765625 17.375 440.9298400878906 125.32653045654297 440.9842529296875 29.53125 441.0400390625 12.77884578704834 441.0878601074219 27.671297073364258 441.22784423828125 4765.783203125 441.250732421875 7211.693359375 441.35546875 64.41421508789062 441.49151611328125 79.48999786376953 441.7095031738281 34.306819915771484 441.90814208984375 102.5372314453125 441.9711608886719 30.48214340209961 442.09564208984375 17.102272033691406 442.1497802734375 91.44642639160156 442.230712890625 599.946044921875 442.2575988769531 830.5318603515625 442.3500671386719 16.450000762939453 442.4397888183594 15.266304016113281 442.5285339355469 53.209999084472656 442.8037414550781 27.164474487304688 442.9223327636719 20.94230842590332 443.2074890136719 140.01461791992188 443.2597961425781 226.19537353515625 447.2350158691406 34.532894134521484 447.2953186035156 34.266666412353516 448.23626708984375 25.68145179748535 448.46356201171875 28.33333396911621 450.2677307128906 108.09765625 451.2148132324219 190.61984252929688 451.236572265625 196.75 451.96868896484375 42.33333206176758 452.25799560546875 395.52557373046875 452.2976379394531 114.265625 453.28106689453125 582.6124877929688 454.1385803222656 40.56402587890625 454.24395751953125 93.125 454.29736328125 229.1052703857422 454.33807373046875 91.01461029052734 454.46990966796875 11.0 455.24365234375 153.654541015625 455.34381103515625 53.00862121582031 456.00067138671875 32.89285659790039 456.2611083984375 523.7476196289062 457.0884704589844 14.008333206176758 457.2142639160156 82.80131530761719 457.2619323730469 82.49038696289062 458.25830078125 148.5727996826172 459.24871826171875 74.36363983154297 463.2683410644531 301.299072265625 463.32763671875 12.556818008422852 466.2121276855469 45.58333206176758 466.2344055175781 30.01388931274414 466.2810363769531 171.2083282470703 466.3096923828125 169.3463134765625 467.24737548828125 112.99361419677734 467.3020935058594 1420.0592041015625 467.7720031738281 36.5 467.8326721191406 37.662235260009766 468.23583984375 370.7882385253906 468.2994689941406 412.6803283691406 468.38934326171875 9.25 468.5461730957031 17.066177368164062 469.0046691894531 21.007352828979492 469.2251281738281 1322.483154296875 469.2615966796875 292.55108642578125 469.3005065917969 77.22222137451172 469.5614013671875 25.045454025268555 470.2250061035156 647.4197387695312 470.2745666503906 570.9153442382812 470.3077697753906 155.5200653076172 470.64556884765625 15.225000381469727 471.16552734375 11.074999809265137 471.28106689453125 102.9200439453125 471.3136901855469 126.67361450195312 472.23199462890625 900.3325805664062 473.2375793457031 98.04521179199219 474.40521240234375 47.03601837158203 476.3099060058594 64.11538696289062 477.2773742675781 57.11680221557617 480.29412841796875 334.4958801269531 480.7419738769531 9.556818008422852 480.9389953613281 11.208333015441895 481.26910400390625 76.40691375732422 481.31781005859375 595.0198364257812 481.9714050292969 12.25 482.28192138671875 432.45001220703125 482.3355712890625 784.49560546875 482.4249572753906 14.166666984558105 482.4788513183594 34.53779220581055 483.2808532714844 197.11009216308594 483.3369445800781 59.0 484.24566650390625 119.8227310180664 484.2913818359375 736.6675415039062 484.3258972167969 471.3007507324219 484.8076477050781 13.074999809265137 485.2206115722656 31.4494686126709 485.28350830078125 142.5977020263672 485.3305969238281 167.78125 486.1870422363281 35.71428680419922 486.2496337890625 9190.65625 486.356689453125 133.06382751464844 486.49603271484375 13.920454978942871 486.527587890625 15.125 486.6147766113281 48.33611297607422 486.6684875488281 23.20833396911621 486.7450866699219 25.556034088134766 486.9891662597656 12.183823585510254 487.01953125 12.050000190734863 487.152587890625 61.6173095703125 487.2525634765625 2504.385009765625 487.3671875 30.80500030517578 487.9461669921875 33.025001525878906 488.2408142089844 88.68181610107422 490.272216796875 172.04457092285156 490.34033203125 73.86428833007812 493.3154602050781 671.8411865234375 493.8575744628906 37.36742401123047 494.2842712402344 108.88941955566406 494.32855224609375 149.25621032714844 494.79766845703125 37.760135650634766 496.23333740234375 425.41119384765625 496.3350830078125 86.59259033203125 496.3643798828125 42.92045593261719 497.2310791015625 88.00657653808594 497.2687683105469 245.20472717285156 497.312255859375 58.24038314819336 498.24932861328125 207.61441040039062 498.3068542480469 2155.9697265625 498.4042053222656 20.100000381469727 498.49627685546875 25.125 498.933837890625 20.720237731933594 498.9634094238281 17.102272033691406 499.3086242675781 280.4601745605469 499.3504333496094 80.16598510742188 502.2812194824219 92.70282745361328 503.2790222167969 170.375 504.2471618652344 127.44193267822266 504.2713928222656 116.64090728759766 507.3041076660156 87.03125 508.32183837890625 213.31968688964844 508.363525390625 149.875 509.29229736328125 208.10781860351562 509.36328125 19.440217971801758 510.304931640625 418.0058898925781 510.6180419921875 10.01388931274414 510.6888427734375 11.408333778381348 511.3255310058594 422.0013122558594 512.1502685546875 16.59558868408203 512.1893920898438 25.350000381469727 512.3236083984375 1194.3797607421875 512.8329467773438 43.69565200805664 513.324951171875 547.941162109375 513.407470703125 15.03125 514.1049194335938 16.285715103149414 515.2490234375 110.90582275390625 518.2933349609375 30.25 520.6215209960938 19.450000762939453 521.30712890625 764.5377807617188 521.6223754882812 17.20833396911621 522.1226196289062 29.321807861328125 522.2257690429688 28.25 522.3092041015625 268.009521484375 523.0751953125 9.086538314819336 523.2667236328125 139.23243713378906 523.3134765625 20.0 523.4723510742188 9.007352828979492 524.3427734375 354.0044860839844 525.2655029296875 175.16363525390625 525.327880859375 108.35576629638672 525.3729248046875 40.04999923706055 525.7539672851562 26.183822631835938 526.2801513671875 252.27471923828125 526.3139038085938 305.8409118652344 526.3386840820312 304.2064208984375 526.5834350585938 21.04166603088379 526.959228515625 11.28125 527.2978515625 354.39715576171875 527.32958984375 285.716064453125 528.0547485351562 25.0 528.3373413085938 60.23147964477539 529.2942504882812 134.3142852783203 529.9720458984375 55.20500183105469 530.269775390625 70.52941131591797 534.2564086914062 102.48076629638672 535.3684692382812 18.360294342041016 536.30126953125 26.852272033691406 537.2652587890625 68.08036041259766 537.3170166015625 95.00227355957031 538.2841186523438 228.3605499267578 538.330810546875 164.4845428466797 539.2413330078125 55.21542739868164 539.318115234375 9185.0439453125 539.4679565429688 25.16666603088379 539.5955810546875 17.363636016845703 539.901611328125 27.816667556762695 540.071533203125 40.01250076293945 540.122314453125 16.450000762939453 540.3121337890625 1681.3232421875 540.3941040039062 86.57398223876953 541.30517578125 710.211181640625 541.3411254882812 464.5867919921875 541.7108764648438 30.071428298950195 542.3305053710938 113.7934799194336 542.6812133789062 10.208333015441895 543.2719116210938 364.5997619628906 543.3046264648438 261.00341796875 545.281005859375 12.008333206176758 547.1727905273438 40.09090805053711 547.2909545898438 64.20500183105469 547.7244262695312 24.273649215698242 547.9844970703125 53.068180084228516 548.2128295898438 74.14286041259766 550.2779541015625 123.73780822753906 550.3932495117188 29.140625 551.2862548828125 278.86724853515625 551.6783447265625 23.125 552.2852172851562 46.014705657958984 552.3527221679688 328.0145263671875 553.2444458007812 44.764705657958984 553.3270874023438 600.1487426757812 553.3716430664062 160.41421508789062 553.8609619140625 19.197580337524414 554.3132934570312 2790.766845703125 554.58349609375 16.53125 554.9679565429688 17.65441131591797 555.0138549804688 22.071428298950195 555.0629272460938 10.0 555.2730102539062 104.3829345703125 555.3223266601562 860.6077880859375 555.4297485351562 10.160714149475098 555.5975952148438 12.892857551574707 555.6365356445312 49.33333206176758 555.6632690429688 45.25 555.7509765625 23.14285659790039 556.3387451171875 165.1764678955078 556.3972778320312 17.226852416992188 556.6422729492188 46.51524353027344 557.3190307617188 1148.517578125 557.979248046875 17.015625 558.3228149414062 277.936279296875 559.2677612304688 34.92091751098633 560.3446655273438 35.03125 564.2979125976562 276.47265625 564.931640625 47.21542739868164 565.2407836914062 106.0049057006836 565.2977905273438 160.90316772460938 565.350830078125 57.281978607177734 565.384033203125 125.33064270019531 565.6502685546875 32.19047546386719 565.8387451171875 13.449999809265137 566.3703002929688 199.028564453125 567.3106079101562 59.32661437988281 567.3684692382812 56.094696044921875 567.43701171875 109.42105102539062 568.2913208007812 58.58035659790039 569.3146362304688 20.004629135131836 569.3738403320312 127.41522979736328 570.2849731445312 34.140625 570.345703125 129.5200653076172 571.296142578125 211.3265380859375 571.3388671875 1399.125244140625 571.5704956054688 12.25 571.9275512695312 18.160715103149414 571.9773559570312 29.10714340209961 572.1910400390625 15.347222328186035 572.3347778320312 223.00588989257812 572.4356689453125 44.66911697387695 577.3499145507812 123.88287353515625 578.3825073242188 59.2717399597168 579.3314208984375 52.36742401123047 579.3594970703125 58.22321319580078 580.3441772460938 360.3934020996094 581.3433837890625 88.25635528564453 582.3058471679688 351.497802734375 583.3133544921875 183.73863220214844 583.3607177734375 425.5794372558594 583.7069091796875 46.0024528503418 584.3609619140625 85.38272857666016 585.31884765625 1496.643798828125 585.4093627929688 13.005952835083008 586.3197631835938 897.8037719726562 586.363037109375 182.74227905273438 587.3253784179688 147.68170166015625 587.7052612304688 51.165985107421875 588.2581176757812 86.01041412353516 590.3345947265625 42.004032135009766 591.3062744140625 54.36000061035156 592.3707275390625 84.28938293457031 593.380615234375 65.24066925048828 594.3014526367188 134.25527954101562 595.30126953125 365.4924011230469 595.3677368164062 85.97634887695312 596.2952880859375 107.18408966064453 596.3384399414062 78.72115325927734 596.400390625 23.33333396911621 597.2821044921875 90.08333587646484 597.37451171875 175.0390167236328 598.2763671875 81.60576629638672 598.3350830078125 51.82276153564453 598.3770141601562 14.009614944458008 598.4789428710938 32.76861572265625 598.5426635742188 9.75 599.3330688476562 4412.24072265625 599.3903198242188 307.8374938964844 599.8984375 24.60357093811035 600.3379516601562 1683.1019287109375 600.8173217773438 12.074999809265137 601.2510375976562 48.573978424072266 601.6010131835938 36.565216064453125 602.3472290039062 27.125 603.339111328125 112.0101318359375 605.8048706054688 34.33796310424805 607.26123046875 39.85969543457031 607.363525390625 102.00463104248047 607.6636352539062 15.796052932739258 609.3153686523438 229.7083282470703 609.38671875 88.60166931152344 610.2765502929688 20.32661247253418 610.3228149414062 88.00244903564453 610.8087158203125 23.816667556762695 610.9732055664062 54.01785659790039 611.3262939453125 270.0113525390625 611.3796997070312 295.4802551269531 612.0106201171875 13.322368621826172 612.3654174804688 150.0500030517578 612.400390625 229.09512329101562 613.042724609375 40.15705108642578 613.2902221679688 13.0625 613.3941650390625 183.0 614.3128051757812 153.96490478515625 614.3964233398438 143.60092163085938 615.3399047851562 15.625 616.3657836914062 82.1212158203125 620.31982421875 23.34722137451172 620.3785400390625 545.7096557617188 621.3278198242188 42.5 621.3831176757812 251.62887573242188 621.643798828125 11.007352828979492 622.3328247070312 172.16554260253906 622.4144287109375 250.11842346191406 622.5194702148438 124.81717681884766 623.4052124023438 236.36134338378906 623.471923828125 12.142857551574707 624.3899536132812 172.7959442138672 625.3125 77.45714569091797 625.3465576171875 347.0452880859375 625.4071655273438 254.10345458984375 626.3630981445312 217.44454956054688 626.3963012695312 250.1328582763672 626.4842529296875 24.032142639160156 626.9335327148438 39.016666412353516 627.3189086914062 582.2894897460938 627.6929321289062 42.0184440612793 628.3016967773438 115.089599609375 628.3316040039062 95.11129760742188 632.37353515625 93.0018081665039 633.3677368164062 16.125 636.3218994140625 63.408897399902344 636.36767578125 66.36742401123047 637.3085327148438 131.75 637.4075317382812 134.2723846435547 638.1936645507812 34.42856979370117 638.3865356445312 2499.64892578125 638.5531616210938 32.760135650634766 638.6165161132812 81.3652572631836 639.3880615234375 1067.2864990234375 639.4918823242188 30.100000381469727 640.2972412109375 17.799999237060547 640.367431640625 149.61764526367188 640.4049682617188 287.56005859375 640.50927734375 14.77884578704834 641.2482299804688 36.245689392089844 641.79541015625 21.487903594970703 642.0525512695312 33.890625 642.3348388671875 126.8489990234375 642.3804321289062 21.375 643.3375854492188 117.2545166015625 643.3719482421875 87.24324035644531 644.3311767578125 246.72500610351562 645.35546875 13.125 647.2920532226562 12.75 650.3760986328125 74.60166931152344 651.4202880859375 48.12076187133789 652.3954467773438 237.0636749267578 653.3824462890625 682.021240234375 654.3833618164062 371.2592468261719 655.1968383789062 52.375 655.300048828125 92.40833282470703 656.3528442382812 227.9002227783203 656.388916015625 209.3829803466797 656.4647827148438 35.592105865478516 656.6298217773438 22.36111068725586 656.9681396484375 38.78571319580078 657.3616943359375 290.910888671875 658.3067016601562 17.100000381469727 658.3565063476562 18.920454025268555 660.373291015625 54.032142639160156 661.3501586914062 71.40664672851562 661.4912109375 9.050000190734863 663.3628540039062 117.15243530273438 664.3743896484375 79.48780822753906 664.418212890625 59.55577087402344 665.4340209960938 266.6327209472656 666.3419799804688 73.00320434570312 666.3701782226562 78.44047546386719 666.4132080078125 244.09007263183594 666.7120361328125 25.52083396911621 666.9951782226562 20.32661247253418 667.3969116210938 1166.2900390625 667.5128173828125 22.604999542236328 667.7576904296875 24.5625 667.9186401367188 28.816667556762695 668.4194946289062 838.9017944335938 669.3106079101562 29.024999618530273 669.3558959960938 24.235294342041016 669.4036865234375 64.46944427490234 669.4279174804688 65.0190658569336 670.24560546875 14.074999809265137 670.3718872070312 105.2249984741211 670.4041748046875 220.59571838378906 671.4146118164062 111.00454711914062 671.8206787109375 30.68055534362793 672.3294067382812 332.08087158203125 672.5849609375 19.032142639160156 673.3322143554688 90.0952377319336 673.6945190429688 49.689998626708984 673.836181640625 26.844999313354492 676.1384887695312 30.489864349365234 678.3981323242188 107.89850616455078 679.1492919921875 25.556034088134766 680.3903198242188 125.07621765136719 681.385009765625 40.0 681.4309692382812 124.02765655517578 682.299072265625 55.531864166259766 682.4185180664062 165.59413146972656 683.1333618164062 21.225000381469727 683.4552612304688 101.26447296142578 684.3903198242188 851.9193725585938 685.0427856445312 11.074999809265137 685.2407836914062 18.200000762939453 685.3427734375 39.810001373291016 685.390869140625 170.73513793945312 686.39111328125 26.04166603088379 688.3936157226562 79.125 691.4467163085938 142.1999969482422 692.4087524414062 60.1328125 692.4595336914062 98.65789794921875 693.4021606445312 145.55682373046875 694.37890625 273.35565185546875 694.4010620117188 261.6151428222656 695.2781372070312 14.019230842590332 695.3729858398438 291.1154479980469 696.4019165039062 268.7083435058594 696.5066528320312 9.024999618530273 696.8081665039062 26.72058868408203 696.9043579101562 13.125 697.19580078125 18.480262756347656 697.3567504882812 64.48999786376953 697.4193725585938 68.69422912597656 698.2159423828125 103.546875 698.2967529296875 102.351806640625 698.4002685546875 2111.805908203125 698.5013427734375 18.0 699.1583251953125 23.55769157409668 699.2216186523438 113.125 699.4014892578125 422.01226806640625 699.5258178710938 33.14881134033203 700.4097290039062 11.571428298950195 701.4248046875 76.52155303955078 701.7390747070312 26.23546600341797 704.3858032226562 159.8072509765625 704.4186401367188 111.00112915039062 707.360107421875 98.49342346191406 708.3799438476562 82.38021087646484 708.99658203125 17.44444465637207 710.3456420898438 23.160715103149414 710.4031982421875 19.1488094329834 710.4545288085938 210.09091186523438 711.4146728515625 61.796051025390625 712.4169311523438 1284.91357421875 712.790283203125 9.68055534362793 712.89697265625 19.339284896850586 713.0078125 67.9758071899414 713.4127197265625 249.05482482910156 713.5382690429688 18.014705657958984 713.9154052734375 46.903690338134766 714.4117431640625 62.63377380371094 715.4482421875 43.16071319580078 719.4456787109375 1171.6549072265625 719.5489501953125 14.0 719.9664306640625 22.16666603088379 720.4561767578125 162.17391967773438 721.4411010742188 56.25714111328125 722.4027099609375 140.02883911132812 723.4361572265625 89.24137878417969 723.4757080078125 47.22321319580078 724.4099731445312 242.18338012695312 726.3772583007812 134.47206115722656 727.3765869140625 272.0206298828125 727.9846801757812 12.164473533630371 729.41357421875 92.9274673461914 729.43896484375 94.619384765625 734.3934936523438 139.55714416503906 736.421630859375 28.16532325744629 736.4796142578125 28.01785659790039 737.4108276367188 94.68055725097656 737.4559936523438 280.67999267578125 738.4343872070312 180.48387145996094 739.0538940429688 22.045000076293945 739.4305419921875 205.32142639160156 739.464111328125 263.8009948730469 740.3943481445312 1194.1385498046875 741.3179931640625 33.0 741.4139404296875 911.6417846679688 741.5874633789062 82.4472885131836 741.8096923828125 34.78125 742.1260986328125 76.68269348144531 742.3341064453125 16.899999618530273 742.4251708984375 361.1383972167969 743.4051513671875 22.04166603088379 744.3497924804688 22.107759475708008 747.4320068359375 13.44444465637207 750.3695068359375 187.81101989746094 750.4539184570312 9.086538314819336 751.4619140625 193.619384765625 752.450927734375 369.3740234375 753.3580322265625 27.016666412353516 753.3980102539062 105.625 753.451171875 227.77883911132812 753.481201171875 217.8890838623047 753.5610961914062 9.68055534362793 753.748779296875 38.03409194946289 754.359130859375 34.05882263183594 754.4769287109375 16.242647171020508 755.4285278320312 374.755126953125 756.3692016601562 63.67856979370117 756.42626953125 253.3784942626953 756.4536743164062 150.9204559326172 757.3092041015625 54.635562896728516 757.4188842773438 336.1080627441406 758.4212646484375 150.39126586914062 762.3629760742188 37.066490173339844 762.4301147460938 56.042808532714844 763.4307250976562 42.52155303955078 765.4423828125 85.65322875976562 766.4442138671875 124.51271057128906 766.4661865234375 112.16071319580078 767.4043579101562 383.6049499511719 767.4910278320312 101.07040405273438 767.5300903320312 21.100000381469727 768.40478515625 217.4152374267578 769.4258422851562 92.05123138427734 769.459228515625 210.20643615722656 770.4411010742188 93.17021179199219 771.392822265625 364.42242431640625 772.3958740234375 46.00862121582031 772.6188354492188 26.455644607543945 779.460205078125 248.16050720214844 780.459228515625 89.23837280273438 781.454833984375 39.570945739746094 781.5029907226562 198.95269775390625 781.6688842773438 14.005952835083008 782.5064697265625 99.05000305175781 783.4550170898438 184.08367919921875 783.48876953125 131.58035278320312 783.8840942382812 11.408333778381348 784.405517578125 172.75 784.862548828125 26.89285659790039 785.3665161132812 86.16620635986328 785.4151000976562 1888.2755126953125 785.673828125 22.30681800842285 786.287353515625 144.08888244628906 786.3616333007812 21.55681800842285 786.413330078125 914.4429321289062 787.4198608398438 154.1488037109375 788.385986328125 40.9262809753418 792.4932250976562 119.77149963378906 793.4746704101562 112.0 793.50830078125 74.3828125 794.4288330078125 28.047618865966797 795.4716796875 24.0 796.0446166992188 18.285715103149414 796.4071044921875 29.0 797.4710693359375 305.39715576171875 797.9739990234375 47.344512939453125 798.3798217773438 56.030303955078125 798.4575805664062 107.08695983886719 799.4969482421875 32.21052551269531 803.4215698242188 41.907257080078125 807.4512939453125 75.13623809814453 808.4865112304688 44.72321319580078 809.4765014648438 172.48529052734375 810.4903564453125 83.73529052734375 811.4814453125 153.14674377441406 812.4813232421875 191.58172607421875 813.4096069335938 67.49342346191406 814.3949584960938 24.840909957885742 817.4822998046875 41.0625 818.0523681640625 15.022727012634277 819.4931640625 13.03125 821.4727783203125 50.52355194091797 823.5236206054688 100.59558868408203 823.5640869140625 25.053571701049805 824.5108642578125 56.25 825.4712524414062 148.2578125 826.4747314453125 219.1842041015625 827.6268920898438 67.18421173095703 828.4454956054688 109.7120361328125 829.4617919921875 51.375 830.3941650390625 20.003787994384766 831.4208374023438 26.024999618530273 834.5408325195312 83.47058868408203 835.4637451171875 42.4879035949707 836.4776611328125 62.20000076293945 838.4288940429688 79.71674346923828 838.4743041992188 232.32223510742188 839.4586791992188 321.1112060546875 839.5150146484375 99.03955841064453 839.7738037109375 34.375 839.9512329101562 27.08333396911621 840.40283203125 42.896278381347656 840.50244140625 213.65383911132812 841.1054077148438 52.349998474121094 841.489501953125 126.76333618164062 841.86083984375 18.004032135009766 842.43359375 58.306819915771484 842.474365234375 33.64285659790039 842.9301147460938 12.675000190734863 846.4613037109375 153.02438354492188 846.72412109375 12.007352828979492 847.4618530273438 25.125 850.4567260742188 19.115739822387695 850.5093994140625 74.30769348144531 851.5147705078125 64.53289794921875 852.447021484375 25.52083396911621 852.494384765625 117.10658264160156 852.5446166992188 141.06153869628906 853.4771728515625 614.98876953125 854.4993286132812 737.471435546875 855.4959716796875 224.13426208496094 856.4863891601562 284.4448547363281 857.326416015625 60.7779426574707 857.4913330078125 226.1238555908203 861.5397338867188 212.95108032226562 865.5204467773438 23.765625 866.4913940429688 61.08333206176758 867.4828491210938 98.0190658569336 867.54736328125 111.0625 868.5341796875 158.60166931152344 870.4513549804688 56.003570556640625 870.50439453125 141.3024139404297 871.4352416992188 13.027777671813965 871.4986572265625 100.93852233886719 877.4321899414062 48.16128921508789 877.533935546875 104.34027862548828 878.5404663085938 28.69444465637207 879.4874267578125 63.15705108642578 879.5474853515625 56.52083206176758 880.483154296875 131.80172729492188 880.788330078125 11.208333015441895 880.8841552734375 18.125 881.4774780273438 94.10745239257812 881.7367553710938 14.399999618530273 882.4744262695312 124.2549057006836 882.56298828125 25.625 883.5077514648438 60.400001525878906 883.9136962890625 17.405000686645508 884.47802734375 775.1265258789062 885.4899291992188 248.62142944335938 885.8059692382812 18.225000381469727 892.5448608398438 42.00227355957031 894.57080078125 103.7202377319336 896.5309448242188 32.65760803222656 897.4910888671875 63.952701568603516 898.4996337890625 1126.49658203125 898.6224975585938 10.160714149475098 899.493408203125 580.64453125 899.59228515625 12.086538314819336 905.3192749023438 14.204545021057129 905.513916015625 309.4310607910156 906.1978149414062 18.91847801208496 906.52392578125 178.3463134765625 907.1286010742188 26.363636016845703 909.4765625 20.0 909.5623168945312 57.111488342285156 910.3939819335938 9.375 910.5376586914062 127.23155975341797 911.5503540039062 68.40833282470703 912.474853515625 135.03878784179688 913.896484375 24.174999237060547 914.4446411132812 117.97086334228516 914.5203857421875 80.65681457519531 915.5093994140625 81.8801040649414 915.9070434570312 24.396739959716797 916.5230102539062 48.16128921508789 916.5665283203125 11.024999618530273 921.4808959960938 77.0018081665039 922.56689453125 17.048913955688477 923.5345458984375 712.0750122070312 924.531494140625 311.0 924.5903930664062 54.44047546386719 925.5306396484375 181.2050018310547 926.4624633789062 113.26284790039062 927.4850463867188 169.81666564941406 927.5222778320312 255.95652770996094 928.5113525390625 9.800000190734863 931.5609130859375 10.225000381469727 936.5948486328125 29.00255012512207 937.5113525390625 461.9262390136719 937.6267700195312 83.09469604492188 938.4992065429688 88.41666412353516 938.5426635742188 76.73975372314453 939.5230712890625 173.85714721679688 939.5867919921875 148.6896514892578 940.5101928710938 24.066667556762695 940.584228515625 38.0 941.007080078125 34.69444274902344 941.52783203125 123.5625 942.5450439453125 61.18382263183594 944.4979248046875 111.18382263183594 949.5642700195312 196.56333923339844 949.64697265625 11.47115421295166 951.5558471679688 89.71627044677734 952.5348510742188 43.400001525878906 953.4701538085938 9.347222328186035 953.55419921875 227.1201934814453 954.4690551757812 18.115739822387695 954.5878295898438 144.15277099609375 955.5371704101562 220.92591857910156 956.545166015625 130.91891479492188 960.5520629882812 61.28166580200195 966.3386840820312 36.4934196472168 967.5814208984375 324.2495422363281 967.69775390625 9.160714149475098 968.571044921875 85.04878234863281 969.574951171875 114.3675765991211 970.6075439453125 25.0 970.9111938476562 12.675000190734863 971.4932861328125 241.2228240966797 971.5594482421875 36.01250076293945 972.4796752929688 38.01250076293945 977.3743286132812 30.01785659790039 979.5853271484375 21.1488094329834 980.5564575195312 143.1720733642578 980.8792114257812 9.0 981.5848999023438 62.30867385864258 982.5579833984375 111.640625 982.5935668945312 74.53778839111328 983.5545654296875 69.0 983.933837890625 11.68055534362793 984.1663208007812 21.032142639160156 984.4618530273438 9.556818008422852 984.602783203125 27.33333396911621 985.5490112304688 29.440217971801758 989.716796875 13.083333015441895 990.614990234375 34.0 993.4910888671875 51.09375 994.5326538085938 30.575000762939453 994.6312255859375 76.2727279663086 994.7615356445312 18.604999542236328 994.9356079101562 35.30769348144531 995.5620727539062 69.07267761230469 996.5648193359375 49.720237731933594 997.4779663085938 32.16447448730469 997.56005859375 287.7159729003906 998.5662841796875 190.0523223876953 1004.5435791015625 44.10714340209961 1005.5549926757812 37.102272033691406 1006.58837890625 85.0 1008.5560913085938 25.785715103149414 1009.559814453125 112.375 1010.5844116210938 53.400001525878906 1010.6185913085938 42.97635269165039 1013.5499267578125 13.225000381469727 1018.6055908203125 414.1428527832031 1020.6136474609375 12.041666984558105 1023.5670776367188 71.77806091308594 1024.5880126953125 133.6704559326172 1026.564697265625 13.006579399108887 1036.6055908203125 220.2930145263672 1037.09423828125 20.107759475708008 1037.62158203125 61.89285659790039 1037.6866455078125 15.208333015441895 1038.6202392578125 59.9262809753418 1039.171875 17.34722137451172 1039.536865234375 110.69811248779297 1040.5301513671875 37.346309661865234 1040.5872802734375 213.0238037109375 1041.59228515625 113.08401489257812 1042.59326171875 61.05921173095703 1043.5587158203125 50.0 1048.6107177734375 32.004032135009766 1051.6209716796875 83.51041412353516 1052.544921875 43.77777862548828 1052.64111328125 18.01785659790039 1053.6431884765625 75.0062484741211 1054.594970703125 154.28929138183594 1057.4111328125 17.405000686645508 1058.17919921875 30.964284896850586 1064.6051025390625 21.875 1065.6614990234375 88.7249984741211 1067.351806640625 18.480262756347656 1067.565673828125 50.17287063598633 1068.6070556640625 108.8448257446289 1069.7864990234375 31.02083396911621 1071.5870361328125 44.265625 1076.4239501953125 11.77884578704834 1078.6429443359375 93.5079116821289 1079.651123046875 24.450000762939453 1080.45751953125 51.165985107421875 1081.665771484375 74.81500244140625 1082.6195068359375 88.875 1084.590087890625 78.67045593261719 1085.571044921875 142.6095428466797 1089.595947265625 30.30769157409668 1094.5654296875 17.076923370361328 1095.6114501953125 58.183441162109375 1096.632568359375 182.60166931152344 1097.6356201171875 309.2337951660156 1099.7752685546875 16.28125 1103.62548828125 20.52155113220215 1104.4957275390625 17.066667556762695 1108.6243896484375 68.72321319580078 1109.6397705078125 118.53519439697266 1111.6689453125 25.125 1114.52978515625 30.038793563842773 1120.841796875 24.36111068725586 1124.6131591796875 74.34451293945312 1125.6451416015625 67.20500183105469 1126.9024658203125 17.36111068725586 1128.614501953125 47.125 1132.6300048828125 17.005952835083008 1138.6246337890625 34.603572845458984 1139.647216796875 230.65390014648438 1140.6580810546875 85.58064270019531 1145.625732421875 194.44642639160156 1146.6202392578125 115.93103790283203 1150.675048828125 13.005000114440918 1151.7161865234375 138.4802703857422 1151.7943115234375 14.11111068725586 1152.6666259765625 11.005952835083008 1153.6612548828125 76.00320434570312 1155.6300048828125 122.43289184570312 1162.664306640625 86.0804443359375 1176.6868896484375 85.24281311035156 1183.6419677734375 42.0304069519043 1184.6458740234375 32.0476188659668 1187.0145263671875 62.11265563964844 1187.575927734375 42.24137878417969 1192.73974609375 29.38888931274414 1195.7003173828125 353.4464416503906 1196.698486328125 65.13224792480469 1197.661865234375 114.07625579833984 1204.685546875 116.54326629638672 1222.69677734375 195.2544708251953 1223.7001953125 140.42942810058594 1225.435791015625 33.39858627319336 1226.677001953125 91.12281036376953 1226.76123046875 26.071428298950195 1235.6456298828125 65.36007690429688 1237.02490234375 57.18939208984375 1237.2796630859375 10.240385055541992 1237.486083984375 64.52027130126953 1238.728271484375 171.73707580566406 1239.736083984375 42.0113639831543 1241.9979248046875 9.333333015441895 1245.1309814453125 14.008333206176758 1245.730712890625 19.01785659790039 1250.0264892578125 26.11111068725586 1252.840087890625 22.03125 1255.6937255859375 31.07621955871582 1266.748779296875 30.266666412353516 1267.7425537109375 106.5706558227539 1268.7518310546875 24.446428298950195 1282.7177734375 80.16345977783203 1283.707275390625 58.6136360168457 1283.78125 9.050000190734863 1290.8017578125 17.5 1300.820556640625 35.165985107421875 1305.261474609375 18.480262756347656 1306.7386474609375 10.0 1307.59130859375 31.0592098236084 1317.757080078125 53.032142639160156 1318.765869140625 247.96304321289062 1323.7872314453125 58.67499923706055 1324.73779296875 27.0 1335.7740478515625 147.30653381347656 1336.786376953125 101.42617797851562 1337.82568359375 58.00694274902344 1338.6259765625 31.761905670166016 1338.7947998046875 53.845001220703125 1361.8228759765625 36.08928680419922 1379.853759765625 110.52365112304688 1409.8306884765625 77.2545166015625 1429.50048828125 12.041666984558105 1443.829833984375 20.75 1443.9215087890625 12.25 1448.80810546875 28.00657844543457 1453.80908203125 55.80644989013672 1470.806884765625 14.889705657958984 1477.87158203125 51.0 1478.8729248046875 24.0 1492.8121337890625 41.33928680419922 1513.8505859375 19.480770111083984 1520.315673828125 36.016666412353516 1521.8602294921875 80.21951293945312 1522.863525390625 120.6740493774414 1535.3271484375 154.04344177246094 1541.8651123046875 16.0049991607666 1576.3900146484375 9.375 1584.403076171875 31.5 1606.8975830078125 44.88999938964844 1656.26611328125 63.421051025390625 1663.1409912109375 23.04166603088379 1687.2294921875 53.573978424072266 1707.9476318359375 15.266304016113281 1739.0859375 18.04166603088379 1783.004150390625 75.20833587646484 1854.322021484375 24.56818199157715 1870.684814453125 19.0 1931.7005615234375 19.211206436157227 1966.7921142578125 26.560184478759766 1978.9041748046875 31.117647171020508 END IONS BEGIN IONS TITLE=CCMSLIB00005723260 PEPMASS=837.534584 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=20.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_C3_Roxithromycin.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Roxithromycin_20eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed 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]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)\C(=N/OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O INCHI=InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1 INCHIAUX=RXZBMPWDPOLZGW-XMRMVWPWSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723260 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723260 SCANS=225692 53.03889083862305 1483.079833984375 55.05437088012695 11329.8466796875 57.033782958984375 1110.3892822265625 57.057647705078125 2550.037109375 57.06873321533203 895.5599975585938 58.06534957885742 3381.164306640625 59.04952621459961 11665.5615234375 67.05416870117188 807.4061889648438 69.03334045410156 756.625 69.07007598876953 1210.353759765625 70.06500244140625 1981.9434814453125 71.07330322265625 982.3834838867188 71.08493041992188 978.5860595703125 72.08087921142578 54657.9765625 73.05229187011719 1251.68603515625 73.06446075439453 1004.0492553710938 73.08316040039062 564.156982421875 77.05990600585938 1404.0206298828125 81.06951141357422 1557.93896484375 83.0491943359375 279663.9375 84.0522689819336 4908.0400390625 84.0806884765625 4107.9794921875 85.02738189697266 1044.729736328125 85.0654525756836 897.0001220703125 86.05956268310547 511.210205078125 87.04389953613281 15921.65625 88.07544708251953 8870.0048828125 89.0595932006836 3108.340087890625 95.048583984375 867.6484985351562 97.0640869140625 1158.119140625 98.05992126464844 1172.77587890625 98.0963134765625 65956.34375 99.07992553710938 6717.7890625 99.10218048095703 2820.1171875 100.07550048828125 7974.09375 100.1121597290039 588.509033203125 102.09081268310547 669.5103759765625 109.06433868408203 3809.42138671875 109.10069274902344 1437.00927734375 110.10118865966797 563.355712890625 113.05943298339844 32928.05078125 114.06256103515625 604.9226684570312 114.09112548828125 11375.91796875 115.07516479492188 43902.921875 116.0704116821289 80018.2890625 116.10657501220703 673308.6875 117.07415771484375 1471.93994140625 117.10990142822266 11816.7353515625 123.08023834228516 4599.13427734375 124.11126708984375 2269.098388671875 125.09593200683594 1554.6728515625 127.0750961303711 69264.2578125 128.0784149169922 1516.6885986328125 128.1064910888672 2146.922119140625 137.09603881835938 586.150390625 140.107177734375 2200.751220703125 142.1220703125 10024.53125 143.06971740722656 958.5241088867188 143.1057586669922 555.5056762695312 154.12234497070312 941.8016967773438 156.10267639160156 1084.104736328125 158.11790466308594 3087418.5 159.1007537841797 6976.50244140625 159.1206512451172 86262.578125 160.13290405273438 2620.138427734375 170.11669921875 1071.1514892578125 176.12759399414062 16080.390625 177.12957763671875 759.2267456054688 180.13833618164062 910.2489013671875 183.10153198242188 1251.8035888671875 192.13775634765625 628.9658203125 193.12220764160156 2618.50439453125 196.133056640625 1177.148193359375 204.1596221923828 1023.1074829101562 210.1479034423828 556.1013793945312 211.1317596435547 1343.735595703125 213.14938354492188 521.5723266601562 221.11669921875 2792.226806640625 233.15374755859375 2953.52587890625 238.14187622070312 554.7283935546875 238.17861938476562 795.8942260742188 239.12782287597656 4901.6201171875 246.16981506347656 11633.0908203125 263.1990966796875 653.5810546875 264.1585693359375 1089.321533203125 264.17938232421875 1720.103515625 268.1903991699219 621.0563354492188 269.17340087890625 957.311279296875 272.18377685546875 736.5520629882812 274.19952392578125 1236.2088623046875 278.2126159667969 1005.611328125 282.1695251464844 2304.078857421875 284.18499755859375 5702.8642578125 286.2010192871094 856.0369873046875 289.17962646484375 1762.44384765625 296.22039794921875 969.7540283203125 300.1805114746094 653.946044921875 304.19110107421875 671.4712524414062 307.18902587890625 1484.29931640625 310.1642150878906 629.1080322265625 316.2119445800781 69872.3984375 317.2151184082031 5663.662109375 322.2025146484375 684.0193481445312 325.2006530761719 12773.97265625 326.2040100097656 837.133056640625 336.2511901855469 882.6666870117188 342.22723388671875 2735.8447265625 343.2255859375 746.272216796875 344.22198486328125 773.4307861328125 347.2207946777344 1377.2640380859375 358.2222900390625 973.779296875 360.23797607421875 559.2686157226562 362.2316589355469 2649.19384765625 365.23211669921875 5346.330078125 366.2375183105469 470.68798828125 380.24273681640625 17406.443359375 381.2450866699219 1319.5042724609375 383.2425537109375 18380.228515625 384.245361328125 1360.3607177734375 392.2438659667969 762.2279052734375 398.2536926269531 46093.3828125 399.2563171386719 3604.65234375 401.2532043457031 1403.9063720703125 408.2735595703125 5284.3056640625 409.2779235839844 597.18408203125 410.2536315917969 8662.35546875 411.2573547363281 827.7546997070312 414.2476501464844 5707.126953125 416.2636413574219 20204.140625 417.26898193359375 1911.6649169921875 428.26458740234375 3300.125244140625 432.2592468261719 951.4484252929688 444.2966613769531 4372.70361328125 445.3016662597656 548.5568237304688 446.27484130859375 24455.9453125 447.2774353027344 2343.79345703125 457.28973388671875 6282.02294921875 458.293701171875 556.7783813476562 464.2986755371094 3495.7470703125 465.3042907714844 530.810791015625 468.2950134277344 981.5200805664062 482.3107604980469 4471.3095703125 483.3131408691406 914.2607421875 486.30523681640625 5981.29150390625 487.30682373046875 534.5864868164062 497.3262023925781 575.5538940429688 500.3220520019531 7297.34423828125 501.3263854980469 1083.4423828125 504.316650390625 14707.6171875 505.3193664550781 1623.0653076171875 515.3321533203125 1552.86865234375 522.3323364257812 252112.578125 523.3355712890625 28031.16015625 537.3527221679688 1705.686279296875 540.353271484375 126603.2734375 541.3562622070312 14686.0400390625 555.36376953125 46927.40234375 556.366455078125 7992.9375 557.37744140625 586.5281982421875 558.3635864257812 374619.21875 559.3667602539062 45964.3046875 573.3741455078125 56037.11328125 574.3765869140625 7410.23779296875 585.3750610351562 6298.70263671875 586.3756713867188 958.8351440429688 591.38427734375 3876.11279296875 602.3904418945312 524.2957153320312 603.3851928710938 109490.53125 604.387939453125 12864.58984375 640.4071044921875 536.1983642578125 643.414306640625 2699.631103515625 644.4199829101562 847.0678100585938 658.4142456054688 2104.021240234375 661.427001953125 123203.0546875 662.4297485351562 17544.091796875 677.420166015625 3901.222412109375 678.4254150390625 561.8409423828125 679.4405517578125 4608590.0 680.2927856445312 632.002197265625 680.3336181640625 922.0064697265625 680.4407348632812 819320.1875 681.4257202148438 2817.447998046875 681.5997924804688 497.2385559082031 681.7318725585938 523.685546875 684.4326782226562 494.6296691894531 698.4467163085938 20383.494140625 699.4501953125 2773.643798828125 713.458740234375 1807.75390625 716.4577026367188 67752.203125 717.4606323242188 11989.7451171875 729.4531860351562 2353.372314453125 731.4686889648438 6923.7333984375 732.4722900390625 952.0038452148438 761.4774780273438 5420.119140625 762.4822998046875 557.9464111328125 805.5037841796875 3091.773193359375 819.519775390625 7251.41015625 820.5244140625 964.9688110351562 837.5321655273438 1661757.625 838.535400390625 276057.65625 839.5176391601562 463.9754333496094 END IONS BEGIN IONS TITLE=CCMSLIB00005723261 PEPMASS=837.534584 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=40.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_C3_Roxithromycin.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Roxithromycin_40eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed 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]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)\C(=N/OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O INCHI=InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1 INCHIAUX=RXZBMPWDPOLZGW-XMRMVWPWSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723261 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723261 SCANS=226024 53.03879928588867 1769.364501953125 55.0179557800293 1406.89501953125 55.041717529296875 559.2232666015625 55.054359436035156 40806.9296875 56.050846099853516 2525.78369140625 57.033790588378906 4613.21630859375 57.05758285522461 8189.64306640625 57.06934356689453 4366.55859375 58.06521224975586 16813.51953125 59.04938507080078 54176.7421875 60.05249786376953 601.5568237304688 61.02815628051758 2290.888916015625 65.03865814208984 970.8228149414062 67.05429077148438 2197.61083984375 68.04969787597656 1335.958740234375 69.0336685180664 2130.87548828125 69.06993865966797 12228.27734375 70.06541442871094 5863.2197265625 71.04920959472656 6556.7421875 71.07259368896484 5687.82275390625 71.0850601196289 9243.341796875 72.04424285888672 1209.233154296875 72.08078002929688 322759.96875 73.052001953125 3892.142822265625 73.06454467773438 10235.1982421875 73.08348846435547 4650.84326171875 74.06100463867188 1330.8291015625 75.04405212402344 742.21923828125 77.05994415283203 3732.074462890625 79.05435180664062 2613.668701171875 81.069580078125 15034.6162109375 82.0654296875 1430.70751953125 83.0491943359375 1682418.75 84.05268096923828 24673.21484375 84.08070373535156 16571.96484375 85.02808380126953 8697.541015625 85.0646743774414 5438.224609375 85.08658599853516 912.8877563476562 86.06040954589844 3050.101806640625 86.09606170654297 3656.297607421875 87.04393768310547 81691.515625 87.07968139648438 3440.84912109375 88.0470199584961 1577.551025390625 88.07569122314453 52735.6953125 89.05958557128906 17754.22265625 93.06968688964844 798.3914794921875 95.04889678955078 8054.13134765625 95.08487701416016 1068.09765625 96.08091735839844 2623.775146484375 97.06446075439453 10073.8017578125 97.10113525390625 1920.5670166015625 98.0602798461914 3317.141845703125 98.09623718261719 440791.46875 99.08024597167969 31187.28125 99.10142517089844 18774.806640625 100.07553100585938 55400.140625 100.1121826171875 2425.84375 101.05911254882812 535.4015502929688 101.08269500732422 3351.614501953125 102.09187316894531 1050.677734375 107.0854263305664 1085.6943359375 109.06465148925781 11479.08203125 109.10086059570312 6990.47314453125 110.09580993652344 1568.6033935546875 111.04449462890625 551.3985595703125 111.08147430419922 739.4576416015625 112.07535552978516 2597.1669921875 112.11132049560547 1521.8602294921875 113.0593490600586 234812.4375 114.06320190429688 5014.00439453125 114.09107971191406 55070.92578125 115.0753402709961 122177.6953125 116.07020568847656 632506.9375 116.10682678222656 2069518.25 116.55984497070312 537.9274291992188 117.07359313964844 13678.4365234375 117.11026763916016 41986.80078125 118.08609008789062 676.2462158203125 119.08454132080078 707.8027954101562 121.10079193115234 3600.72802734375 123.08000183105469 22276.02734375 123.11297607421875 736.8982543945312 124.07781219482422 1275.939697265625 124.11153411865234 6444.619140625 125.05924224853516 1017.404052734375 125.0960922241211 15877.275390625 126.09854888916016 1232.4329833984375 127.07516479492188 128902.6796875 128.0782012939453 5140.54296875 128.1063995361328 7734.73681640625 136.11122131347656 917.1119995117188 137.0954132080078 3749.800537109375 137.13348388671875 554.3876342773438 138.092041015625 1639.614990234375 139.1100616455078 656.12255859375 140.1062469482422 10820.7958984375 142.08558654785156 1265.1590576171875 142.12240600585938 46728.875 143.07012939453125 4408.1064453125 143.10597229003906 4104.14599609375 143.12332153320312 1917.997314453125 145.08616638183594 582.6099853515625 147.1162567138672 2337.721435546875 149.09605407714844 1236.125244140625 149.1321563720703 2321.121826171875 151.07525634765625 2472.93701171875 151.11119079589844 1010.9302978515625 152.1067657470703 1160.2430419921875 153.0905303955078 4385.9599609375 154.12269592285156 3562.898193359375 155.10684204101562 4190.82373046875 156.10162353515625 3804.73388671875 158.0550079345703 561.2926025390625 158.11898803710938 4984058.0 158.5235137939453 772.6109008789062 158.56492614746094 669.287353515625 158.6194305419922 688.887451171875 158.67083740234375 808.741943359375 158.73873901367188 581.0303344726562 159.1205596923828 197320.640625 160.13291931152344 9260.62890625 161.13697814941406 535.81494140625 164.106689453125 1583.5155029296875 164.14199829101562 653.5872802734375 165.09095764160156 1976.8193359375 165.12730407714844 2260.037353515625 167.1426544189453 1101.681640625 168.10194396972656 1651.012451171875 170.11712646484375 2830.811279296875 171.10179138183594 905.2811279296875 174.11187744140625 1257.900390625 174.12591552734375 1343.7296142578125 175.1114959716797 1668.9466552734375 176.1278076171875 39378.984375 177.1287384033203 4061.807861328125 178.1253662109375 901.1988525390625 179.1068878173828 747.6455078125 179.14395141601562 578.5791015625 180.13768005371094 6221.76220703125 183.10169982910156 6226.6806640625 183.1369171142578 689.3985595703125 184.1327362060547 797.400146484375 186.11212158203125 926.45361328125 187.09640502929688 2214.795166015625 192.12049865722656 702.2482299804688 192.13775634765625 4825.04638671875 193.1220703125 17157.109375 194.11985778808594 642.888916015625 194.15281677246094 670.2350463867188 195.13766479492188 2874.2353515625 196.1328887939453 2173.93896484375 199.144775390625 501.0003662109375 201.1121063232422 727.1341552734375 202.12123107910156 692.3273315429688 203.10691833496094 937.8807373046875 203.1299285888672 523.546875 204.15875244140625 3140.37548828125 208.1322021484375 1520.886474609375 210.14877319335938 4447.73681640625 211.13243103027344 8132.28515625 212.16502380371094 554.857666015625 213.14834594726562 954.7832641601562 213.16368103027344 721.3281860351562 220.13278198242188 5654.5673828125 221.11680603027344 17862.09375 222.11981201171875 744.6390380859375 222.14784240722656 723.8052978515625 223.13226318359375 775.3744506835938 227.1263885498047 508.59429931640625 227.1783905029297 526.074462890625 228.15953063964844 1000.9605102539062 233.15322875976562 24120.7265625 234.15797424316406 1002.122802734375 234.18231201171875 536.082275390625 236.16322326660156 1066.6005859375 238.14315795898438 2821.254150390625 238.17955017089844 3364.416259765625 239.12747192382812 15685.0400390625 240.13243103027344 1042.1373291015625 241.14186096191406 563.5011596679688 246.17025756835938 20681.89453125 247.17080688476562 644.9324951171875 248.16444396972656 682.3729248046875 250.1796417236328 1707.2978515625 251.16354370117188 1420.5535888671875 252.16209411621094 609.3554077148438 254.17372131347656 1051.632080078125 256.1544189453125 1096.3173828125 260.16339111328125 882.0006713867188 260.1994934082031 1997.0006103515625 264.1592712402344 2439.247802734375 264.177490234375 1764.0435791015625 264.2021179199219 699.8536376953125 266.17474365234375 1530.2325439453125 268.1919250488281 765.4959716796875 269.1754150390625 1013.4512939453125 271.1670227050781 570.8995361328125 272.18585205078125 1799.10888671875 274.2000732421875 504.6820068359375 278.17584228515625 733.6282348632812 278.2110290527344 8240.7802734375 279.1780090332031 496.2274475097656 279.2142639160156 692.3309326171875 282.16937255859375 7981.37548828125 284.18505859375 2938.739501953125 286.1793212890625 895.595947265625 286.2007141113281 3799.724365234375 289.17901611328125 5635.271484375 294.16949462890625 497.7860412597656 296.2220153808594 3975.642822265625 297.2229309082031 702.954833984375 300.1795654296875 1347.54296875 304.1892395019531 2492.9228515625 306.2051696777344 634.1456298828125 307.18975830078125 3800.802490234375 308.22052001953125 605.0978393554688 309.218994140625 612.9898681640625 312.2161560058594 699.8380737304688 314.2323303222656 1102.2310791015625 316.2196044921875 1158.4149169921875 318.24169921875 1048.625732421875 322.20098876953125 1862.0533447265625 325.2008972167969 4786.43408203125 326.2091369628906 773.1171875 334.2347717285156 729.3427124023438 336.21588134765625 601.0712890625 336.25347900390625 3672.298828125 340.2112121582031 1023.2777099609375 342.2270812988281 7338.64892578125 344.2218322753906 4606.14404296875 345.2230224609375 581.723388671875 347.22003173828125 1647.8851318359375 352.2115783691406 687.682861328125 352.2467346191406 537.626953125 354.26336669921875 1377.1351318359375 357.2380676269531 1128.0660400390625 358.2220764160156 1616.7789306640625 360.2378234863281 832.816650390625 360.2728271484375 571.2496948242188 362.2325439453125 14644.4931640625 363.236328125 1437.7890625 364.2476806640625 610.35693359375 365.2318115234375 3453.710205078125 380.2428283691406 50405.6328125 381.24627685546875 4586.326171875 382.25775146484375 1080.21826171875 383.2427978515625 5032.8740234375 392.2434387207031 1794.023193359375 398.2535400390625 83379.2890625 399.25628662109375 5948.462890625 400.2674560546875 607.6219482421875 401.2519836425781 540.17626953125 408.2737731933594 10597.396484375 409.2765197753906 734.0739135742188 410.25341796875 25521.970703125 411.2576599121094 1113.69140625 413.2646179199219 1321.794921875 414.24835205078125 9221.298828125 416.2633972167969 25948.857421875 417.2681579589844 1750.2598876953125 426.2484436035156 868.860595703125 428.26385498046875 10393.84765625 429.2666320800781 784.3609619140625 431.27490234375 2981.78564453125 432.2581787109375 627.7598266601562 444.29473876953125 4674.31787109375 446.2746276855469 38684.4765625 447.27728271484375 2996.459716796875 457.2914733886719 1758.052001953125 464.2999267578125 5661.08544921875 465.3018798828125 636.5319213867188 468.2959899902344 1299.7252197265625 471.30322265625 516.1414184570312 482.3114318847656 2469.006103515625 486.30645751953125 6227.63623046875 487.3072204589844 1024.5201416015625 497.3204345703125 1321.9302978515625 500.3223571777344 1829.3424072265625 504.31695556640625 6594.72216796875 505.3211975097656 726.290283203125 515.33203125 2300.84814453125 522.3349609375 40297.31640625 523.3386840820312 3741.705810546875 537.3511962890625 1972.794677734375 538.3450927734375 621.8574829101562 540.3524169921875 19214.2109375 541.3552856445312 1651.4539794921875 555.363037109375 31538.970703125 556.3667602539062 3763.570068359375 558.36328125 23339.15234375 559.3641357421875 2658.58203125 573.3740844726562 12650.171875 574.3740234375 1546.0018310546875 585.3739624023438 6976.5693359375 586.3758544921875 519.0594482421875 603.3853759765625 31373.1640625 604.3895263671875 4504.072265625 643.414794921875 1996.244140625 661.4263305664062 33384.37890625 662.4296264648438 4042.323486328125 677.4203491210938 563.6312255859375 679.4376220703125 245504.28125 680.4403686523438 29482.70703125 819.5176391601562 604.4898071289062 837.5308227539062 7771.56298828125 838.5361328125 1345.4796142578125 END IONS BEGIN IONS TITLE=CCMSLIB00005723262 PEPMASS=837.534584 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=50.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_C3_Roxithromycin.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Roxithromycin_50eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed 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]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)\C(=N/OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O INCHI=InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1 INCHIAUX=RXZBMPWDPOLZGW-XMRMVWPWSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723262 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723262 SCANS=226356 53.038543701171875 1562.6419677734375 55.01787567138672 2036.5430908203125 55.04231262207031 843.4688110351562 55.05447006225586 69257.2578125 56.05028533935547 3158.927490234375 57.033809661865234 7465.50634765625 57.05757522583008 11227.9072265625 57.06926345825195 6155.158203125 58.02919006347656 1055.012451171875 58.065364837646484 23922.9453125 59.04951477050781 93538.109375 60.053016662597656 1203.589599609375 61.028682708740234 3287.00146484375 65.03831481933594 1047.2259521484375 67.05431365966797 3694.554931640625 68.04937744140625 2855.640625 69.03329467773438 5589.8603515625 69.07012939453125 17270.0546875 70.06519317626953 13818.314453125 71.01276397705078 543.59521484375 71.04933166503906 7452.11669921875 71.0730209350586 7958.3681640625 71.08524322509766 11155.2861328125 72.04547882080078 1264.2222900390625 72.08070373535156 549801.0625 73.05194091796875 6469.2275390625 73.06438446044922 10758.2998046875 73.0842056274414 7241.72998046875 74.06078338623047 3140.131591796875 75.044189453125 651.8048706054688 77.03909301757812 389.84259033203125 77.05957794189453 1646.5263671875 79.05371856689453 3077.828125 81.06977844238281 24934.59765625 82.07152557373047 1327.1484375 83.04927825927734 2057182.5 83.41020202636719 487.76556396484375 84.0526123046875 28606.5390625 84.08073425292969 25663.234375 85.02835083007812 13902.6650390625 85.06473541259766 9835.1513671875 86.060791015625 3342.3994140625 86.09638977050781 5405.177734375 87.04417419433594 153658.65625 88.0473403930664 3380.285400390625 88.07586669921875 87995.5078125 89.05976867675781 19732.08984375 93.06932067871094 1052.543701171875 95.0490951538086 15629.0048828125 95.08551025390625 2117.284912109375 96.05281066894531 510.00262451171875 96.0809555053711 3316.0029296875 97.06451416015625 11971.3447265625 97.10088348388672 2078.981689453125 98.06008911132812 5773.57666015625 98.09619140625 707005.75 99.0802230834961 30040.421875 99.10247802734375 27839.61328125 99.14315032958984 555.819580078125 100.07569122314453 81520.9765625 100.10958862304688 4151.7587890625 101.0597915649414 1381.35986328125 101.08297729492188 5864.35986328125 102.09063720703125 2079.888916015625 103.07518768310547 551.1732177734375 105.06986236572266 434.1951904296875 107.08541870117188 3153.23876953125 108.08335876464844 768.0047607421875 109.06468200683594 15171.9677734375 109.10095977783203 12519.662109375 110.0641860961914 587.28564453125 110.09667205810547 2290.843994140625 111.043701171875 1148.9864501953125 111.08038330078125 1206.6202392578125 111.11573028564453 383.59375 112.0751724243164 1336.613037109375 112.11195373535156 2090.2626953125 113.05938720703125 287897.28125 114.06285858154297 5157.57177734375 114.09111785888672 81610.421875 115.0751724243164 75622.7734375 116.0702896118164 993643.4375 116.10677337646484 1774543.875 116.44285583496094 855.9112548828125 116.47480773925781 646.1397094726562 116.49745178222656 504.9267272949219 116.6069564819336 450.59661865234375 117.07372283935547 20659.39453125 117.11019897460938 32346.228515625 119.08544921875 1670.70703125 121.1009750366211 5847.9609375 122.09654998779297 1057.560546875 123.0802993774414 22096.1015625 123.11531829833984 984.8126831054688 124.0785140991211 1937.1563720703125 124.112060546875 7688.93896484375 125.05903625488281 2541.69091796875 125.09606170654297 17518.4921875 126.09622192382812 1020.4089965820312 127.07514953613281 92034.5859375 127.10934448242188 4815.42041015625 128.0781707763672 2846.61279296875 128.10641479492188 13563.6611328125 132.0660400390625 548.04541015625 133.10089111328125 972.7659301757812 135.08010864257812 611.5642700195312 135.1160888671875 944.0886840820312 136.07554626464844 1074.126220703125 136.11074829101562 1226.585693359375 137.05958557128906 594.3048095703125 137.09588623046875 7810.93603515625 137.1319122314453 854.8737182617188 138.0908660888672 3261.076171875 138.1260528564453 390.45330810546875 139.11105346679688 1933.81591796875 140.1063995361328 17539.916015625 141.0543670654297 993.8164672851562 141.09152221679688 852.6322631835938 142.08575439453125 939.8572998046875 142.1224822998047 30407.478515625 143.07052612304688 2044.2294921875 143.1060333251953 4526.63427734375 143.12396240234375 2417.351806640625 144.1031951904297 395.0939025878906 145.08563232421875 435.57647705078125 147.11663818359375 2685.327392578125 149.0962677001953 1041.48095703125 149.13211059570312 3604.023681640625 150.0904998779297 970.9602661132812 150.1285858154297 423.89947509765625 151.0750732421875 4735.09912109375 151.11061096191406 952.1510620117188 152.1071319580078 2677.442138671875 153.0904998779297 4213.33203125 154.12203979492188 4920.73974609375 155.10629272460938 5206.14013671875 156.10272216796875 2262.009521484375 157.10073852539062 575.5956420898438 158.1182403564453 3830626.25 158.60675048828125 412.0238342285156 158.6729736328125 479.38671875 158.72714233398438 505.279052734375 158.7693634033203 395.2602844238281 159.120849609375 97840.875 160.13314819335938 3649.35205078125 161.1328582763672 583.404541015625 164.10708618164062 4192.44091796875 164.1422576904297 682.00537109375 165.0906219482422 3877.55615234375 165.12728881835938 4130.10498046875 166.158935546875 487.9659729003906 167.10606384277344 414.4720458984375 167.14247131347656 674.8050537109375 168.10202026367188 585.1488037109375 169.087158203125 409.80426025390625 170.1171875 2628.30224609375 171.10086059570312 1220.36083984375 174.12513732910156 2467.056396484375 175.11204528808594 2860.29541015625 176.1278839111328 23186.3515625 177.1286163330078 3937.103759765625 178.12295532226562 1497.8834228515625 179.1067352294922 420.1314392089844 179.1430206298828 563.140625 180.1376190185547 4615.3974609375 181.0859832763672 387.4414367675781 182.11767578125 970.03662109375 182.15357971191406 625.7396240234375 183.10116577148438 4789.11572265625 186.1126708984375 586.36279296875 187.09671020507812 982.2094116210938 188.12899780273438 567.2833862304688 192.13800048828125 8163.05078125 193.1218719482422 22610.470703125 194.12538146972656 1406.9864501953125 194.15269470214844 864.7241821289062 195.13819885253906 4118.623046875 196.1329345703125 1836.245849609375 198.1483154296875 1126.6700439453125 199.1508026123047 501.0443420410156 202.1228790283203 434.0163269042969 203.1059112548828 2011.7371826171875 204.1368408203125 987.0313110351562 204.15872192382812 1689.7913818359375 205.15994262695312 605.0720825195312 205.17295837402344 429.7616271972656 208.1344451904297 1995.119384765625 210.1487579345703 6049.45361328125 211.13262939453125 6834.5234375 212.13653564453125 387.5958251953125 212.16343688964844 1227.6563720703125 214.1438446044922 810.8573608398438 218.15248107910156 1004.4340209960938 220.13253784179688 5214.64013671875 220.16439819335938 742.95556640625 221.11680603027344 15939.0341796875 222.12208557128906 645.3353881835938 222.18495178222656 703.3242797851562 223.13214111328125 503.6000061035156 228.15814208984375 781.1395874023438 231.1401824951172 429.01318359375 232.16867065429688 799.1541748046875 233.15301513671875 12188.4384765625 234.15499877929688 1031.6507568359375 236.16259765625 606.5870361328125 238.14382934570312 981.6173095703125 238.1797637939453 1778.003662109375 239.1273651123047 6106.50634765625 246.1691131591797 5700.693359375 247.17088317871094 450.7626647949219 248.16354370117188 1390.8104248046875 250.17724609375 688.0221557617188 251.16468811035156 1626.4906005859375 256.1532287597656 775.9365234375 260.2015380859375 2193.41357421875 264.1614074707031 1493.6778564453125 266.1734619140625 1188.833984375 268.191162109375 919.1470947265625 271.1676330566406 465.9482727050781 272.1856994628906 2196.56396484375 276.158203125 502.9090881347656 276.1948547363281 431.6644592285156 278.1750793457031 769.1322021484375 278.2112121582031 7201.3779296875 279.17877197265625 428.3492126464844 279.2120666503906 453.4913635253906 282.1706237792969 2403.63427734375 284.1853332519531 2111.693115234375 286.201171875 1982.78173828125 289.1787414550781 3181.29638671875 290.1826171875 584.6980590820312 296.1842346191406 680.6588134765625 296.22137451171875 3517.00048828125 300.1792297363281 403.0476989746094 302.1951599121094 402.88037109375 304.19000244140625 2780.089111328125 306.2055358886719 1205.99169921875 307.1897277832031 1321.6162109375 308.22125244140625 756.67529296875 314.23309326171875 458.2232360839844 316.2266540527344 1274.4327392578125 318.24169921875 995.8816528320312 322.200439453125 1340.069091796875 324.2171936035156 678.8819580078125 325.20001220703125 687.0462646484375 326.2123718261719 921.0753173828125 334.2338562011719 526.7578735351562 336.2531433105469 2246.220703125 340.2112121582031 524.3230590820312 342.2279357910156 2341.0166015625 343.22955322265625 391.3791809082031 344.2216491699219 4425.15087890625 347.2207946777344 619.7857055664062 354.2264099121094 388.0489196777344 354.2635192871094 716.165283203125 358.2210998535156 573.578857421875 362.2322082519531 6892.39013671875 363.2384033203125 484.43670654296875 364.2500305175781 434.2177734375 365.2331848144531 1416.2230224609375 369.27392578125 623.4419555664062 372.23773193359375 768.4578857421875 374.2286071777344 544.2671508789062 380.24298095703125 25429.04296875 381.2470397949219 2379.748291015625 383.2440490722656 719.16015625 392.2422790527344 1268.0205078125 398.2535400390625 31778.33203125 399.2578125 3194.0068359375 408.2398376464844 651.1505126953125 408.2735595703125 2598.0322265625 410.25341796875 13917.193359375 411.2591552734375 1480.4173583984375 413.2622375488281 1017.705810546875 414.246826171875 1196.2056884765625 416.2637939453125 4748.0615234375 426.252685546875 587.5125732421875 428.2633056640625 3527.425537109375 429.2641906738281 417.7678527832031 431.2744140625 5286.62109375 432.2771301269531 510.6982421875 446.2742004394531 9752.595703125 447.2786865234375 1152.0909423828125 464.30126953125 1002.7138671875 486.3063049316406 3188.881591796875 497.31976318359375 966.0205688476562 504.31646728515625 1243.3623046875 515.3338623046875 1045.199951171875 522.3388671875 1571.05419921875 537.3535766601562 545.3028564453125 540.3529663085938 1595.7322998046875 541.3583984375 428.1602478027344 555.3629150390625 4686.42724609375 556.36279296875 586.5101928710938 557.3761596679688 460.2222595214844 558.3627319335938 2433.060546875 573.3716430664062 1418.2847900390625 585.374755859375 1426.74658203125 589.3673095703125 427.18560791015625 603.3845825195312 3279.111328125 661.4267578125 3105.896728515625 662.4282836914062 867.5128173828125 679.4368896484375 27344.837890625 680.4400024414062 2265.146484375 837.532958984375 444.3133850097656 END IONS BEGIN IONS TITLE=CCMSLIB00005723263 PEPMASS=297.196939 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=20.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_C5_Palonosetron-hydrochlorider2.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Palonosetron_20eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=O=C1N([C@@H]2CN3CCC2CC3)C[C@H]4CCCc5c4c1ccc5 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=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723263 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723263 SCANS=182207 53.03910446166992 2766.614013671875 54.034053802490234 3991.685546875 55.054443359375 32990.6015625 56.04987335205078 63819.37109375 65.03884887695312 2155.970703125 66.04607391357422 660.393798828125 67.05402374267578 12768.84765625 68.0496597290039 42077.859375 69.0572509765625 13978.1328125 69.06929779052734 12487.640625 70.06877899169922 1163.90283203125 77.03864288330078 6465.73779296875 79.0542221069336 14665.8642578125 80.0498046875 3892.542724609375 81.05668640136719 2034.944580078125 81.06996154785156 85523.8984375 82.06507110595703 198530.78125 83.04869079589844 583.1910400390625 83.06881713867188 4223.44482421875 83.08563995361328 4763.619140625 84.08100128173828 1520.7098388671875 91.05390930175781 8203.2666015625 93.06965637207031 23496.1953125 94.06721496582031 2923.285888671875 95.07355499267578 10514.1689453125 96.0801010131836 1304.1224365234375 108.08045959472656 13018.1455078125 110.09635162353516 2021548.375 111.09961700439453 65454.203125 112.0749740600586 773.3400268554688 112.11186981201172 48368.85546875 113.11520385742188 1414.46533203125 115.05370330810547 2077.776123046875 116.049560546875 804.5300903320312 117.06900787353516 1877.8519287109375 126.09075927734375 11025.580078125 127.0926513671875 710.3560180664062 128.0618133544922 1441.134765625 128.10633850097656 1274.8421630859375 130.07870483398438 721.7825927734375 142.06419372558594 1184.2662353515625 143.08514404296875 2750.10546875 145.10107421875 10648.55859375 153.0685272216797 780.575439453125 155.07424926757812 761.2374877929688 159.08006286621094 824.7063598632812 168.08070373535156 752.7265625 170.09613037109375 14849.9150390625 171.08004760742188 1480.44921875 171.09706115722656 598.722900390625 172.11184692382812 32071.1328125 173.11587524414062 1552.82177734375 184.1111602783203 1828.1636962890625 185.0819549560547 967.4534912109375 186.09117126464844 6542.6298828125 186.12574768066406 3205.02880859375 188.10684204101562 219806.359375 189.11009216308594 13434.4609375 198.0921173095703 621.896240234375 198.12632751464844 917.1284790039062 200.1067352294922 61689.4765625 201.11012268066406 4159.7607421875 202.1223907470703 4940.63671875 214.12135314941406 3465.134033203125 216.1376953125 930.3626708984375 222.12802124023438 761.4767456054688 224.14349365234375 4117.70849609375 236.14352416992188 1029.7205810546875 238.15805053710938 836.5693969726562 240.1739501953125 961.6034545898438 242.15374755859375 5896.82763671875 250.15719604492188 2718.128173828125 252.17417907714844 8775.0966796875 253.17645263671875 811.001708984375 254.15353393554688 5796.111328125 266.1526184082031 990.7262573242188 268.16925048828125 42604.359375 269.1727600097656 4504.19091796875 269.20074462890625 11263.5751953125 270.20416259765625 752.1539916992188 279.1849365234375 4260.7373046875 280.1695251464844 6462.32080078125 281.1733703613281 809.4091186523438 295.1789855957031 1074.7451171875 297.0603332519531 993.514404296875 297.20025634765625 5805216.0 297.7557678222656 1214.280517578125 297.7817077636719 1579.5081787109375 297.8116760253906 1051.913330078125 297.8479309082031 860.334716796875 297.8926696777344 867.9273071289062 298.1993103027344 1168110.25 END IONS BEGIN IONS TITLE=CCMSLIB00005723264 PEPMASS=297.196939 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=40.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_C5_Palonosetron-hydrochlorider2.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Palonosetron_40eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=O=C1N([C@@H]2CN3CCC2CC3)C[C@H]4CCCc5c4c1ccc5 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=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723264 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723264 SCANS=182539 51.023399353027344 4226.27587890625 53.03898239135742 76197.25 54.034263610839844 135358.265625 55.01828384399414 805.875 55.037567138671875 2133.031005859375 55.05434036254883 966673.75 55.27475357055664 512.0618896484375 56.049678802490234 771891.75 57.053199768066406 7809.21728515625 57.06984329223633 4493.45654296875 58.02864456176758 1197.9727783203125 58.06510543823242 1792.59716796875 60.04483413696289 645.9949951171875 65.0386962890625 38672.46875 66.04651641845703 9279.396484375 67.04167175292969 36959.98828125 67.0545425415039 156709.34375 68.04944610595703 645912.0 69.05722045898438 244497.609375 69.06787872314453 105276.0390625 70.06502532958984 12770.22265625 72.04405975341797 415.68145751953125 77.03877258300781 120866.5703125 78.04266357421875 3286.247314453125 79.0541763305664 554005.6875 80.0501937866211 86984.5390625 81.03269958496094 596.074462890625 81.05689239501953 71000.3828125 81.0699234008789 1638115.25 81.43707275390625 510.2789001464844 82.06529235839844 2157826.0 82.40887451171875 359.7775573730469 82.73616790771484 466.5785827636719 83.04894256591797 1337.9190673828125 83.0687026977539 40853.640625 83.08533477783203 32407.833984375 83.12753295898438 586.1468505859375 84.08090209960938 21045.1484375 85.08428192138672 822.5706787109375 89.03948211669922 403.2743225097656 91.05438232421875 157015.546875 92.05708312988281 7545.85693359375 93.05696868896484 9169.25 93.06958770751953 301669.5625 94.06556701660156 60752.35546875 95.07276916503906 264591.28125 96.07854461669922 8491.2177734375 98.09597778320312 1758.8800048828125 99.08003997802734 673.6888427734375 103.05413818359375 3031.01025390625 105.06965637207031 10707.22265625 106.06953430175781 776.3602905273438 107.07244873046875 777.4393920898438 108.08070373535156 193960.265625 109.06413269042969 970.7063598632812 109.08514404296875 6507.09765625 110.09673309326172 3391403.75 110.4324951171875 492.19232177734375 110.5516128540039 525.7041625976562 110.5853042602539 449.7845458984375 110.66197967529297 432.50982666015625 110.74107360839844 401.5223693847656 110.81668090820312 367.5315246582031 111.09973907470703 106547.921875 112.07532501220703 6918.9638671875 112.11166381835938 42772.1640625 113.11503601074219 1780.0916748046875 115.0538101196289 11618.15625 116.05166625976562 4091.31884765625 117.06975555419922 64308.58203125 118.0728530883789 2703.22412109375 126.09122467041016 10846.755859375 127.05415344238281 4579.05078125 127.09529876708984 507.8345642089844 128.06167602539062 28923.83203125 128.1065216064453 2761.478271484375 129.06951904296875 15470.3330078125 129.10894775390625 425.12353515625 130.07647705078125 12615.46875 131.08526611328125 10226.4462890625 140.048828125 3198.106689453125 141.0699920654297 7740.7265625 142.06512451171875 63501.3359375 143.04849243164062 424.75750732421875 143.08534240722656 89230.5625 144.08287048339844 10417.6201171875 145.1009979248047 333137.65625 146.10446166992188 16037.22265625 151.05392456054688 535.6994018554688 152.06173706054688 2226.728271484375 153.0693817138672 23382.56640625 154.07334899902344 6140.67041015625 155.08433532714844 30215.375 156.0837860107422 3889.06298828125 157.0643310546875 1549.822509765625 157.090576171875 3683.993896484375 158.07171630859375 4116.13916015625 159.08030700683594 29251.55859375 160.08470153808594 1372.4329833984375 160.11146545410156 856.26171875 161.0980224609375 465.4471435546875 165.0699005126953 1057.1029052734375 166.0780487060547 746.3206787109375 167.08200073242188 2177.378662109375 168.0803680419922 18839.0390625 168.1288299560547 342.6538391113281 169.06455993652344 1450.1517333984375 169.09353637695312 5061.09912109375 170.09609985351562 226745.90625 171.08041381835938 32094.228515625 171.0998077392578 18017.310546875 172.07943725585938 6428.921875 172.1119384765625 84176.6328125 173.0960693359375 2227.19580078125 173.1151123046875 5055.65625 174.1276397705078 792.8912963867188 178.07766723632812 1118.0205078125 179.0854034423828 1437.2015380859375 180.08261108398438 1471.6944580078125 181.09776306152344 2259.2421875 182.09622192382812 5427.01171875 183.1039581298828 1869.0205078125 184.0747833251953 3960.794189453125 184.11163330078125 13876.7294921875 185.08303833007812 39016.390625 185.1190948486328 15398.611328125 186.09072875976562 21156.138671875 186.12698364257812 10799.130859375 187.09542846679688 1405.78173828125 187.13021850585938 860.230712890625 188.10670471191406 616631.875 189.11016845703125 33955.765625 191.08627319335938 710.2255859375 192.0930633544922 1843.5089111328125 193.10179138183594 1376.4571533203125 194.10520935058594 838.1602783203125 195.1035614013672 734.1538696289062 195.1146240234375 777.75341796875 196.11224365234375 3567.860595703125 198.09152221679688 3315.427001953125 198.12721252441406 16491.7265625 199.12979125976562 2095.60888671875 200.07040405273438 466.45489501953125 200.10696411132812 208507.984375 201.1101531982422 12301.9013671875 202.1223907470703 2467.532958984375 205.10096740722656 897.7864990234375 206.10731506347656 492.7258605957031 207.1155548095703 2349.9453125 208.11126708984375 2637.38818359375 209.11993408203125 6942.5263671875 210.12759399414062 18603.486328125 211.13485717773438 8385.3603515625 212.10662841796875 1985.68896484375 212.1431121826172 1362.0556640625 213.1156005859375 736.4712524414062 214.1226348876953 8677.7060546875 216.13804626464844 3768.770751953125 220.11181640625 1630.9339599609375 221.12071228027344 863.5580444335938 222.1278076171875 14228.65234375 223.1348419189453 9456.806640625 224.10726928710938 574.1441650390625 224.1431121826172 52039.24609375 225.14651489257812 4663.37109375 226.1234893798828 711.792236328125 226.15841674804688 469.911865234375 229.1354217529297 516.2534790039062 234.1262664794922 1937.8690185546875 235.13473510742188 4664.8564453125 236.1429443359375 7695.13525390625 237.15054321289062 5986.6279296875 238.15838623046875 12665.7421875 239.1624298095703 1248.204833984375 240.13868713378906 1601.744384765625 240.174072265625 11033.06640625 241.17701721191406 570.0142822265625 242.1539764404297 7447.05419921875 248.142333984375 1141.934326171875 250.15892028808594 27734.833984375 251.16152954101562 3161.4189453125 252.13844299316406 1778.3062744140625 252.1741485595703 67869.1953125 253.17745971679688 5058.025390625 254.15408325195312 3296.814208984375 255.157470703125 582.903076171875 262.1586608886719 1126.51611328125 263.15924072265625 616.5299682617188 264.1597900390625 469.0640563964844 267.1861267089844 546.8598022460938 268.1695556640625 19363.951171875 268.25836181640625 395.65667724609375 269.1692810058594 2988.859130859375 269.2005310058594 16071.048828125 270.17041015625 493.21185302734375 270.2043762207031 1957.9173583984375 279.1853942871094 9880.39453125 280.1705627441406 2442.176025390625 282.1717529296875 508.27740478515625 295.17987060546875 2798.56396484375 297.1959533691406 471800.1875 298.19921875 44864.75 END IONS BEGIN IONS TITLE=CCMSLIB00005723265 PEPMASS=297.196939 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=50.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_C5_Palonosetron-hydrochlorider2.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Palonosetron_50eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=O=C1N([C@@H]2CN3CCC2CC3)C[C@H]4CCCc5c4c1ccc5 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=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723265 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723265 SCANS=182871 50.01441955566406 272.62713623046875 51.02326965332031 12719.3857421875 52.03045654296875 633.6205444335938 53.03894805908203 234471.828125 54.0340461730957 357796.90625 55.03861618041992 3805.75439453125 55.05446243286133 1634390.0 55.36262893676758 375.1040954589844 55.37430953979492 225.6632843017578 55.44774627685547 251.6089324951172 55.63137435913086 220.0244598388672 56.04973602294922 800495.9375 57.05311965942383 11030.8876953125 57.069854736328125 4356.7734375 58.0289306640625 2785.6015625 58.06537628173828 2623.849609375 58.2821044921875 312.0082702636719 63.022884368896484 622.6787719726562 65.0389404296875 91086.0703125 66.04633331298828 25934.51171875 66.07953643798828 465.0982666015625 67.04176330566406 86745.5703125 67.05408477783203 214212.921875 68.04946899414062 738400.8125 68.29219818115234 448.0631408691406 68.3132095336914 227.0384979248047 68.345703125 248.36863708496094 69.05802917480469 233954.21875 69.31849670410156 244.53750610351562 70.06490325927734 16844.080078125 71.83194732666016 258.7864074707031 74.61618041992188 232.1852569580078 76.09505462646484 298.7514953613281 77.03865051269531 317621.15625 78.04391479492188 8965.8798828125 78.11581420898438 241.04734802246094 78.35533142089844 254.75514221191406 79.05418395996094 1013671.5 79.36116790771484 306.7077331542969 79.39199829101562 235.84420776367188 79.40355682373047 300.6337585449219 79.44417572021484 236.60000610351562 79.50003051757812 392.719970703125 80.04959869384766 210384.5625 80.99491882324219 232.04058837890625 81.056884765625 129377.6171875 81.06990814208984 1503343.0 81.37793731689453 384.3094482421875 81.42759704589844 302.38592529296875 81.67335510253906 218.935546875 81.95234680175781 285.09344482421875 82.01754760742188 347.5714416503906 82.03543090820312 278.69537353515625 82.06529235839844 2215545.75 82.33424377441406 294.71539306640625 82.3497085571289 313.8193664550781 82.37907409667969 235.7777557373047 82.41028594970703 237.3599090576172 82.43798828125 286.8751220703125 82.47368621826172 228.43321228027344 82.54419708251953 242.88929748535156 83.04910278320312 838.2406005859375 83.06867218017578 44827.2890625 83.08492279052734 17910.41796875 84.04402160644531 279.7738037109375 84.08099365234375 25373.203125 85.08393096923828 782.747802734375 87.0438003540039 522.6407470703125 89.03855895996094 3064.558349609375 91.05401611328125 317399.0625 92.0569839477539 11638.333984375 92.09488677978516 275.94232177734375 93.05659484863281 24054.673828125 93.06954193115234 236064.328125 93.35025787353516 227.2972869873047 94.06538391113281 149298.84375 94.67451477050781 249.95668029785156 94.78750610351562 248.00527954101562 95.07273864746094 425627.375 95.37261199951172 241.05841064453125 95.4411392211914 244.5 96.07723236083984 12172.4130859375 97.06362915039062 283.2969665527344 97.08619689941406 1297.056884765625 98.05853271484375 228.20237731933594 98.09608459472656 633.6627807617188 99.07881164550781 400.8003234863281 101.1179428100586 252.2607879638672 102.04781341552734 608.9113159179688 103.05406188964844 13322.2822265625 104.05711364746094 738.4515991210938 105.06977844238281 51292.27734375 106.06887817382812 3284.9375 107.07270812988281 711.2096557617188 108.06413269042969 442.7664489746094 108.08072662353516 186474.59375 109.08595275878906 5920.07177734375 110.09619140625 1257509.625 110.5142822265625 313.99761962890625 110.55108642578125 222.2232208251953 110.58883666992188 300.9757385253906 111.09968566894531 35841.03125 112.07542419433594 3414.388916015625 112.11161804199219 13936.59375 113.03812408447266 276.1260986328125 113.1149673461914 327.2234191894531 114.04582977294922 406.8653869628906 115.03231811523438 459.400390625 115.05391693115234 70236.4609375 116.05005645751953 20630.40234375 116.05976867675781 15776.58203125 116.93478393554688 251.6580047607422 117.06954193115234 201854.890625 118.07270050048828 7210.8701171875 126.04569244384766 260.5858154296875 126.09132385253906 3205.1904296875 127.05403137207031 19887.5703125 128.06198120117188 112193.609375 129.06927490234375 46421.41796875 130.07705688476562 60851.47265625 131.04904174804688 2163.637451171875 131.0851287841797 29807.4375 132.0518341064453 225.06509399414062 132.08871459960938 1987.0775146484375 140.04913330078125 8957.837890625 141.06961059570312 23836.697265625 141.115966796875 287.1525573730469 142.0652618408203 92578.8984375 143.0854949951172 143544.71875 144.08265686035156 23719.810546875 144.97613525390625 257.6983642578125 145.06521606445312 951.8034057617188 145.10104370117188 364831.875 146.1044158935547 18307.365234375 146.15359497070312 307.29193115234375 150.0436248779297 233.00682067871094 151.054443359375 1960.2784423828125 152.0618133544922 9370.0771484375 153.06939697265625 52676.47265625 154.06948852539062 14759.5361328125 154.25685119628906 239.1200714111328 155.04776000976562 2094.642822265625 155.0828857421875 44171.67578125 156.0557098388672 1133.0850830078125 156.0846405029297 7599.35546875 157.06504821777344 3942.777587890625 157.08848571777344 14069.3984375 158.07057189941406 7141.60498046875 159.0802001953125 44467.08203125 160.0837860107422 1557.473876953125 160.10989379882812 470.0638122558594 165.03924560546875 259.4425964355469 165.06971740722656 3451.025390625 166.07383728027344 1393.8917236328125 167.07598876953125 6038.34716796875 168.08058166503906 31407.87109375 168.15667724609375 318.01251220703125 168.2763671875 234.6063232421875 169.06411743164062 1396.4677734375 169.08836364746094 13783.611328125 170.06089782714844 1616.4224853515625 170.09620666503906 270823.03125 171.08041381835938 37320.54296875 171.0998992919922 23623.267578125 172.0771026611328 13901.2041015625 172.1118927001953 61377.375 173.0785369873047 869.4661865234375 173.09469604492188 984.322265625 173.11495971679688 2895.616943359375 178.0768585205078 1285.2633056640625 179.08506774902344 2460.3466796875 180.0807342529297 3389.3740234375 181.09165954589844 4877.0849609375 182.0960235595703 7184.29150390625 183.104248046875 3332.601806640625 184.07566833496094 19187.966796875 184.11187744140625 19418.234375 184.1748504638672 262.0618896484375 185.08322143554688 46392.84765625 185.11886596679688 12420.314453125 186.09056091308594 10271.37890625 186.12692260742188 6894.09619140625 187.09547424316406 1184.5228271484375 187.1265411376953 540.7066040039062 188.10687255859375 197023.046875 189.10971069335938 14047.5400390625 191.0850830078125 1270.0010986328125 192.0928497314453 2508.54052734375 193.10092163085938 2189.51708984375 194.0987091064453 3900.376220703125 195.10394287109375 2919.2119140625 196.11212158203125 3968.79736328125 197.11825561523438 786.2451171875 198.09153747558594 784.4124755859375 198.12693786621094 9611.2978515625 199.09921264648438 524.805419921875 199.12913513183594 751.3834838867188 200.10678100585938 62166.39453125 201.11073303222656 5680.58251953125 202.12130737304688 356.135009765625 203.08480834960938 578.3162231445312 203.12571716308594 349.7979736328125 205.10154724121094 1041.378662109375 206.0942840576172 1595.2454833984375 206.1071014404297 1473.1417236328125 207.10873413085938 4966.3466796875 208.11170959472656 6852.8876953125 209.11973571777344 21481.080078125 209.18508911132812 270.3104248046875 210.08934020996094 252.6329803466797 210.12741088867188 24461.478515625 211.1337432861328 5562.3818359375 212.10667419433594 3087.516357421875 212.1399383544922 933.4824829101562 213.14329528808594 297.7749938964844 214.12179565429688 4275.95849609375 215.1250457763672 303.1074523925781 216.13809204101562 906.2604370117188 219.10618591308594 289.6705627441406 220.11163330078125 2747.650146484375 221.11968994140625 3086.068603515625 222.1271209716797 19562.41796875 222.18467712402344 258.2978515625 223.1349334716797 9612.033203125 224.1047821044922 288.4295349121094 224.14300537109375 39769.0703125 225.11314392089844 259.3582458496094 225.14674377441406 3156.456298828125 226.12188720703125 404.0523376464844 226.16065979003906 238.88970947265625 234.12782287597656 2804.022216796875 235.135009765625 4626.251953125 236.14308166503906 9906.482421875 237.15045166015625 3648.674560546875 238.12310791015625 565.34326171875 238.158447265625 11644.6396484375 239.16033935546875 501.25518798828125 240.13751220703125 290.05218505859375 240.1743927001953 5696.88037109375 241.1756591796875 387.4079895019531 242.15512084960938 898.5843505859375 246.12767028808594 640.361083984375 248.14608764648438 532.0508422851562 250.1590118408203 14126.79296875 251.15953063964844 1160.0001220703125 252.14259338378906 230.0410919189453 252.17433166503906 21769.447265625 252.23800659179688 244.6666717529297 253.1770782470703 2107.103271484375 254.15345764160156 540.5651245117188 256.1670227050781 310.385498046875 268.1687927246094 1649.7330322265625 269.1676025390625 631.4802856445312 269.2015075683594 3052.738525390625 279.1861267089844 1593.890869140625 280.1667175292969 325.34844970703125 280.1869812011719 258.5859375 295.1801452636719 1109.32568359375 297.1376953125 344.0178527832031 297.1963806152344 27827.06640625 298.1989440917969 2429.464599609375 493.3876037597656 233.05215454101562 1113.6990966796875 259.2661437988281 1242.076171875 245.3360595703125 END IONS BEGIN IONS TITLE=CCMSLIB00005723266 PEPMASS=1055.681335 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=20.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_C6_Fusidine.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Fusidine_20eV [2M+Na]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=[C@]12([C@@]3([C@H](/C(=C(\CCC=C(C)C)/C(=O)O)/[C@H](C3)OC(=O)C)C[C@H]([C@H]1[C@@]1([C@@H](CC2)[C@@H]([C@@H](CC1)O)C)C)O)C)C INCHI=InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1 INCHIAUX=IECPWNUMDGFDKC-MZJAQBGESA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723266 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723266 SCANS=310989 88.3548812866211 121.75849151611328 93.06773376464844 172.08445739746094 137.9368438720703 277.0045471191406 149.88352966308594 195.5879669189453 164.116455078125 98.72340393066406 178.26971435546875 160.10592651367188 181.68385314941406 236.0006561279297 219.00848388671875 162.00096130371094 411.2510681152344 117.65789794921875 424.6432800292969 156.3240966796875 435.3271789550781 333.6128234863281 452.6148376464844 107.16363525390625 478.3160705566406 122.23634338378906 479.018310546875 121.37985229492188 479.1822814941406 327.0050964355469 479.31341552734375 299356.28125 479.9964599609375 142.4375 480.0656433105469 234.8001251220703 480.12896728515625 192.9716339111328 480.2091064453125 156.68405151367188 480.3163146972656 26721.67578125 480.4046325683594 375.4214782714844 480.519775390625 161.9357452392578 480.7402648925781 284.06781005859375 481.1295166015625 122.125 481.2210693359375 156.4878387451172 481.26788330078125 109.64807891845703 481.3162841796875 253.5237274169922 505.59490966796875 202.55418395996094 537.5433959960938 149.46897888183594 537.5722045898438 202.47471618652344 537.9828491210938 136.65650939941406 539.2163696289062 916.5333251953125 539.334228515625 1001985.3125 540.055419921875 388.6813659667969 540.1099243164062 227.3101806640625 540.2031860351562 158.58047485351562 540.253662109375 471.1947326660156 540.3375854492188 100202.8671875 541.0424194335938 104.73912811279297 541.0960693359375 190.3797149658203 541.32666015625 140.04029846191406 541.4384765625 124.97260284423828 541.5319213867188 133.26368713378906 541.8219604492188 99.95270538330078 542.0955810546875 110.18382263183594 542.3593139648438 120.23629760742188 542.742431640625 202.34963989257812 545.477294921875 116.20899963378906 545.7703247070312 113.260498046875 572.2725219726562 128.3975372314453 642.2290649414062 103.37999725341797 766.991943359375 129.0833282470703 814.07568359375 185.1777801513672 859.718505859375 177.22752380371094 935.6373901367188 880.173583984375 964.6469116210938 127.35804748535156 995.657958984375 10934.7373046875 995.9161987304688 140.28558349609375 996.0001831054688 110.08333587646484 996.5589599609375 184.23634338378906 996.6613159179688 1943.169189453125 998.3429565429688 136.75555419921875 1053.7708740234375 136.40966796875 1055.4088134765625 264.1385498046875 1055.5142822265625 315.07379150390625 1055.68017578125 189600.984375 1056.6832275390625 42112.44921875 1057.173828125 166.36000061035156 1057.2503662109375 96.69642639160156 1057.3453369140625 145.31256103515625 1057.4627685546875 114.93439483642578 1057.5555419921875 151.14315795898438 1057.6177978515625 124.229248046875 1057.70263671875 135.1659393310547 1057.7901611328125 150.87799072265625 1057.8299560546875 141.7816925048828 1057.884521484375 124.36595916748047 1058.3079833984375 113.5834732055664 1058.3768310546875 101.0887680053711 1058.644287109375 226.5064697265625 1060.360107421875 113.10887145996094 1064.1158447265625 106.32005310058594 END IONS BEGIN IONS TITLE=CCMSLIB00005723267 PEPMASS=1055.681335 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=40.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_C6_Fusidine.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Fusidine_40eV [2M+Na]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=[C@]12([C@@]3([C@H](/C(=C(\CCC=C(C)C)/C(=O)O)/[C@H](C3)OC(=O)C)C[C@H]([C@H]1[C@@]1([C@@H](CC2)[C@@H]([C@@H](CC1)O)C)C)O)C)C INCHI=InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1 INCHIAUX=IECPWNUMDGFDKC-MZJAQBGESA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723267 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723267 SCANS=311321 69.06914520263672 222.17919921875 197.73500061035156 143.1875 411.2488708496094 655.1857299804688 435.322998046875 2567.170654296875 451.3179016113281 398.6355895996094 461.3046569824219 1169.1488037109375 478.2357482910156 148.02127075195312 479.07769775390625 381.5638122558594 479.11773681640625 220.78125 479.1656188964844 291.1664733886719 479.3133850097656 1319666.5 480.0422058105469 324.9023742675781 480.0946044921875 238.35595703125 480.3168029785156 109080.6171875 480.9676513671875 191.563232421875 481.11517333984375 176.02325439453125 481.19873046875 200.53750610351562 481.31378173828125 165.30882263183594 481.3408203125 146.05882263183594 481.5579833984375 155.001220703125 481.6509704589844 181.03125 483.335693359375 175.97164916992188 538.3441772460938 242.39715576171875 539.2213745117188 330.0404052734375 539.2665405273438 471.48992919921875 539.3344116210938 230665.953125 540.0279541015625 163.3691864013672 540.337646484375 23645.51171875 540.4476318359375 277.4796447753906 540.7338256835938 143.40499877929688 540.8687133789062 137.06314086914062 541.131103515625 163.08642578125 824.2920532226562 193.0157012939453 1192.841064453125 161.04705810546875 1986.7166748046875 215.4473419189453 END IONS BEGIN IONS TITLE=CCMSLIB00005723268 PEPMASS=1055.681335 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=50.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_C6_Fusidine.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Fusidine_50eV [2M+Na]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=[C@]12([C@@]3([C@H](/C(=C(\CCC=C(C)C)/C(=O)O)/[C@H](C3)OC(=O)C)C[C@H]([C@H]1[C@@]1([C@@H](CC2)[C@@H]([C@@H](CC1)O)C)C)O)C)C INCHI=InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1 INCHIAUX=IECPWNUMDGFDKC-MZJAQBGESA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723268 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723268 SCANS=311653 64.19764709472656 247.08116149902344 126.2945327758789 197.00576782226562 129.700439453125 137.015869140625 201.0421142578125 125.37293243408203 254.1244354248047 213.4152374267578 281.2240905761719 138.84011840820312 285.1444396972656 204.19113159179688 343.047607421875 169.44004821777344 395.33111572265625 176.85467529296875 395.6842956542969 146.0008544921875 411.24969482421875 890.3616943359375 435.32244873046875 1899.255126953125 436.3236999511719 306.44903564453125 451.2796936035156 172.48529052734375 451.3180847167969 1110.3404541015625 452.3199768066406 392.1488037109375 461.3034362792969 2295.52392578125 462.3069152832031 212.1281280517578 477.8404846191406 176.6953582763672 478.0543212890625 127.7422866821289 479.0533752441406 190.57444763183594 479.2270202636719 1852.6806640625 479.313232421875 1225803.75 480.0023498535156 352.8333435058594 480.0557861328125 206.33009338378906 480.1017761230469 261.07501220703125 480.1474609375 203.0 480.1858825683594 378.957763671875 480.2179260253906 208.05010986328125 480.3168029785156 96986.6953125 480.96417236328125 177.55230712890625 481.03253173828125 228.776611328125 481.0767517089844 182.68771362304688 481.1894226074219 136.7562713623047 481.24383544921875 180.71678161621094 481.3412170410156 146.8761444091797 481.4193115234375 326.5289611816406 539.3341674804688 36598.55859375 540.3363647460938 3098.343505859375 1849.40478515625 255.15504455566406 END IONS BEGIN IONS TITLE=CCMSLIB00005723269 PEPMASS=479.122791 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=20.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_C7_Chlortetracycline-hydrochloride.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Chlortetracycline_20eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=CN([C@H]1[C@@H]2C[C@H]3C(C(c4c([C@]3(O)C)c(Cl)ccc4O)=O)=C([C@@]2(C(C(C(N)=O)=C1O)=O)O)O)C INCHI=InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/t7-,8-,15-,21-,22-/m0/s1 INCHIAUX=CYDMQBQPVICBEU-XRNKAMNCSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723269 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723269 SCANS=152315 72.04373931884766 256.87933349609375 86.06024169921875 222.83767700195312 98.05830383300781 240.79595947265625 99.06340026855469 258.6565246582031 126.05374908447266 197.6543426513672 139.02236938476562 78.81451416015625 144.05709838867188 44.474056243896484 147.0426025390625 60.83695602416992 154.01791381835938 127.07972717285156 154.04876708984375 1202.75048828125 154.10302734375 14.199999809265137 154.33352661132812 78.56320190429688 154.552490234375 22.28928565979004 165.01576232910156 121.35531616210938 181.0028839111328 191.16233825683594 182.07846069335938 112.60775756835938 190.08412170410156 81.8977279663086 196.0576629638672 217.625 196.99867248535156 112.20411682128906 201.1696319580078 18.066177368164062 205.039306640625 228.0752716064453 206.07382202148438 82.81451416015625 207.02020263671875 179.34375 208.03016662597656 113.56829833984375 208.05953979492188 256.0643615722656 209.0343475341797 26.0 209.10226440429688 123.17174530029297 214.9186553955078 206.11538696289062 217.26959228515625 16.440217971801758 219.0914306640625 205.63636779785156 219.30059814453125 21.625 221.03656005859375 389.442138671875 230.07537841796875 76.11556243896484 233.0350799560547 204.0441131591797 233.8419647216797 18.480262756347656 245.03453063964844 28.893518447875977 247.05384826660156 24.125 247.08389282226562 54.905487060546875 260.02227783203125 104.73529052734375 263.0213623046875 125.39705657958984 264.0873107910156 44.002777099609375 273.02777099609375 75.14881134033203 275.048095703125 216.760986328125 276.050048828125 146.125 276.0830078125 14.125 277.0625305175781 118.81500244140625 279.0177917480469 92.4602279663086 285.02886962890625 264.4881896972656 287.0477600097656 114.03947448730469 292.039794921875 162.58139038085938 301.0223388671875 33.78716278076172 301.14801025390625 13.208333015441895 303.04022216796875 627.25830078125 306.02899169921875 158.324462890625 320.1014404296875 113.65650939941406 325.5654296875 38.150001525878906 327.0403137207031 150.49234008789062 327.9554748535156 52.224998474121094 328.04388427734375 66.61228942871094 330.0793151855469 55.36526107788086 331.0335693359375 318.6913757324219 331.0796203613281 49.55555725097656 332.0379638671875 49.32500076293945 337.02996826171875 24.015625 345.0461730957031 396.2032470703125 347.0653076171875 277.40191650390625 348.09954833984375 229.00209045410156 349.1861572265625 13.008333206176758 349.873291015625 87.75513458251953 353.0166015625 273.913818359375 366.1103210449219 164.010986328125 368.0062561035156 62.90322494506836 370.0851745605469 42.625 371.0330810546875 486.86920166015625 371.70166015625 38.57143020629883 372.1015625 83.91737365722656 373.0462341308594 304.5660400390625 373.36590576171875 37.2976188659668 373.4129943847656 156.0115966796875 374.05145263671875 116.47169494628906 381.0151672363281 118.234619140625 383.0293273925781 210.0295867919922 388.0689392089844 54.969261169433594 390.0489196777344 24.899999618530273 390.10858154296875 126.46915435791016 398.074462890625 149.28929138183594 399.0267639160156 196.21365356445312 400.027099609375 25.200000762939453 400.0986328125 369.8677673339844 401.03662109375 47.01041793823242 404.4100036621094 134.62820434570312 409.2215576171875 72.53289794921875 416.0896301269531 853.4180297851562 417.0354309082031 177.38548278808594 417.0894775390625 46.474056243896484 417.30169677734375 37.40833282470703 417.85943603515625 18.163461685180664 418.063232421875 98.0 418.10369873046875 760.281005859375 419.10626220703125 83.40335083007812 426.07318115234375 176.60977172851562 434.10040283203125 67.8514175415039 435.103759765625 132.77789306640625 436.1321105957031 33.69444274902344 442.5922546386719 55.42856979370117 443.6750183105469 22.0592098236084 444.08441162109375 11095.2236328125 444.1665954589844 89.53289794921875 444.2825927734375 19.225000381469727 444.4413146972656 41.02083206176758 444.4874572753906 32.84011459350586 444.61187744140625 23.004032135009766 444.84210205078125 27.163461685180664 444.93280029296875 26.720237731933594 444.9707336425781 26.08445930480957 445.013671875 18.5 445.0870666503906 1009.9248046875 457.4519348144531 19.899999618530273 459.56732177734375 60.6694450378418 459.9124450683594 16.008333206176758 460.3738098144531 17.20833396911621 460.7394104003906 18.024999618530273 461.1114501953125 148.625 461.1495666503906 32.150001525878906 461.2687683105469 43.19852828979492 461.41796875 14.135869979858398 461.46258544921875 24.30769157409668 461.6045227050781 42.04009246826172 461.98724365234375 152.28297424316406 462.01678466796875 177.4727325439453 462.0953369140625 131545.828125 462.7301940917969 20.285715103149414 462.8162536621094 119.12332153320312 462.8536376953125 90.27027130126953 462.90570068359375 102.48529052734375 462.9845275878906 92.49323272705078 463.0170593261719 160.5982208251953 463.0584716796875 167.1834716796875 463.0985107421875 13148.78515625 463.18731689453125 137.25 463.2118225097656 147.25726318359375 463.2457275390625 65.78620147705078 463.2770080566406 69.04058074951172 463.3218994140625 109.11842346191406 463.33905029296875 89.82691955566406 463.37542724609375 86.9000015258789 463.42681884765625 70.0026626586914 463.4658203125 60.404998779296875 463.5611877441406 43.29999923706055 463.5934143066406 27.5625 463.7111511230469 114.88246154785156 463.75836181640625 75.89473724365234 463.8244323730469 78.00833129882812 463.93499755859375 25.022727966308594 463.96795654296875 87.4000015258789 464.3384094238281 71.96450805664062 464.95172119140625 28.94230842590332 465.2435607910156 16.125 465.5494689941406 21.89285659790039 466.0780029296875 28.77822494506836 466.9075927734375 23.796052932739258 468.8174133300781 84.75438690185547 474.05694580078125 14.083333015441895 478.4749755859375 16.0 479.12158203125 11558.7802734375 479.2108154296875 133.17308044433594 479.42449951171875 34.47368240356445 479.46435546875 71.44117736816406 479.812744140625 20.004629135131836 479.87359619140625 21.160715103149414 480.12347412109375 1018.161376953125 480.2015380859375 20.532894134521484 481.4950866699219 22.26630401611328 481.7309875488281 17.14285659790039 482.3489990234375 28.003570556640625 488.0805969238281 56.9375 488.7038269042969 84.45681762695312 544.503662109375 15.796052932739258 590.69775390625 34.45000076293945 600.8345947265625 18.375 615.426025390625 21.487903594970703 860.318359375 28.58333396911621 896.0869140625 25.782407760620117 903.1790161132812 28.019229888916016 907.4740600585938 79.10041046142578 1037.1395263671875 20.782407760620117 1145.0408935546875 18.91847801208496 1241.6827392578125 121.17208099365234 1296.0535888671875 13.148809432983398 1378.0045166015625 13.090909004211426 1694.45654296875 13.125 END IONS BEGIN IONS TITLE=CCMSLIB00005723270 PEPMASS=479.122791 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=40.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_C7_Chlortetracycline-hydrochloride.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Chlortetracycline_40eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=CN([C@H]1[C@@H]2C[C@H]3C(C(c4c([C@]3(O)C)c(Cl)ccc4O)=O)=C([C@@]2(C(C(C(N)=O)=C1O)=O)O)O)C INCHI=InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/t7-,8-,15-,21-,22-/m0/s1 INCHIAUX=CYDMQBQPVICBEU-XRNKAMNCSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723270 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723270 SCANS=152647 55.01790237426758 119.9918212890625 58.06559753417969 2682.607421875 58.09630584716797 69.18382263183594 58.4951171875 26.102272033691406 61.42079544067383 48.14814758300781 63.97221374511719 20.25 65.65436553955078 49.907257080078125 66.59837341308594 43.75 68.04947662353516 193.41993713378906 68.9971694946289 33.88888931274414 71.03582763671875 153.2452850341797 71.05369567871094 16.674999237060547 72.044677734375 1887.1214599609375 72.07899475097656 35.125 74.06022644042969 259.125 78.52721405029297 14.008333206176758 81.03338623046875 329.2266540527344 81.06739044189453 10.666666984558105 82.06458282470703 366.78363037109375 83.07343292236328 196.81988525390625 84.04443359375 654.1203002929688 84.08023071289062 493.455810546875 84.43724822998047 31.012500762939453 84.88436126708984 23.69230842590332 85.04598999023438 164.77809143066406 85.16307830810547 17.005434036254883 86.05976867675781 1478.111328125 86.09544372558594 47.565216064453125 89.05927276611328 266.375 89.08590698242188 26.778846740722656 94.06500244140625 779.619140625 94.10309600830078 28.720237731933594 94.35517120361328 30.60357093811035 95.01250457763672 271.8411865234375 95.05812072753906 11.074999809265137 96.04405212402344 269.5117492675781 96.0798110961914 218.42857360839844 96.11979675292969 8.5625 97.02828979492188 189.65333557128906 97.05267333984375 65.06649017333984 97.08695983886719 127.39556884765625 98.05973815917969 4957.2314453125 98.10603332519531 74.11428833007812 98.17674255371094 22.44499969482422 98.40130615234375 34.048912048339844 98.48078155517578 5.0625 98.7431640625 26.455644607543945 100.0755386352539 766.7926025390625 100.12611389160156 6.625 100.19734191894531 24.08333396911621 102.04511260986328 163.55584716796875 105.03092193603516 75.5 109.02532958984375 166.68405151367188 109.05122375488281 249.81678771972656 109.08626556396484 115.08231353759766 110.09336853027344 117.00961303710938 110.1224594116211 10.125 111.00700378417969 107.06666564941406 111.04379272460938 154.03306579589844 111.06846618652344 135.0 112.07467651367188 159.66546630859375 113.0232162475586 231.05592346191406 114.05477142333984 368.4017639160156 119.04849243164062 138.57064819335938 122.0372314453125 129.11289978027344 122.06073760986328 105.36029052734375 123.00656127929688 263.6181335449219 123.04335021972656 1073.3802490234375 123.08851623535156 11.017857551574707 124.03982543945312 335.1180419921875 124.98622131347656 18.01785659790039 125.05701446533203 30.889286041259766 126.02444458007812 101.93431854248047 126.05408477783203 2470.27685546875 126.10384368896484 28.04166603088379 126.17926025390625 7.5 126.23194885253906 10.102272987365723 126.30711364746094 31.671297073364258 126.3411865234375 31.802778244018555 127.00161743164062 218.07237243652344 127.02516174316406 15.0054349899292 127.05694580078125 110.0 128.07061767578125 242.92034912109375 128.11968994140625 7.025000095367432 131.0692901611328 131.12820434570312 131.10015869140625 10.008333206176758 135.04177856445312 136.02247619628906 135.06715393066406 114.5374984741211 136.07601928710938 97.84210205078125 137.02206420898438 164.05723571777344 138.01702880859375 281.4063415527344 139.00074768066406 118.10016632080078 139.03839111328125 155.11764526367188 140.06817626953125 597.5787353515625 146.03570556640625 215.78675842285156 146.0585479736328 89.23999786376953 146.09793090820312 5.017857074737549 147.04498291015625 42.532894134521484 149.0198211669922 183.9339141845703 149.06027221679688 155.96078491210938 150.05470275878906 425.10125732421875 150.09120178222656 19.007352828979492 150.10890197753906 5.333333492279053 151.0009765625 28.893518447875977 151.0379180908203 86.98892211914062 152.03341674804688 624.4752197265625 152.0697021484375 129.9918212890625 153.01808166503906 282.0249938964844 153.0536346435547 15.041666984558105 153.0838165283203 8.166666984558105 153.14231872558594 20.77777862548828 153.4751434326172 22.003787994384766 154.01358032226562 147.0919189453125 154.0493621826172 5908.21728515625 154.09544372558594 54.06944274902344 154.14227294921875 51.22222137451172 154.18145751953125 8.68055534362793 154.31529235839844 42.556819915771484 154.43614196777344 19.035715103149414 154.45753479003906 22.0 154.74403381347656 78.89423370361328 154.9854278564453 39.79360580444336 155.0244903564453 178.5030517578125 155.3089141845703 18.604999542236328 156.83155822753906 21.0 157.0264434814453 57.404998779296875 158.07337951660156 41.13031768798828 158.85299682617188 24.008333206176758 162.05401611328125 134.07766723632812 162.99871826171875 13.875 163.03640747070312 8.035714149475098 164.07135009765625 278.4385986328125 165.0175018310547 784.94677734375 166.0484161376953 135.25262451171875 166.0832977294922 305.3884582519531 167.0304718017578 47.04521179199219 169.01223754882812 285.9448547363281 169.07093811035156 13.163461685180664 170.03564453125 49.65398406982422 170.3164825439453 18.034090042114258 172.1546630859375 16.625 173.0583953857422 49.44499969482422 174.06712341308594 153.37294006347656 174.116943359375 5.013888835906982 175.03831481933594 322.9285583496094 175.05824279785156 97.44642639160156 176.046630859375 59.034481048583984 176.0713348388672 91.63333129882812 177.0504608154297 112.8108139038086 178.04905700683594 92.02083587646484 179.0321807861328 359.1293029785156 179.10536193847656 9.102272987365723 180.0653076171875 64.22711181640625 181.00485229492188 5841.1748046875 181.06744384765625 269.01629638671875 181.10472106933594 9.0625 181.13522338867188 11.375 181.271728515625 12.556818008422852 181.4178009033203 20.52155113220215 181.70492553710938 164.58824157714844 182.00453186035156 58.78125 182.0439910888672 55.842105865478516 182.18096923828125 27.428571701049805 182.9820098876953 44.0 183.02024841308594 178.51571655273438 185.06153869628906 218.89414978027344 185.1182098388672 5.041666507720947 186.06846618652344 140.00103759765625 188.03912353515625 16.11111068725586 189.37010192871094 57.08333206176758 190.04933166503906 69.0131607055664 192.0292205810547 31.285715103149414 192.1035614013672 28.058822631835938 193.04043579101562 114.55160522460938 194.01380920410156 54.592594146728516 194.0819091796875 213.30697631835938 195.01918029785156 272.20062255859375 195.05062866210938 20.1488094329834 195.0804443359375 255.44642639160156 195.13308715820312 12.0054349899292 196.02349853515625 258.8106689453125 196.0601348876953 1535.09375 196.13084411621094 12.875 196.60049438476562 10.017857551574707 197.00015258789062 2343.3076171875 197.6151580810547 32.30769348144531 197.70266723632812 15.100000381469727 198.06573486328125 517.7172241210938 199.01400756835938 255.18797302246094 199.0672607421875 5.160714149475098 200.04579162597656 246.6673126220703 202.08665466308594 56.01315689086914 203.0323028564453 316.2397155761719 203.06942749023438 230.40652465820312 203.10992431640625 41.01250076293945 203.1333770751953 5.224999904632568 204.3148193359375 51.16345977783203 205.00344848632812 295.1270446777344 205.04063415527344 177.76148986816406 205.07302856445312 15.25 205.14984130859375 15.284090995788574 205.4806365966797 36.400001525878906 206.040283203125 22.5625 207.02047729492188 3360.117919921875 207.0855255126953 9.041666984558105 207.61325073242188 24.68145179748535 208.0272674560547 1149.583740234375 208.05882263183594 380.38507080078125 208.94102478027344 114.21302795410156 208.99722290039062 75.84091186523438 209.03619384765625 794.2357177734375 209.1020050048828 7.1022725105285645 209.15719604492188 15.322368621826172 210.06607055664062 189.002685546875 211.0726318359375 102.375 212.08352661132812 250.40109252929688 215.02737426757812 173.56394958496094 217.04164123535156 368.3428955078125 217.08090209960938 14.0625 217.57421875 9.5 218.0795440673828 152.22222900390625 219.02206420898438 179.85975646972656 219.0878448486328 1422.9805908203125 219.1466827392578 15.284090995788574 220.02967834472656 154.1224822998047 220.09487915039062 183.2245330810547 220.52256774902344 40.33333206176758 220.9976806640625 109.87934875488281 221.03578186035156 3415.69091796875 221.1046600341797 47.32143020629883 221.13059997558594 14.44444465637207 221.51463317871094 7.5625 221.6266326904297 37.100807189941406 222.04026794433594 61.07258224487305 222.4647674560547 7.011363506317139 223.05125427246094 450.5713806152344 224.02853393554688 25.36111068725586 224.08262634277344 101.15348052978516 224.26065063476562 10.47115421295166 225.02911376953125 295.89361572265625 225.08462524414062 189.09735107421875 225.15049743652344 7.0 226.0999755859375 9.125 228.05535888671875 169.41175842285156 229.0408935546875 818.7369995117188 230.0327606201172 18.066177368164062 231.02073669433594 357.1936340332031 231.0558319091797 621.337646484375 231.0820770263672 196.25807189941406 231.1138153076172 19.007352828979492 232.0234832763672 334.3926696777344 232.05088806152344 89.34722137451172 232.53125 71.17391204833984 232.999267578125 1121.9439697265625 233.03648376464844 1749.7286376953125 234.07217407226562 269.0190734863281 235.01577758789062 247.04066467285156 235.0745391845703 86.63362121582031 235.21307373046875 70.7815933227539 236.01773071289062 79.00119018554688 236.05612182617188 85.00833129882812 236.08094787597656 139.20416259765625 237.0621795654297 82.90042114257812 239.06993103027344 327.70562744140625 240.07310485839844 57.28947448730469 241.0408477783203 479.5877990722656 241.08114624023438 412.7471618652344 241.139404296875 11.041666984558105 243.021728515625 260.5794677734375 243.0558624267578 83.81481170654297 243.17657470703125 13.322368621826172 244.03053283691406 256.04541015625 245.0359344482422 718.6790161132812 245.0972137451172 13.360294342041016 245.14012145996094 33.26630401611328 246.03866577148438 25.68055534362793 246.07534790039062 400.6722717285156 247.01268005371094 147.27435302734375 247.05079650878906 1240.6212158203125 247.0808563232422 205.32618713378906 247.26571655273438 13.053571701049805 247.5497283935547 9.086538314819336 248.09075927734375 614.0003051757812 249.02955627441406 657.1498413085938 249.0663604736328 97.04960632324219 250.2884063720703 20.20833396911621 251.06971740722656 101.28028106689453 252.0743408203125 18.77777862548828 253.0384979248047 38.244998931884766 253.75088500976562 5.0625 254.05743408203125 41.375 255.05718994140625 186.59210205078125 256.9919128417969 71.04081726074219 257.03582763671875 1693.5848388671875 257.097412109375 24.0 257.5665283203125 14.008333206176758 258.0373229980469 170.50892639160156 259.015380859375 297.9454650878906 259.0522766113281 1470.02783203125 259.11126708984375 14.0 259.3741149902344 11.240385055541992 260.022216796875 515.171630859375 260.05426025390625 159.75 260.0805358886719 100.56097412109375 260.3592529296875 27.058822631835938 260.532958984375 21.487903594970703 261.0334167480469 520.9634399414062 261.1611022949219 29.761905670166016 261.6719970703125 14.020833015441895 262.05975341796875 61.00694274902344 263.0456848144531 426.5237731933594 263.0679626464844 272.4322814941406 263.1034851074219 20.284090042114258 264.0819091796875 555.4720458984375 264.1547546386719 19.066667556762695 265.0652770996094 9.083333015441895 267.0639343261719 46.875 268.0180969238281 10.066176414489746 268.0692443847656 17.0049991607666 269.035400390625 707.4556884765625 269.0758361816406 186.57876586914062 269.25311279296875 10.0 270.0044250488281 114.46283721923828 270.0396728515625 50.03628921508789 271.013427734375 373.1440124511719 271.0525817871094 473.94134521484375 271.0669250488281 339.5030517578125 272.0248718261719 119.69444274902344 272.5801696777344 41.53779220581055 273.0323791503906 1465.3619384765625 273.0621032714844 263.1699523925781 273.10723876953125 22.100807189941406 273.782958984375 53.349998474121094 274.0397644042969 144.86012268066406 274.0600280761719 344.64190673828125 274.09503173828125 229.0664825439453 274.158447265625 5.083333492279053 274.8036804199219 26.02083396911621 275.04669189453125 4302.10986328125 275.13739013671875 15.01388931274414 275.234619140625 24.013158798217773 275.2875061035156 17.111841201782227 276.017822265625 309.53466796875 276.0478210449219 320.02557373046875 276.07733154296875 73.80000305175781 276.10504150390625 18.657608032226562 277.0235900878906 60.61814880371094 277.0843200683594 46.025001525878906 277.35003662109375 8.5 278.0574645996094 165.29808044433594 278.094482421875 150.31153869628906 279.0447692871094 79.55709838867188 279.0625305175781 59.35174560546875 281.03326416015625 224.00833129882812 281.0659484863281 33.599998474121094 281.63055419921875 14.571428298950195 283.0160217285156 124.5143814086914 283.0511474609375 99.67781829833984 283.3006591796875 12.5 283.69091796875 38.349998474121094 283.7975158691406 25.012500762939453 284.0434875488281 56.6136360168457 285.0302429199219 2383.9599609375 285.0947570800781 17.125 285.6432189941406 26.016666412353516 285.7373352050781 22.96982765197754 286.0010070800781 557.596923828125 286.0617980957031 166.0244598388672 286.11920166015625 7.025000095367432 287.01025390625 101.43367004394531 287.0483093261719 721.0387573242188 287.08428955078125 102.56143951416016 287.1711120605469 14.009614944458008 288.01806640625 734.094482421875 288.0743408203125 271.65399169921875 288.1664733886719 7.1022725105285645 289.0693664550781 63.153480529785156 290.0933532714844 106.77631378173828 290.1309509277344 8.225000381469727 290.52325439453125 8.166666984558105 290.7343444824219 11.920454978942871 291.04425048828125 685.5482177734375 291.064208984375 445.55584716796875 291.1154479980469 20.005952835083008 292.0726623535156 114.2727279663086 292.11083984375 66.61228942871094 293.03338623046875 62.903690338134766 293.0651550292969 150.125 295.0162048339844 149.36099243164062 297.03070068359375 249.4611053466797 297.0513610839844 162.04017639160156 297.99993896484375 235.26463317871094 298.0581359863281 131.41976928710938 299.0101623535156 146.9762725830078 299.04864501953125 546.5408935546875 299.09185791015625 17.08333396911621 300.01861572265625 115.36742401123047 301.0248718261719 1150.7218017578125 301.0578918457031 161.0012664794922 301.10589599609375 10.007352828979492 301.3529968261719 10.125 301.38311767578125 30.173913955688477 301.99658203125 69.34451293945312 302.05322265625 109.24615478515625 302.09539794921875 61.10714340209961 303.0416564941406 5916.4521484375 303.09442138671875 271.4693908691406 303.3216552734375 28.28928565979004 303.3548583984375 60.89352035522461 303.5693359375 40.53065872192383 304.04364013671875 581.36767578125 304.11041259765625 304.85235595703125 304.1744384765625 25.008333206176758 304.34027099609375 11.800000190734863 304.9078369140625 13.142857551574707 305.07757568359375 79.02857208251953 306.06109619140625 81.01092529296875 306.0888977050781 65.57142639160156 307.0589904785156 39.11918640136719 308.0641174316406 175.30105590820312 309.0296630859375 202.97622680664062 309.06134033203125 272.619873046875 309.142578125 5.160714149475098 309.1793212890625 12.059210777282715 309.2870178222656 12.333333015441895 309.99957275390625 57.85969543457031 310.4567565917969 6.050000190734863 310.49346923828125 37.925926208496094 311.0507507324219 214.3552703857422 311.13006591796875 8.199999809265137 312.0162658691406 340.0840148925781 312.04974365234375 103.03359985351562 312.1108093261719 5.160714149475098 312.98260498046875 22.090909957885742 313.025390625 591.2081298828125 313.08099365234375 53.31529998779297 313.3143310546875 32.02083206176758 313.50634765625 31.77822494506836 314.0097961425781 178.05300903320312 315.06134033203125 615.8524780273438 315.0978698730469 248.8892059326172 316.10797119140625 112.02815246582031 317.01959228515625 182.0009307861328 317.0568542480469 221.00059509277344 318.0558166503906 180.7831268310547 318.099365234375 83.75757598876953 318.15185546875 15.066176414489746 318.22027587890625 13.5 319.01593017578125 290.8988952636719 319.12225341796875 11.800000190734863 320.0195007324219 87.67129516601562 320.0586242675781 84.7422866821289 320.10711669921875 283.46221923828125 321.0523376464844 756.4078369140625 321.11181640625 16.204545974731445 321.4399108886719 12.875 321.7729797363281 57.07258224487305 321.87274169921875 16.115739822387695 322.2715759277344 53.26740646362305 324.0143127441406 101.73026275634766 325.02532958984375 787.950439453125 325.09539794921875 24.0625 325.1893005371094 6.0625 325.6905212402344 75.0 327.0014343261719 60.00893020629883 327.0413513183594 1350.264892578125 327.1091613769531 13.0625 327.4297180175781 7.347222328186035 328.01251220703125 133.2083282470703 328.04449462890625 150.72000122070312 328.0701599121094 129.01492309570312 328.10760498046875 37.01250076293945 329.0230407714844 321.8406982421875 329.05615234375 313.0083312988281 329.12530517578125 11.446428298950195 330.060546875 83.05113983154297 330.0863952636719 203.38461303710938 330.18438720703125 23.008333206176758 330.3955078125 38.81686019897461 331.0361022949219 815.224365234375 331.1011047363281 24.28125 331.8164978027344 9.041666984558105 332.03546142578125 33.449073791503906 333.0321044921875 38.79166793823242 335.0547180175781 123.87842559814453 336.06072998046875 59.25 337.0278625488281 635.9854125976562 337.0746154785156 18.03125 337.9961853027344 258.57403564453125 339.00909423828125 12.041666984558105 339.5448913574219 20.111841201782227 340.0131530761719 462.4568176269531 340.0710144042969 93.05769348144531 341.0198059082031 32.842105865478516 341.0531311035156 87.8431396484375 342.0874328613281 136.95945739746094 343.0384826660156 896.5675659179688 343.1144714355469 9.333333015441895 343.8341369628906 13.44444465637207 343.8697814941406 6.0 344.1022033691406 149.75265502929688 345.0432434082031 265.5763244628906 346.03717041015625 58.25 346.8155212402344 66.39130401611328 347.0860290527344 100.68144989013672 348.09893798828125 2178.2666015625 348.1790771484375 22.240385055541992 348.3414611816406 32.782405853271484 348.4088439941406 14.889705657958984 348.59661865234375 26.455644607543945 348.63543701171875 12.675000190734863 349.1020812988281 371.09161376953125 349.6808776855469 20.32661247253418 352.0496520996094 59.556819915771484 352.0715637207031 55.400001525878906 353.01953125 786.4916381835938 353.0979309082031 15.571428298950195 354.0880126953125 192.49717712402344 355.0348205566406 1276.3743896484375 355.12249755859375 6.013888835906982 356.0018005371094 215.89285278320312 356.06719970703125 132.46897888183594 356.1056823730469 16.375 356.3800354003906 37.08088302612305 358.08258056640625 144.54046630859375 359.08819580078125 174.63307189941406 360.0796203613281 111.3985824584961 361.0683898925781 134.14682006835938 362.099365234375 26.01388931274414 363.0055236816406 72.31410217285156 364.0739440917969 260.375 364.1506652832031 9.0 365.01922607421875 12.0 366.10992431640625 1305.6685791015625 366.18115234375 25.019229888916016 367.0522155761719 47.280303955078125 367.11590576171875 182.2537384033203 368.0022888183594 149.00204467773438 370.0210876464844 84.01388549804688 370.08172607421875 925.8871459960938 370.1388244628906 21.560184478759766 370.5130615234375 12.009614944458008 370.97210693359375 21.778846740722656 371.0298767089844 1124.5635986328125 371.0965270996094 24.240385055541992 371.4854736328125 5.625 372.031982421875 55.04999923706055 372.09814453125 435.3613586425781 372.3336486816406 72.73558044433594 373.0459289550781 1182.6749267578125 373.12890625 10.446428298950195 373.4263000488281 20.066667556762695 374.0512390136719 61.07692337036133 374.0780029296875 133.0394744873047 374.1142883300781 86.18382263183594 376.0928039550781 176.92987060546875 380.2867126464844 8.5625 381.0154724121094 522.1694946289062 381.10845947265625 7.013888835906982 382.0144958496094 231.3338623046875 382.0849304199219 318.0148010253906 383.032470703125 703.7999877929688 383.6462707519531 47.69551467895508 384.00994873046875 158.25 386.0429992675781 109.14562225341797 387.0823059082031 75.92628479003906 388.02069091796875 84.0 388.09814453125 53.032142639160156 389.0437316894531 136.7779083251953 389.09747314453125 130.80645751953125 390.1037292480469 51.11206817626953 391.07275390625 22.1488094329834 394.10418701171875 187.09121704101562 398.0787353515625 1449.7052001953125 398.1925048828125 17.625 398.5075378417969 14.204545021057129 399.028076171875 574.2930297851562 399.08056640625 222.6851806640625 400.0272216796875 91.02127838134766 400.09173583984375 294.88970947265625 400.1799011230469 17.30769157409668 400.2481994628906 10.25 400.7288513183594 16.29166603088379 400.9449462890625 51.09423065185547 401.04071044921875 95.57857513427734 401.15301513671875 21.05555534362793 402.01666259765625 114.0267105102539 403.7374267578125 23.0 407.10870361328125 152.50283813476562 408.061767578125 73.68022918701172 411.0537109375 121.64473724365234 416.08978271484375 1578.396240234375 416.1696472167969 9.199999809265137 416.8705749511719 6.4464287757873535 417.03167724609375 369.8656005859375 417.09100341796875 54.686405181884766 417.14471435546875 55.469444274902344 418.03790283203125 62.59438705444336 418.1058654785156 631.8490600585938 418.189453125 11.0625 418.6932373046875 17.008333206176758 426.0727233886719 758.0270385742188 427.0718688964844 98.92639923095703 434.1015319824219 433.2449035644531 434.39849853515625 15.03125 440.9130859375 12.449999809265137 442.89288330078125 59.15592956542969 442.9513854980469 40.51041793823242 443.9342346191406 190.47756958007812 444.0845642089844 11579.765625 444.2337951660156 5.083333492279053 444.2894592285156 80.14881134033203 444.34100341796875 20.04166603088379 444.4435119628906 15.266304016113281 444.5033874511719 36.889286041259766 444.5459899902344 18.007352828979492 444.9483642578125 37.9262809753418 445.0873718261719 902.5934448242188 445.404296875 35.782405853271484 445.4801940917969 49.64015197753906 446.2681884765625 24.045454025268555 446.3850402832031 41.25 450.4920959472656 85.9189224243164 451.2629699707031 11.28125 462.0447998046875 42.05263137817383 462.0950622558594 5848.123046875 462.3076477050781 26.55769157409668 462.3475646972656 26.77777862548828 462.51507568359375 5.013888835906982 462.6047058105469 47.10381317138672 462.76226806640625 42.19047546386719 462.8810729980469 21.446428298950195 463.09796142578125 711.9428100585938 463.23468017578125 21.840909957885742 749.6370239257812 82.0 939.041015625 17.036291122436523 956.5921630859375 19.471153259277344 1094.7955322265625 41.215518951416016 1360.810791015625 9.199999809265137 1395.968505859375 33.79999923706055 1442.004638671875 11.28125 1533.98095703125 10.066176414489746 END IONS BEGIN IONS TITLE=CCMSLIB00005723271 PEPMASS=479.122791 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=50.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_C7_Chlortetracycline-hydrochloride.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Chlortetracycline_50eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=CN([C@H]1[C@@H]2C[C@H]3C(C(c4c([C@]3(O)C)c(Cl)ccc4O)=O)=C([C@@]2(C(C(C(N)=O)=C1O)=O)O)O)C INCHI=InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/t7-,8-,15-,21-,22-/m0/s1 INCHIAUX=CYDMQBQPVICBEU-XRNKAMNCSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723271 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723271 SCANS=152979 55.01791763305664 384.02386474609375 55.053890228271484 88.77841186523438 55.068153381347656 7.011363506317139 57.0562744140625 266.625 57.086360931396484 10.125 58.0653190612793 5176.83154296875 58.09526443481445 85.84500122070312 58.14562225341797 13.595588684082031 58.16103744506836 149.00833129882812 58.222450256347656 37.19047546386719 58.23146057128906 37.3967399597168 58.240867614746094 27.071428298950195 68.04926300048828 181.32154846191406 68.07146453857422 8.01388931274414 68.9974365234375 427.8928527832031 70.06573486328125 506.1306457519531 70.11197662353516 7.041666507720947 71.01152038574219 187.11280822753906 71.0368423461914 167.11671447753906 72.04434967041016 1431.0142822265625 72.08045196533203 323.3255310058594 74.06051635742188 543.1632690429688 77.03741455078125 144.45751953125 77.05686950683594 7.013888835906982 79.05399322509766 219.14285278320312 80.0474853515625 52.23546600341797 81.03363800048828 321.0817565917969 82.06493377685547 536.942626953125 83.010986328125 169.66409301757812 83.02957916259766 27.297618865966797 83.04833984375 125.35531616210938 84.04476928710938 1376.6689453125 84.0813980102539 460.13885498046875 84.11490631103516 8.160714149475098 85.08805847167969 117.39369201660156 86.06005096435547 1696.6944580078125 86.09486389160156 23.20833396911621 86.29165649414062 33.281978607177734 89.31918334960938 47.375 93.03309631347656 196.09091186523438 95.01275634765625 240.12960815429688 95.04796600341797 115.0 96.04255676269531 41.564815521240234 97.02735137939453 165.98077392578125 98.05986022949219 8042.8359375 98.81890869140625 13.050000190734863 99.06184387207031 114.00961303710938 100.075439453125 440.2598876953125 100.11395263671875 9.0 100.22169494628906 22.16554069519043 108.30125427246094 38.5 108.99382019042969 268.75 109.02600860595703 90.38021087646484 109.04653930664062 240.04762268066406 109.08741760253906 207.72256469726562 111.0060806274414 29.071428298950195 112.07454681396484 477.0467224121094 114.05551147460938 42.80356979370117 114.0906753540039 81.60391235351562 115.05278015136719 410.28570556640625 117.03191375732422 230.3829803466797 119.04891967773438 254.5986785888672 119.09469604492188 11.086538314819336 119.11228942871094 38.16071319580078 120.07936096191406 160.5209503173828 121.02783203125 404.1072082519531 121.06958770751953 12.086538314819336 122.03453063964844 59.36526107788086 122.37983703613281 7.1022725105285645 123.01070404052734 8.017857551574707 123.04286193847656 377.9512634277344 123.06451416015625 99.01136016845703 123.2957763671875 92.05487823486328 124.0386734008789 238.1866912841797 124.0784912109375 18.14285659790039 124.479736328125 63.59558868408203 125.02151489257812 286.0532531738281 125.41006469726562 38.09000015258789 126.05452728271484 1702.52880859375 126.10670471191406 16.024999618530273 126.23582458496094 12.059210777282715 126.26362609863281 43.35539245605469 126.99382781982422 87.00154113769531 127.0606918334961 70.9000015258789 128.06834411621094 185.01388549804688 128.0890350341797 22.674999237060547 128.6053009033203 11.0 130.07830810546875 189.08045959472656 132.08209228515625 203.04444885253906 133.02491760253906 43.681819915771484 134.03610229492188 239.55471801757812 134.05886840820312 142.00787353515625 137.02320861816406 964.453857421875 138.01707458496094 131.11148071289062 138.05401611328125 246.9346923828125 139.0017547607422 307.94000244140625 139.0614013671875 62.42856979370117 139.09861755371094 131.4381103515625 139.1319580078125 7.160714149475098 140.0686492919922 330.625 144.05673217773438 216.40478515625 144.07998657226562 90.3829345703125 144.11106872558594 10.166666984558105 148.0157012939453 132.01515197753906 148.0574951171875 73.14082336425781 148.086181640625 134.5377960205078 148.98683166503906 60.275001525878906 149.0231475830078 147.46969604492188 150.09149169921875 180.26596069335938 151.00186157226562 47.69230651855469 151.03794860839844 256.2456970214844 152.03384399414062 221.17913818359375 152.06822204589844 116.32156372070312 153.0130157470703 343.4340515136719 153.0733642578125 79.70394897460938 154.04920959472656 2324.52783203125 154.09954833984375 37.125 154.1685333251953 7.050000190734863 154.27145385742188 35.81666564941406 154.33712768554688 8.449999809265137 154.4014434814453 16.066177368164062 154.99928283691406 206.50619506835938 155.0536651611328 139.03857421875 155.55348205566406 16.875 158.0714111328125 165.1602783203125 159.0801239013672 127.00454711914062 160.05062866210938 180.35752868652344 160.09902954101562 10.0 163.0980682373047 71.98892211914062 164.06967163085938 155.93939208984375 164.9933319091797 46.4568977355957 165.0168914794922 521.0004272460938 165.05990600585938 6.083333492279053 165.3327178955078 31.907258987426758 165.3948211669922 29.004310607910156 166.0238037109375 142.3800048828125 166.04759216308594 38.34722137451172 166.08477783203125 63.59558868408203 167.03163146972656 283.6568298339844 167.05628967285156 159.75384521484375 167.0824432373047 153.28741455078125 168.05728149414062 191.90927124023438 168.107666015625 11.006579399108887 169.22940063476562 23.111841201782227 170.0779266357422 321.66070556640625 174.0669708251953 571.0172119140625 174.12579345703125 12.053571701049805 174.5869140625 39.25 175.03787231445312 216.90811157226562 175.14942932128906 8.166666984558105 176.0613250732422 120.70417022705078 177.05360412597656 286.48779296875 178.64105224609375 69.18672943115234 179.0266571044922 414.239990234375 179.0867462158203 5.025000095367432 180.03103637695312 131.31153869628906 180.064453125 450.04638671875 181.0052947998047 6532.77734375 181.0639190673828 322.5437316894531 181.1653289794922 12.024999618530273 181.17933654785156 13.04891300201416 181.25413513183594 34.215518951416016 181.38514709472656 26.54166603088379 181.4270782470703 11.408333778381348 181.5154571533203 27.04166603088379 181.6985321044922 18.285715103149414 181.72662353515625 9.240385055541992 182.0113983154297 361.2524108886719 182.07955932617188 113.0018081665039 182.09906005859375 91.53333282470703 182.38258361816406 19.02777862548828 183.02032470703125 752.5804443359375 183.0790557861328 163.6943359375 184.08413696289062 23.349138259887695 186.0238800048828 211.4545440673828 186.06411743164062 196.40863037109375 186.11692810058594 8.5625 188.0835723876953 108.5619125366211 189.07461547851562 74.56395721435547 190.02268981933594 159.40740966796875 190.08230590820312 227.55682373046875 190.3461456298828 30.52941131591797 191.0235595703125 75.91725158691406 191.24301147460938 42.026161193847656 192.03244018554688 159.35824584960938 192.1001434326172 290.7978820800781 193.0054931640625 477.625 193.0395050048828 63.08695602416992 194.0139923095703 19.657608032226562 194.0441131591797 274.5806579589844 194.072265625 485.9171447753906 194.13247680664062 7.160714149475098 194.49183654785156 9.5625 195.02066040039062 181.77777099609375 195.0806121826172 573.9358520507812 195.14149475097656 6.125 195.4824981689453 11.007352828979492 196.06051635742188 76.14244079589844 196.0874786376953 406.0155944824219 196.14173889160156 9.160714149475098 196.99928283691406 3858.958740234375 197.06033325195312 167.67822265625 197.11090087890625 8.225000381469727 197.26869201660156 43.474056243896484 198.00161743164062 234.33531188964844 198.06570434570312 292.9313659667969 199.01397705078125 94.457275390625 199.06858825683594 100.65878295898438 203.02639770507812 193.15101623535156 205.0063934326172 149.12962341308594 205.04037475585938 486.3200378417969 206.03948974609375 69.3125 206.07057189941406 288.0209045410156 207.01959228515625 3936.577880859375 207.0586700439453 185.0833282470703 207.28102111816406 59.625 207.3882293701172 50.24007797241211 207.6282958984375 47.0239372253418 208.02676391601562 1365.957763671875 208.05616760253906 259.1077575683594 208.136962890625 5.333333492279053 209.0358123779297 1277.5794677734375 210.06829833984375 567.216796875 211.0733184814453 72.1454086303711 212.08262634277344 1042.53515625 212.12562561035156 42.03703689575195 212.15078735351562 14.142857551574707 213.0437774658203 257.7226867675781 213.08387756347656 247.91795349121094 214.01638793945312 29.88888931274414 215.02577209472656 653.3786010742188 216.043212890625 72.18118286132812 217.04339599609375 244.16026306152344 217.0956573486328 5.0 218.01705932617188 97.47669219970703 218.0441436767578 62.76861572265625 218.07998657226562 541.1563720703125 219.01846313476562 6.013888835906982 219.47128295898438 11.571428298950195 220.09422302246094 100.04537200927734 220.9996337890625 400.2148742675781 221.03602600097656 5399.65771484375 221.27084350585938 22.44499969482422 221.46078491210938 7.25 221.5123748779297 47.625 221.6343231201172 78.0 222.0420684814453 227.90756225585938 222.06622314453125 351.0018615722656 222.08450317382812 285.265380859375 222.1334228515625 14.142857551574707 222.15928649902344 9.01388931274414 222.21621704101562 11.027777671813965 222.2937774658203 33.367645263671875 223.0269775390625 231.686279296875 223.0527801513672 561.25 223.07452392578125 330.9698181152344 223.12464904785156 9.225000381469727 224.07887268066406 71.1276626586914 224.2153778076172 8.5625 224.38394165039062 7.5625 225.05233764648438 71.77564239501953 225.15049743652344 6.0625 227.02066040039062 47.26630401611328 228.6392822265625 19.016666412353516 229.01113891601562 73.64473724365234 229.04078674316406 2000.8349609375 229.1116485595703 18.69444465637207 230.01271057128906 139.1607208251953 230.04579162597656 162.55789184570312 231.0211181640625 508.265380859375 231.0545196533203 230.13851928710938 231.20350646972656 15.266304016113281 232.02854919433594 170.66409301757812 232.0548553466797 144.0053253173828 232.18663024902344 14.0 233.00100708007812 656.2977294921875 233.03587341308594 2569.468994140625 233.10304260253906 44.11249923706055 233.15908813476562 19.285715103149414 233.22842407226562 19.339284896850586 233.2582244873047 18.480262756347656 233.3381805419922 87.14893341064453 234.0375518798828 101.44999694824219 234.0664520263672 91.79255676269531 234.10250854492188 102.2256088256836 234.3026580810547 20.64285659790039 234.3261260986328 24.396739959716797 235.01596069335938 540.2556762695312 235.03524780273438 328.408447265625 235.07273864746094 346.8847961425781 236.0393829345703 146.47213745117188 237.0673828125 166.2449188232422 237.10098266601562 103.53191375732422 238.0609893798828 308.1000671386719 238.12469482421875 165.9310302734375 239.0570831298828 179.07040405273438 240.0779266357422 466.04962158203125 240.74623107910156 49.84807586669922 241.04083251953125 280.22369384765625 242.0094757080078 106.72100067138672 242.04122924804688 120.5950698852539 243.0244903564453 123.85713958740234 243.0529327392578 191.41603088378906 243.1033935546875 6.5 243.39865112304688 17.226852416992188 244.02874755859375 709.9429321289062 244.09800720214844 14.090909004211426 245.03546142578125 597.6400756835938 245.06845092773438 162.41281127929688 245.32118225097656 5.041666507720947 246.0421905517578 144.9275360107422 246.07479858398438 687.521728515625 246.1524658203125 8.449999809265137 247.0522003173828 805.7180786132812 247.2723846435547 20.454545974731445 247.9324493408203 69.60576629638672 248.05303955078125 188.0031280517578 248.0885772705078 111.65097045898438 248.14013671875 34.0 248.99510192871094 58.73724365234375 249.052490234375 254.1427001953125 250.06130981445312 399.96246337890625 250.1077423095703 13.11111068725586 250.1407012939453 12.0 250.31854248046875 31.939516067504883 251.42196655273438 13.059210777282715 252.0324249267578 245.6875 252.07164001464844 100.36489868164062 253.04481506347656 326.42059326171875 253.10464477539062 9.449999809265137 253.14295959472656 12.240385055541992 254.01148986816406 47.51524353027344 255.02203369140625 457.11431884765625 255.05247497558594 127.12255096435547 256.0269470214844 51.81666564941406 257.03582763671875 2162.67529296875 258.00775146484375 384.58172607421875 258.0473327636719 88.1022720336914 259.0178527832031 292.5858154296875 259.0499267578125 760.43212890625 260.02447509765625 1301.601318359375 260.1083068847656 136.14796447753906 260.49932861328125 14.053571701049805 260.9925842285156 147.17013549804688 261.0308837890625 608.3573608398438 261.05169677734375 449.17608642578125 261.3541259765625 47.78409194946289 261.3952331542969 9.125 262.0597839355469 55.06617736816406 263.0669250488281 61.72665023803711 263.08978271484375 65.61814880371094 263.4331359863281 26.0 264.07757568359375 271.5956726074219 265.0425109863281 271.36376953125 265.55609130859375 65.33531951904297 266.0760192871094 49.852272033691406 267.01995849609375 237.5928497314453 267.064453125 133.03846740722656 268.0741271972656 297.2688903808594 268.1091613769531 44.05263137817383 269.0369873046875 465.0369873046875 269.2303771972656 17.090909957885742 269.3471374511719 14.25 270.0049743652344 122.82276153564453 270.03466796875 61.0 270.11285400390625 39.245689392089844 271.01495361328125 216.2118377685547 271.0517883300781 295.965087890625 271.06903076171875 174.4273223876953 272.0198059082031 46.17287063598633 273.0305480957031 1655.73876953125 273.5151062011719 62.224998474121094 274.03570556640625 228.83511352539062 274.0584411621094 125.72309875488281 275.0045471191406 82.08390045166016 275.0456237792969 2369.873046875 275.0926208496094 107.11148834228516 275.13812255859375 8.5 275.2000732421875 50.002357482910156 275.2288818359375 8.035714149475098 275.349853515625 15.020833015441895 275.77099609375 10.47115421295166 276.0189208984375 570.531982421875 276.0516662597656 147.4545440673828 276.097900390625 40.818180084228516 277.0257263183594 262.061767578125 278.0304870605469 35.81686019897461 279.1251525878906 161.10430908203125 279.1601867675781 14.006579399108887 281.0340270996094 388.1493835449219 281.08282470703125 15.77884578704834 281.1129150390625 8.0625 282.0640563964844 123.93830871582031 283.01416015625 277.0303039550781 283.04815673828125 111.59868621826172 284.0228271484375 202.81686401367188 284.0811462402344 144.4445343017578 285.03033447265625 1684.2503662109375 285.10552978515625 11.800000190734863 286.0007019042969 684.1150512695312 286.0338134765625 341.0288391113281 286.0811462402344 49.599998474121094 286.2138366699219 23.55769157409668 286.9828796386719 24.016666412353516 287.0447082519531 294.7361145019531 287.0699157714844 167.1938018798828 287.53662109375 52.16008758544922 287.6607360839844 15.675000190734863 288.0181579589844 465.75 289.0237731933594 42.5610466003418 289.1108093261719 45.75 290.0537414550781 146.5633544921875 291.039794921875 118.12164306640625 291.0605773925781 58.281978607177734 292.041259765625 108.00833129882812 292.0716857910156 632.6636962890625 292.1085205078125 326.33489990234375 292.1531677246094 10.041666984558105 292.2006530761719 12.0054349899292 293.05438232421875 364.9824523925781 293.1033935546875 24.066177368164062 293.1325378417969 13.199999809265137 294.0075988769531 60.31034469604492 294.08612060546875 98.50416564941406 296.0220642089844 72.38888549804688 296.6395568847656 8.086538314819336 296.9934997558594 164.39210510253906 297.02996826171875 384.149658203125 297.1063232421875 8.199999809265137 298.0028076171875 113.58726501464844 298.0481262207031 79.375 299.0108337402344 376.22454833984375 299.0454406738281 465.9570617675781 299.1267395019531 10.208333015441895 300.02154541015625 173.80621337890625 300.07696533203125 88.64361572265625 301.02716064453125 1321.49560546875 301.0586242675781 269.4049987792969 301.1788330078125 30.68055534362793 301.310791015625 23.032142639160156 301.84149169921875 35.04166793823242 302.0257568359375 213.8090362548828 302.0534362792969 102.07499694824219 302.0928649902344 661.543212890625 303.0424499511719 2106.520263671875 303.09088134765625 104.73975372314453 303.3141784667969 49.375 303.3636169433594 47.003379821777344 304.0352478027344 46.26041793823242 304.07073974609375 54.28125 304.1093444824219 143.40834045410156 305.059814453125 46.1184196472168 305.3021545410156 53.0065803527832 307.01422119140625 350.8988952636719 307.081298828125 6.041666507720947 309.0298767089844 336.15277099609375 309.09283447265625 5.224999904632568 310.00433349609375 96.11161041259766 310.02984619140625 54.88461685180664 310.6999816894531 17.160715103149414 311.00799560546875 23.11111068725586 311.0419006347656 74.93951416015625 311.0665588378906 277.8096923828125 311.17913818359375 11.0 311.2955627441406 12.360294342041016 312.0189514160156 891.33056640625 313.0253601074219 444.875 313.0932312011719 16.076923370361328 313.9911193847656 21.72844886779785 314.0525817871094 50.00694274902344 315.0411071777344 727.8252563476562 315.1002197265625 12.024999618530273 316.01422119140625 73.13619232177734 316.0361022949219 61.40833282470703 316.0739440917969 31.446428298950195 316.1044006347656 130.72845458984375 317.051513671875 179.0625 317.1065368652344 74.08333587646484 317.3348083496094 18.08333396911621 317.378173828125 8.199999809265137 318.0520324707031 64.2249984741211 318.975830078125 83.08333587646484 319.9139709472656 30.47058868408203 319.9826965332031 69.14881134033203 320.1041564941406 343.5126037597656 320.1679382324219 8.199999809265137 320.6839294433594 12.024999618530273 321.0457763671875 90.76087188720703 323.0076599121094 27.349138259887695 324.0149230957031 80.95121765136719 325.02581787109375 794.801025390625 325.9301452636719 45.01041793823242 326.0329895019531 24.008333206176758 327.0006408691406 134.619384765625 327.0415954589844 390.0357666015625 328.0140075683594 170.18014526367188 328.5904235839844 29.59558868408203 329.0149841308594 76.0617446899414 329.0549621582031 57.375 330.0897521972656 287.80474853515625 330.9404296875 40.9262809753418 331.0360412597656 166.2553253173828 331.08837890625 124.736572265625 332.06640625 18.75 335.010009765625 132.3350067138672 335.05029296875 15.005952835083008 337.0251159667969 90.2727279663086 337.9992370605469 401.77813720703125 338.09124755859375 8.68055534362793 340.01202392578125 874.7218017578125 340.09686279296875 7.199999809265137 341.0138244628906 105.24852752685547 342.08709716796875 465.01666259765625 342.1376647949219 12.28125 343.03704833984375 69.23676300048828 343.09381103515625 54.14814758300781 344.1037292480469 191.43182373046875 344.63299560546875 12.011363983154297 345.0479736328125 173.46022033691406 346.0452575683594 55.36890411376953 348.0990905761719 312.6045837402344 348.6413269042969 25.005434036254883 352.06878662109375 247.07102966308594 353.0247802734375 113.10041046142578 355.035400390625 682.0427856445312 355.6549987792969 11.68055534362793 356.0029296875 96.8062515258789 356.2185363769531 14.285714149475098 357.0755615234375 172.0 357.7854309082031 17.796052932739258 362.0958557128906 134.24253845214844 365.0457763671875 32.002777099609375 365.9892578125 175.86778259277344 366.11151123046875 82.125 367.31573486328125 171.84445190429688 368.00921630859375 732.9072875976562 368.0929870605469 23.782407760620117 368.2239685058594 7.011363506317139 369.00970458984375 74.3125 370.0460510253906 36.565216064453125 370.083740234375 307.9689025878906 371.0314636230469 349.9833679199219 372.0990905761719 209.03460693359375 373.0519104003906 74.51524353027344 374.0774841308594 8.0 377.2956237792969 9.25 380.579833984375 14.0 383.0299072265625 160.79339599609375 384.0032043457031 213.44712829589844 385.0109558105469 23.160715103149414 385.06732177734375 15.25 386.0737609863281 78.5813980102539 388.0936584472656 100.32012176513672 398.0809326171875 159.88162231445312 399.0252685546875 178.24871826171875 400.0965576171875 29.086538314819336 409.1072998046875 38.9388313293457 416.08319091796875 79.6875 416.1391906738281 7.009615421295166 417.6529235839844 13.0 418.1108703613281 40.125 424.86279296875 42.44047546386719 434.0954895019531 182.34951782226562 434.1416015625 18.75 444.08404541015625 997.5294189453125 444.17498779296875 9.556818008422852 444.216552734375 25.173076629638672 444.6221618652344 19.901315689086914 445.0811462402344 115.20509338378906 462.1019592285156 160.125 463.09027099609375 49.07752990722656 806.4539794921875 16.115739822387695 896.4185791015625 53.31034469604492 1006.26171875 11.28125 1116.4561767578125 30.225000381469727 1137.4666748046875 53.775943756103516 1164.006591796875 12.25 1272.1253662109375 31.5 1320.8359375 41.42045593261719 1334.9935302734375 14.571428298950195 1587.9993896484375 14.25 1614.0439453125 73.00657653808594 1801.1788330078125 15.125 1804.2713623046875 37.05555725097656 1861.5509033203125 84.66666412353516 1914.3182373046875 18.375 1958.05615234375 9.050000190734863 END IONS BEGIN IONS TITLE=CCMSLIB00005723272 PEPMASS=478.324598 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=20.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_C8_Gentamycin-sulfate.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Gentamycin_20eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=CN[C@@H]([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@H]3OC[C@](O)([C@@H]([C@H]3O)NC)C)N)N)N)C INCHI=InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3/t9-,10-,11+,12-,13+,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1 INCHIAUX=CEAZRRDELHUEMR-CAMVTXANSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723272 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723272 SCANS=39642 72.08013153076172 130.60357666015625 102.23391723632812 46.36000061035156 113.08234405517578 219.8954620361328 113.12149810791016 5.375 114.09065246582031 363.8666687011719 114.11259460449219 45.969825744628906 114.13409423828125 6.0625 118.08589935302734 954.2064208984375 118.13715362548828 5.125 126.08940124511719 90.5186767578125 139.12310791015625 855.9600219726562 139.16934204101562 13.125 139.22581481933594 5.0625 140.10609436035156 408.25244140625 141.11048889160156 266.9536437988281 141.15821838378906 9.166666984558105 141.1829833984375 29.8810977935791 142.0873260498047 233.00106811523438 142.15011596679688 12.208333015441895 146.08265686035156 261.4970703125 146.1363067626953 5.224999904632568 157.1331787109375 6168.173828125 157.1941375732422 50.04941940307617 157.55880737304688 26.066667556762695 157.5843963623047 65.11136627197266 157.61697387695312 8.035714149475098 157.78097534179688 35.315216064453125 158.35752868652344 82.85185241699219 160.09664916992188 3147.985107421875 160.1538543701172 27.058822631835938 160.56280517578125 49.1467399597168 160.5803680419922 5.025000095367432 160.61944580078125 13.375 160.79608154296875 20.132352828979492 161.09666442871094 44.01041793823242 163.10804748535156 1176.6229248046875 163.14361572265625 40.25 163.2003936767578 13.148809432983398 163.35592651367188 28.28928565979004 164.11148071289062 175.00390625 168.61669921875 8.035714149475098 208.53480529785156 53.0025520324707 227.13967895507812 52.63377380371094 270.1770324707031 100.04710388183594 302.2071228027344 239.6544952392578 319.8572082519531 19.036291122436523 322.1973571777344 1887.096435546875 322.2878723144531 15.0 344.310791015625 30.3157901763916 441.6219787597656 21.004032135009766 460.03131103515625 30.034090042114258 461.1566162109375 21.058822631835938 461.2962951660156 891.3142700195312 461.3803405761719 15.007352828979492 461.4441223144531 6.050000190734863 462.2997131347656 306.9830627441406 478.1982727050781 31.142240524291992 478.3168640136719 61.56513977050781 710.736328125 18.604999542236328 END IONS BEGIN IONS TITLE=CCMSLIB00005723273 PEPMASS=478.324598 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=40.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_C8_Gentamycin-sulfate.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Gentamycin_40eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=CN[C@@H]([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@H]3OC[C@](O)([C@@H]([C@H]3O)NC)C)N)N)N)C INCHI=InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3/t9-,10-,11+,12-,13+,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1 INCHIAUX=CEAZRRDELHUEMR-CAMVTXANSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723273 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723273 SCANS=39975 55.053627014160156 71.68243408203125 56.45542526245117 40.387821197509766 58.065818786621094 165.64285278320312 67.05354309082031 114.05833435058594 82.0652084350586 399.39117431640625 82.0937728881836 24.65441131591797 83.04925537109375 171.1531524658203 84.08052825927734 496.1092529296875 86.0958023071289 110.3880615234375 96.08048248291016 339.2930908203125 98.09654235839844 302.4765930175781 99.18865203857422 53.125 100.07499694824219 688.0654907226562 110.09403991699219 75.94522094726562 111.09054565429688 66.20663452148438 112.07526397705078 798.63916015625 112.29551696777344 19.600000381469727 113.08551788330078 68.08654022216797 114.0916976928711 622.9342041015625 114.136474609375 7.1022725105285645 118.08564758300781 498.80364990234375 118.30155944824219 15.408333778381348 122.09674835205078 390.834716796875 126.0914306640625 250.16598510742188 126.14017486572266 9.75 127.09254455566406 77.48302459716797 128.1045379638672 21.57065200805664 128.39479064941406 25.0592098236084 129.1108856201172 98.40166473388672 139.12295532226562 1799.321533203125 139.16819763183594 30.72844886779785 139.3241729736328 23.235294342041016 140.10707092285156 947.1658935546875 140.43276977539062 59.265350341796875 142.0854949951172 500.2193298339844 142.11944580078125 57.32012176513672 155.3660125732422 26.55769157409668 157.1328887939453 2259.02880859375 157.18838500976562 21.29166603088379 157.41400146484375 9.556818008422852 160.0975341796875 1170.546875 160.1417999267578 23.066667556762695 160.16030883789062 8.875 163.10585021972656 1053.6134033203125 163.16111755371094 23.0625 169.09585571289062 81.59690856933594 170.1415252685547 199.65383911132812 206.94134521484375 16.163461685180664 227.13894653320312 44.92045593261719 283.1669006347656 158.2930145263672 290.65911865234375 22.72844886779785 292.9139709472656 61.91725540161133 302.20343017578125 46.346153259277344 321.7991638183594 142.9169921875 326.211181640625 123.15789794921875 338.7498474121094 92.76544952392578 END IONS BEGIN IONS TITLE=CCMSLIB00005723274 PEPMASS=478.324598 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=50.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_C8_Gentamycin-sulfate.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Gentamycin_50eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=CN[C@@H]([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@H]3OC[C@](O)([C@@H]([C@H]3O)NC)C)N)N)N)C INCHI=InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3/t9-,10-,11+,12-,13+,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1 INCHIAUX=CEAZRRDELHUEMR-CAMVTXANSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723274 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723274 SCANS=40307 55.055057525634766 263.7363586425781 56.04921340942383 167.1303253173828 57.05315017700195 111.4963607788086 58.06483459472656 1261.869384765625 58.08757400512695 47.0099983215332 60.0440559387207 159.4105224609375 68.04984283447266 85.75675964355469 69.03299713134766 70.3829345703125 70.06438446044922 221.64649963378906 70.08867645263672 6.0625 71.0140380859375 128.25621032714844 72.0444564819336 209.01817321777344 72.079833984375 201.27981567382812 72.11188507080078 6.125 73.05342102050781 153.0484619140625 80.04779052734375 18.657608032226562 81.0694580078125 196.62135314941406 81.473876953125 33.100608825683594 82.06466674804688 676.0865478515625 82.0987319946289 19.053571701049805 82.1369857788086 10.666666984558105 83.04905700683594 159.11846923828125 84.04549407958984 150.38548278808594 84.08209228515625 408.7202453613281 85.07392120361328 136.60000610351562 86.0604019165039 325.1315612792969 86.09517669677734 140.91871643066406 96.08049011230469 442.3796081542969 96.11048126220703 10.011363983154297 97.31765747070312 15.375 98.04743957519531 83.77687072753906 98.0601577758789 101.72844696044922 98.09661865234375 657.5034790039062 98.13011169433594 13.125 98.19393920898438 40.818180084228516 99.0673599243164 36.28409194946289 99.09923553466797 292.61248779296875 99.14686584472656 6.0 100.07539367675781 1741.653564453125 100.11415100097656 19.066177368164062 102.05516815185547 408.22283935546875 102.0963363647461 18.66666603088379 111.09024810791016 608.858154296875 112.07565307617188 1331.008056640625 112.11136627197266 256.875 112.25080108642578 69.46944427490234 114.0911636352539 645.73974609375 118.08580780029297 441.55242919921875 118.12757873535156 9.008333206176758 118.33414459228516 15.066176414489746 122.09515380859375 151.69615173339844 126.09149932861328 1575.78125 126.13433074951172 18.125 126.1538314819336 33.39130401611328 128.10678100585938 297.06329345703125 139.12210083007812 989.0911865234375 139.16017150878906 29.007352828979492 140.10670471191406 84.375 140.12600708007812 176.5955047607422 142.08448791503906 378.5084228515625 157.13319396972656 1095.36181640625 157.18292236328125 10.0 157.46139526367188 104.26651000976562 160.10108947753906 35.27364730834961 163.1077880859375 173.4481658935547 172.09707641601562 56.08928680419922 187.10238647460938 25.16532325744629 212.81884765625 114.02867126464844 235.49993896484375 10.03125 271.1614990234375 128.6676788330078 302.2033386230469 40.57341384887695 335.0948486328125 41.26041793823242 352.7769775390625 20.173076629638672 384.8460693359375 124.97590637207031 1159.697509765625 34.125 1325.255615234375 17.160715103149414 1717.5623779296875 15.796052932739258 END IONS BEGIN IONS TITLE=CCMSLIB00005723275 PEPMASS=350.118164 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=20.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_C9_Ampicillin.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Ampicillin_20eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=OC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C INCHI=InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1 INCHIAUX=AVKUERGKIZMTKX-NJBDSQKTSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723275 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723275 SCANS=73294 51.506046295166016 267.0416564941406 53.03886413574219 777.1763305664062 55.05437469482422 704.8184814453125 58.99489974975586 351.20074462890625 62.00556182861328 928.9114379882812 65.0384521484375 276.3630676269531 67.05400848388672 267.9833679199219 68.01277160644531 476.85968017578125 68.04936218261719 2101.480712890625 68.97925567626953 241.476806640625 69.0445556640625 399.0215148925781 70.02864074707031 3807.417236328125 70.06536865234375 129736.3828125 71.03006744384766 342.0530090332031 71.04910278320312 3515.087158203125 71.0684814453125 2962.34033203125 72.08113098144531 2405.011474609375 72.99746704101562 333.5195617675781 74.00611877441406 17541.732421875 74.03949737548828 283.0082092285156 77.03890991210938 2482.71826171875 79.05447387695312 26996.5859375 80.05785369873047 779.084716796875 81.03412628173828 1090.2939453125 81.05734252929688 356.6759338378906 82.06505584716797 1880.615966796875 84.08108520507812 2286.495849609375 86.0057601928711 4808.515625 86.05933380126953 276.8926086425781 86.98892974853516 257.82257080078125 87.00117492675781 250.1602783203125 87.02606964111328 2420.646240234375 88.07632446289062 271.6756896972656 90.04685974121094 247.0416717529297 91.05414581298828 23447.373046875 92.05677032470703 1134.7266845703125 94.06498718261719 1995.58056640625 95.07217407226562 444.3450622558594 96.0086898803711 374.00762939453125 96.04423522949219 25877.861328125 96.0816421508789 522.625 97.04736328125 1228.344482421875 97.07555389404297 239.99412536621094 98.05963134765625 4632.3779296875 99.02670288085938 255.68055725097656 99.04386901855469 6942.4169921875 100.0214614868164 525.25 102.00023651123047 286.6408386230469 103.05425262451172 764.4774169921875 105.0323486328125 464.1600341796875 105.07013702392578 608.0670776367188 105.91114807128906 255.21917724609375 105.97100067138672 363.65777587890625 106.06529235839844 2272968.25 106.37033081054688 234.0523681640625 106.42195892333984 232.3789825439453 106.46005249023438 336.2186584472656 106.49334716796875 239.8658905029297 106.51722717285156 280.8825378417969 106.54803466796875 323.6453857421875 106.57329559326172 294.41259765625 106.5869140625 233.8000946044922 106.6104965209961 318.90924072265625 106.64533233642578 240.2042236328125 107.06841278076172 59276.2578125 109.07577514648438 1633.7923583984375 110.0596694946289 2254.0341796875 111.09039306640625 1347.0001220703125 113.03500366210938 1309.35205078125 114.0008544921875 230534.171875 114.03684997558594 71627.5390625 114.05329895019531 29475.75390625 114.41358947753906 258.98638916015625 115.00364685058594 4301.7060546875 115.04042053222656 2841.169189453125 115.05335235595703 2572.273681640625 116.05231475830078 657.963134765625 116.0705337524414 7244.8935546875 117.05740356445312 914.051513671875 118.04106903076172 2233.431884765625 118.0649185180664 64706.828125 119.04927825927734 13418.9189453125 119.0673599243164 3713.638916015625 120.05321502685547 755.4688110351562 120.08171081542969 396.3999938964844 121.01057434082031 18671.326171875 122.01441955566406 880.7904052734375 122.05970764160156 3992.798095703125 123.02561950683594 2372.36962890625 123.0916748046875 326.10345458984375 124.0391616821289 1424.7406005859375 124.07598876953125 429.9514465332031 125.0417709350586 305.6534118652344 125.07034301757812 279.698974609375 126.03701782226562 2393.28125 126.05349731445312 955.1021118164062 128.05162048339844 7954.8291015625 128.06954956054688 7526.49609375 129.05575561523438 279.0249938964844 130.0649871826172 5366.05419921875 131.04818725585938 2131.66455078125 131.0735321044922 1681.67138671875 132.08035278320312 8505.708984375 133.0771484375 318.0 134.06021118164062 1740.352783203125 135.02561950683594 934.9779052734375 135.0554962158203 596.4207763671875 137.04161071777344 2508.4462890625 137.0707550048828 12294.025390625 138.0540008544922 352.3136901855469 138.07455444335938 516.520751953125 139.08670043945312 3909.376220703125 141.02987670898438 354.1022644042969 141.04849243164062 2651.177978515625 142.03195190429688 4653.54736328125 142.0502166748047 3751.455322265625 143.0635528564453 2204.075439453125 145.07505798339844 823.6978149414062 146.03900146484375 302.46026611328125 146.05995178222656 44655.20703125 146.33157348632812 279.125 147.02586364746094 12654.8994140625 147.06173706054688 1886.255126953125 148.0309600830078 318.00042724609375 149.04147338867188 2538.914306640625 149.07199096679688 240.2903289794922 150.0376739501953 2111.82373046875 152.01547241210938 339.02093505859375 153.0286407470703 418.7290954589844 153.04400634765625 271.51220703125 153.06517028808594 313.5746154785156 154.03131103515625 869.7432861328125 155.08119201660156 973.136474609375 156.04550170898438 316.058837890625 156.0802001953125 245.78640747070312 158.06056213378906 4021.919677734375 158.09625244140625 831.544677734375 159.06756591796875 1063.0533447265625 160.01458740234375 405.18017578125 160.04238891601562 453879.875 161.04550170898438 16619.39453125 162.03736877441406 12577.9375 163.0424346923828 609.1638793945312 163.0544891357422 535.0014038085938 163.08639526367188 2729.72216796875 164.05294799804688 141560.203125 165.06564331054688 68787.6015625 166.0495147705078 463.78582763671875 166.06890869140625 2964.9599609375 167.0811309814453 5637.23193359375 168.0770263671875 256.6016540527344 169.0430908203125 3644.609619140625 170.02601623535156 534.4404296875 171.0580291748047 2213.819091796875 172.03758239746094 232.8793487548828 172.11236572265625 817.0945434570312 173.0029754638672 255.04197692871094 173.04977416992188 1649.2938232421875 173.06982421875 2027.7012939453125 174.05477905273438 416411.53125 175.02151489257812 2608.1572265625 175.0584716796875 21167.525390625 176.05825805664062 252.60357666015625 177.04837036132812 370.1685791015625 178.0315399169922 3594.56298828125 183.07608032226562 4465.50732421875 184.0801544189453 339.6177673339844 184.11355590820312 342.7066650390625 185.04733276367188 875.9418334960938 185.0706329345703 3422.114013671875 186.05181884765625 514.0680541992188 186.0900115966797 297.7272644042969 187.0331268310547 263.5436706542969 187.0533905029297 14035.6826171875 188.03773498535156 2139.458984375 188.06097412109375 14393.4794921875 189.06814575195312 3274.14208984375 190.0321044921875 14117.3779296875 190.0673065185547 1094.404052734375 190.09605407714844 574.7628784179688 191.0375518798828 2322.4189453125 191.08151245117188 625.7408447265625 192.0150146484375 483.8849182128906 192.04766845703125 476737.6875 192.6922149658203 234.4536895751953 193.05848693847656 44414.9140625 194.06402587890625 1663.4852294921875 197.0374298095703 4611.4990234375 198.38426208496094 272.4744873046875 199.1217041015625 469.2080993652344 200.10694885253906 5641.34619140625 201.0013427734375 265.25 201.06517028808594 505.2099914550781 201.10986328125 665.8977661132812 202.0525360107422 429.05419921875 202.09640502929688 849.2357177734375 204.04681396484375 248.0102081298828 204.08351135253906 379.213623046875 204.10044860839844 985.6371459960938 205.0426788330078 2822.982177734375 206.05078125 7349.07177734375 208.0428009033203 558.0125732421875 209.03602600097656 301.2349853515625 210.0928192138672 362.00177001953125 211.0714569091797 56881.18359375 212.07447814941406 3114.719482421875 213.0657958984375 1114.169677734375 213.10133361816406 302.3515930175781 214.0691680908203 803.5938110351562 214.08364868164062 520.2366943359375 215.048583984375 15771.75 215.1161651611328 317.85382080078125 216.0542755126953 1089.79443359375 216.08340454101562 3589.8095703125 217.04241943359375 946.9658203125 217.0631866455078 1212.6094970703125 218.02691650390625 41168.5859375 218.0980224609375 744.7340087890625 219.02842712402344 1414.2352294921875 219.06394958496094 242.29705810546875 220.07716369628906 537.9173583984375 225.1015167236328 715.4447021484375 226.08621215820312 297.6368103027344 227.05148315429688 456.9422607421875 227.1185760498047 1553.727783203125 229.0413055419922 312.3265686035156 231.0752716064453 1726.3817138671875 231.0937957763672 2537.501953125 232.07894897460938 677.9649658203125 233.11009216308594 2615.921875 236.03512573242188 304.8804931640625 241.0970458984375 374.4604187011719 242.0648193359375 2574.5546875 243.11012268066406 602.2916870117188 244.07867431640625 3730.746337890625 245.06011962890625 2392.989013671875 246.06015014648438 535.1360473632812 247.05255126953125 705.572509765625 253.09808349609375 512.87939453125 255.1140594482422 364.82452392578125 257.0749206542969 238.28269958496094 259.0900573730469 30158.13671875 260.0732116699219 1382.24462890625 260.0924377441406 3388.742919921875 261.0779724121094 441.0511474609375 261.10577392578125 8155.08544921875 262.09271240234375 1552.711181640625 264.06842041015625 518.25 270.0581359863281 1481.6171875 271.08831787109375 265.0968933105469 271.1089172363281 745.022705078125 275.0470886230469 549.5714111328125 276.06640625 421.2314147949219 276.1142883300781 295.81890869140625 277.1004333496094 2235.111328125 278.1024169921875 447.1200256347656 282.0999755859375 239.26531982421875 287.08489990234375 8996.7939453125 288.070556640625 1819.8172607421875 289.10052490234375 7981.1845703125 290.1036376953125 1249.0113525390625 305.0950012207031 20095.912109375 306.09771728515625 2125.106689453125 309.9406433105469 266.1978759765625 315.0815124511719 1667.10791015625 332.10406494140625 353.803466796875 333.09051513671875 10068.712890625 334.0926818847656 1592.9588623046875 350.11798095703125 3130.125 351.1196594238281 430.5113525390625 370.8764953613281 263.5668029785156 713.951416015625 263.625 END IONS BEGIN IONS TITLE=CCMSLIB00005723276 PEPMASS=350.118164 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=40.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_C9_Ampicillin.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Ampicillin_40eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=OC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C INCHI=InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1 INCHIAUX=AVKUERGKIZMTKX-NJBDSQKTSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723276 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723276 SCANS=73626 51.02311325073242 2371.167236328125 53.03882598876953 11881.0224609375 54.03359603881836 840.6060180664062 54.04023361206055 526.1362915039062 55.0174560546875 263.93792724609375 55.05435562133789 10217.0419921875 56.013397216796875 320.5079345703125 56.05033493041992 306.947998046875 56.05702209472656 257.72979736328125 57.0333366394043 777.5413818359375 57.05057907104492 274.1427307128906 57.070777893066406 242.81719970703125 58.028690338134766 586.7713623046875 58.065460205078125 240.3787841796875 58.995094299316406 13003.1162109375 59.04940414428711 709.36962890625 59.99065399169922 1504.98779296875 60.99883270263672 230.0037841796875 62.005924224853516 3031.1142578125 65.03878021240234 3013.09375 67.02832794189453 302.9134521484375 67.05432891845703 3633.93798828125 68.01322174072266 34403.5390625 68.04971313476562 20908.8515625 68.08247375488281 376.6805419921875 69.01665496826172 503.6556396484375 69.04463195800781 4581.89599609375 69.07012939453125 976.56982421875 70.02886962890625 3717.28076171875 70.06547546386719 146395.671875 70.382568359375 196.11392211914062 71.04937744140625 10070.38671875 71.0691146850586 4392.76953125 71.0950927734375 206.456787109375 71.99016571044922 1645.9530029296875 72.0813980102539 2546.12255859375 72.99824523925781 3362.071533203125 73.06512451171875 258.52825927734375 74.00611114501953 65565.6796875 75.00920867919922 967.613037109375 75.02604675292969 2508.638427734375 77.03878784179688 16871.291015625 77.18437194824219 238.88665771484375 78.04026794433594 1314.695556640625 79.05436706542969 309439.53125 79.3199234008789 300.1114196777344 80.05756378173828 9818.470703125 81.03370666503906 2175.148193359375 81.05712890625 1983.374267578125 82.029541015625 256.2087707519531 82.05323791503906 387.68890380859375 82.06524658203125 11307.6123046875 83.04899597167969 209.11801147460938 83.06645202636719 499.2848815917969 84.08104705810547 3621.953125 85.01051330566406 2166.521484375 85.03923034667969 1237.57666015625 85.96983337402344 438.6211242675781 86.00599670410156 64692.5234375 86.99166107177734 842.33544921875 87.00867462158203 1148.4969482421875 87.02651977539062 45001.57421875 88.02985382080078 510.0010681152344 88.07536315917969 263.0 89.01632690429688 1004.1845092773438 89.04013061523438 1047.3353271484375 90.04596710205078 3256.864501953125 91.05435180664062 141475.78125 92.05714416503906 7866.3359375 93.05923461914062 383.8865966796875 94.06489562988281 18975.6484375 95.02440643310547 565.0859375 95.0487289428711 670.6355590820312 95.0721206665039 1941.6319580078125 96.00788879394531 4278.267578125 96.04421997070312 32505.3125 96.07964324951172 1753.9578857421875 97.01063537597656 930.5723266601562 97.04552459716797 2346.7265625 98.00574493408203 1419.00927734375 98.0597152709961 6477.1796875 99.026123046875 386.00372314453125 99.04405975341797 8471.2021484375 100.02186584472656 353.14117431640625 100.04873657226562 696.9585571289062 100.07563781738281 1698.80517578125 101.01665496826172 650.8429565429688 101.04154205322266 622.9796142578125 102.00052642822266 562.399169921875 102.04156494140625 333.1361083984375 103.05418395996094 16949.787109375 103.09231567382812 233.125 104.05526733398438 2419.97216796875 104.64826202392578 270.2853698730469 105.0332260131836 1834.642822265625 105.06965637207031 2438.02587890625 106.0651626586914 1807806.0 106.36907196044922 193.93238830566406 106.39698791503906 272.5694580078125 106.42656707763672 319.9739685058594 106.4826431274414 306.0417175292969 106.51091003417969 271.5325927734375 106.56807708740234 193.31454467773438 106.58464050292969 300.5032043457031 106.64485931396484 184.45779418945312 107.0484390258789 1232.5218505859375 107.06830596923828 50464.46484375 108.06672668457031 187.51625061035156 109.01033782958984 1452.8895263671875 109.04005432128906 370.3682861328125 109.07589721679688 9571.2509765625 110.02395629882812 360.9227600097656 110.05965423583984 3543.357177734375 110.08102416992188 835.9230346679688 111.05484008789062 358.74481201171875 111.09115600585938 925.4793090820312 111.98442840576172 444.4949645996094 112.02112579345703 291.5454406738281 112.07552337646484 218.77127075195312 113.03376007080078 3303.321533203125 114.00067138671875 264900.8125 114.03710174560547 349781.75 114.37683868408203 380.0722961425781 114.40216064453125 206.92025756835938 115.00361633300781 4634.67236328125 115.04005432128906 8410.7177734375 115.05237579345703 9462.8056640625 116.05294036865234 2184.81005859375 116.06908416748047 1443.0704345703125 117.01078796386719 342.25 117.0570297241211 30186.412109375 118.04103088378906 18787.287109375 118.06482696533203 374020.375 118.58854675292969 202.10745239257812 119.04900360107422 19889.35546875 119.06812286376953 12943.4404296875 120.04834747314453 1285.0 120.08007049560547 7248.58740234375 121.01050567626953 83374.75 122.015869140625 4590.73779296875 122.05956268310547 26806.09375 122.10367584228516 308.0019226074219 123.02619934082031 11077.1376953125 123.0572509765625 1101.3475341796875 123.08833312988281 349.376708984375 124.02251434326172 812.4596557617188 124.03994750976562 764.0889282226562 125.03412628173828 337.375 125.07054901123047 1597.0330810546875 126.0374984741211 4144.599609375 126.053466796875 2550.896728515625 127.03189086914062 1372.1553955078125 127.05794525146484 518.9649047851562 128.01719665527344 256.1609191894531 128.05006408691406 32249.359375 129.01205444335938 326.1954040527344 129.05455017089844 1217.35205078125 129.06712341308594 1242.5948486328125 130.0469207763672 207.1602783203125 130.0650634765625 40103.83203125 131.04869079589844 4486.72998046875 131.07235717773438 10509.8916015625 131.24252319335938 304.91851806640625 132.0453338623047 1839.430419921875 132.0810089111328 6839.5595703125 133.03176879882812 261.0087585449219 133.07952880859375 1126.918701171875 134.01846313476562 212.41326904296875 134.05972290039062 1587.4097900390625 135.02618408203125 17060.00390625 136.02931213378906 905.170654296875 137.0037841796875 281.9061279296875 137.04180908203125 27158.865234375 137.0707244873047 47748.76171875 138.04562377929688 1199.31298828125 138.07461547851562 2032.2919921875 139.08607482910156 2118.50927734375 140.04808044433594 323.8928527832031 140.06832885742188 334.8800964355469 141.04818725585938 8199.654296875 142.03208923339844 13862.451171875 143.03237915039062 281.0401916503906 143.066162109375 2664.3251953125 144.0436553955078 441.582763671875 144.0725555419922 568.543212890625 145.03085327148438 318.1785583496094 145.0760955810547 4452.4521484375 146.01856994628906 419.1977844238281 146.05982971191406 66160.390625 147.02589416503906 45512.8671875 147.06272888183594 4636.68505859375 148.02854919433594 2473.219970703125 148.0763702392578 226.6334686279297 149.0419158935547 1328.1021728515625 149.06838989257812 207.64627075195312 150.03729248046875 3121.345703125 151.02023315429688 288.8196716308594 151.04559326171875 364.5706481933594 152.01527404785156 796.7230224609375 153.04859924316406 804.5252685546875 153.06582641601562 837.785888671875 154.03033447265625 636.1175537109375 154.06930541992188 671.43408203125 155.00157165527344 248.4362030029297 155.07386779785156 227.00961303710938 156.04595947265625 986.7731323242188 156.08074951171875 302.96160888671875 157.05078125 954.456787109375 157.0774383544922 4894.53955078125 158.06057739257812 4746.5810546875 158.09503173828125 1982.9635009765625 159.06771850585938 6402.06689453125 160.0425262451172 77344.0546875 161.00421142578125 249.21038818359375 161.04563903808594 1799.8592529296875 161.070068359375 240.88511657714844 162.03726196289062 27599.96875 163.0211181640625 1377.0426025390625 163.04156494140625 1947.43310546875 164.01429748535156 194.4407958984375 164.05267333984375 42428.6015625 165.06582641601562 24341.31640625 166.0686492919922 916.4906616210938 167.07891845703125 1071.339111328125 168.0101776123047 250.2844696044922 168.07843017578125 217.93145751953125 169.04269409179688 2094.2138671875 169.0756378173828 2987.42333984375 170.05224609375 267.5565185546875 170.08824157714844 385.4802551269531 171.05848693847656 442.19024658203125 171.09193420410156 1640.96435546875 172.02195739746094 1325.9901123046875 172.1125030517578 843.658203125 173.00485229492188 198.5540771484375 173.0297393798828 2780.1064453125 173.07008361816406 795.0755615234375 174.03672790527344 10840.2607421875 174.05453491210938 30490.689453125 175.021728515625 2616.90673828125 175.05740356445312 1668.4039306640625 176.02481079101562 355.3767395019531 177.0475616455078 377.4750061035156 178.03085327148438 1002.220458984375 180.08018493652344 260.38983154296875 181.0883026123047 404.0163269042969 182.07017517089844 194.8130645751953 182.0955352783203 583.8820190429688 183.0942840576172 1651.6689453125 184.03651428222656 390.0534362792969 184.0926971435547 326.8173828125 184.11154174804688 557.5020141601562 185.0485382080078 975.9849243164062 185.071044921875 2915.807373046875 185.10853576660156 244.03515625 186.0359649658203 200.16441345214844 186.0756072998047 476.9879455566406 186.0900115966797 342.69000244140625 187.02870178222656 530.9478759765625 187.05381774902344 1912.218505859375 187.0886688232422 342.55224609375 188.0153045654297 593.0650634765625 188.06085205078125 1877.6171875 189.04637145996094 345.9764709472656 189.06747436523438 819.9629516601562 190.03187561035156 7128.59130859375 190.0706024169922 511.7153015136719 191.04051208496094 1639.7144775390625 191.06768798828125 281.2272644042969 192.04763793945312 5855.671875 193.05795288085938 1580.0001220703125 194.0587921142578 406.55584716796875 195.08987426757812 487.02337646484375 197.036865234375 328.2230224609375 197.10597229003906 937.1709594726562 198.0767364501953 283.5082092285156 198.09095764160156 345.9917297363281 199.05690002441406 418.573974609375 199.12261962890625 241.58132934570312 200.0252227783203 320.4215393066406 200.106689453125 1344.0308837890625 201.0243377685547 294.0037841796875 201.0643768310547 492.722900390625 202.09817504882812 191.91136169433594 203.0773468017578 475.027587890625 204.0839080810547 505.0097961425781 205.0423126220703 406.8940734863281 206.04995727539062 870.41064453125 209.1066436767578 769.75 210.1148223876953 330.7908630371094 211.07569885253906 622.4852905273438 211.12387084960938 726.9107666015625 212.10626220703125 204.4542999267578 213.06390380859375 329.1200866699219 213.10044860839844 284.16070556640625 214.06837463378906 1629.469482421875 215.080078125 559.1098022460938 216.08322143554688 1042.2044677734375 218.0275421142578 3141.003662109375 219.02989196777344 279.564453125 219.0594482421875 343.55560302734375 225.10301208496094 312.1602478027344 227.11717224121094 458.6666564941406 230.08119201660156 239.36007690429688 231.09423828125 1490.551513671875 243.11544799804688 341.1200866699219 244.06314086914062 294.2966003417969 259.08795166015625 431.3539123535156 263.81658935546875 255.11688232421875 833.7603149414062 255.18243408203125 1093.8829345703125 266.1296081542969 1791.8896484375 213.42691040039062 END IONS BEGIN IONS TITLE=CCMSLIB00005723277 PEPMASS=350.118164 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=50.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_C9_Ampicillin.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Ampicillin_50eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=OC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C INCHI=InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1 INCHIAUX=AVKUERGKIZMTKX-NJBDSQKTSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723277 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723277 SCANS=73958 50.01353073120117 156.09461975097656 51.02334213256836 4428.943359375 52.01775360107422 221.8891143798828 53.001686096191406 153.66748046875 53.038970947265625 36908.48828125 54.03361511230469 738.0016479492188 54.042755126953125 1127.01953125 55.017887115478516 853.4208374023438 55.0277214050293 703.3912963867188 55.05438995361328 14592.564453125 55.08354568481445 211.29730224609375 55.09455490112305 160.70639038085938 56.01327896118164 639.1025390625 56.050106048583984 596.248046875 57.02092361450195 507.660888671875 57.03361511230469 1214.0128173828125 57.044273376464844 768.8906860351562 57.07087707519531 179.86863708496094 57.986854553222656 455.0618591308594 58.064491271972656 239.14508056640625 58.995296478271484 33235.11328125 59.049076080322266 1450.2586669921875 59.164737701416016 134.21311950683594 59.99222946166992 1383.7032470703125 60.0449333190918 145.40789794921875 60.99843978881836 627.4320068359375 62.006126403808594 4664.99853515625 62.954715728759766 148.07835388183594 63.00577163696289 253.96302795410156 63.02320098876953 315.020751953125 65.03878784179688 9873.26953125 66.0332260131836 183.69174194335938 67.01904296875 371.0765686035156 67.0284194946289 521.6311645507812 67.0416488647461 1749.4886474609375 67.05406188964844 5477.61474609375 68.01321411132812 55912.8046875 68.04985046386719 34073.6875 68.19074249267578 160.6404571533203 68.20946502685547 172.0 68.9795150756836 815.9531860351562 69.0177001953125 1040.0418701171875 69.03295135498047 1449.0400390625 69.0444564819336 7889.83984375 69.06920623779297 631.0048217773438 69.98309326171875 218.50567626953125 70.02886962890625 3773.04736328125 70.06539916992188 132516.109375 70.995361328125 636.4329223632812 71.02375793457031 305.8457336425781 71.03553009033203 309.17303466796875 71.04939270019531 8505.751953125 71.06890869140625 2826.056640625 71.98998260498047 983.7194213867188 72.08091735839844 3699.1669921875 72.99803924560547 4734.189453125 74.00614929199219 58542.47265625 75.0091323852539 961.8450927734375 75.02608489990234 2585.223876953125 77.02334594726562 252.1040802001953 77.03864288330078 37416.55078125 78.0405044555664 2309.30712890625 78.92495727539062 138.32557678222656 79.01679229736328 220.2118682861328 79.05425262451172 591363.75 79.3590087890625 208.23873901367188 79.38233947753906 147.5651092529297 79.46305847167969 208.00320434570312 79.542724609375 152.00131225585938 80.05760955810547 12743.21484375 80.20734405517578 225.65760803222656 81.03350067138672 2347.949462890625 81.04301452636719 1561.4580078125 81.05668640136719 2901.374755859375 82.0281982421875 468.581787109375 82.06539154052734 11367.51953125 82.43694305419922 134.02540588378906 83.06856536865234 288.70269775390625 83.98987579345703 612.7540893554688 84.0306167602539 144.0009765625 84.0450439453125 699.906494140625 84.0807876586914 3926.06591796875 85.01043701171875 3956.3349609375 85.03949737548828 1534.644287109375 85.08293914794922 189.41860961914062 85.96943664550781 446.33587646484375 86.00609588623047 102760.359375 86.29199981689453 133.3265380859375 86.98969268798828 473.702880859375 87.00960540771484 1777.6875 87.0263900756836 91106.2734375 88.00865936279297 285.1600646972656 88.02935791015625 2255.302490234375 89.01648712158203 210.94676208496094 89.03922271728516 3554.27294921875 89.99858856201172 211.44876098632812 90.04630279541016 17701.099609375 90.08259582519531 237.78240966796875 90.27471923828125 169.84483337402344 91.05410766601562 288662.90625 91.40531921386719 149.87538146972656 91.4609375 170.48524475097656 91.84939575195312 144.39096069335938 92.05695343017578 11187.8798828125 93.05542755126953 702.3553466796875 93.06910705566406 609.75 94.06517028808594 18204.267578125 94.10523223876953 323.28009033203125 94.24156188964844 265.9342956542969 95.02392578125 655.5125122070312 95.04852294921875 629.01171875 95.07022857666016 1641.1468505859375 96.00792694091797 4930.63525390625 96.04427337646484 22764.0546875 96.97469329833984 285.6016845703125 97.00997924804688 1466.80615234375 97.04037475585938 838.1607055664062 97.07556915283203 299.53509521484375 98.00714874267578 1002.8343505859375 98.0204849243164 545.1565551757812 98.05973052978516 6002.54541015625 99.02618408203125 1381.31591796875 99.04412841796875 6143.4033203125 99.98572540283203 527.0751342773438 100.02118682861328 338.722900390625 100.07571411132812 637.0523071289062 101.01661682128906 707.9505615234375 101.03843688964844 1276.8900146484375 101.05884552001953 290.31195068359375 102.00009155273438 741.714599609375 102.03598022460938 687.4515991210938 102.0452880859375 491.528076171875 103.03008270263672 216.9822998046875 103.05439758300781 36369.48828125 104.05521392822266 4538.8916015625 105.0327377319336 1658.6536865234375 105.06958770751953 2898.4130859375 106.06510162353516 1260651.125 106.3798599243164 479.9681091308594 106.40726470947266 361.4676818847656 106.44496154785156 410.3653564453125 106.50035858154297 251.5592041015625 106.60635375976562 130.15672302246094 106.63089752197266 207.10537719726562 106.66902923583984 211.71591186523438 106.82843780517578 138.66793823242188 107.04884338378906 818.49560546875 107.068359375 31115.26953125 107.21956634521484 185.01051330566406 108.04475402832031 780.0007934570312 108.06947326660156 174.22500610351562 109.01032257080078 2333.5869140625 109.04940795898438 662.7705078125 109.07581329345703 10790.275390625 109.33898162841797 276.373291015625 110.05924224853516 2258.416748046875 110.08140563964844 492.76397705078125 111.01151275634766 197.3200225830078 111.0264892578125 242.36756896972656 111.0654296875 208.32154846191406 111.09113311767578 1016.6627807617188 111.98443603515625 991.9392700195312 112.02173614501953 270.8351135253906 113.03053283691406 2485.261474609375 113.92342376708984 152.37069702148438 114.00084686279297 131646.25 114.037109375 288192.78125 114.39808654785156 165.93710327148438 114.42196655273438 171.11273193359375 114.4367446899414 129.0796356201172 114.52407836914062 132.80621337890625 114.67642211914062 145.42013549804688 115.00314331054688 3597.5068359375 115.03932189941406 8395.91015625 115.05338287353516 11354.5654296875 116.00298309326172 155.50567626953125 116.0525131225586 3410.806640625 117.05716705322266 68842.25 117.97588348388672 185.40478515625 117.99352264404297 175.15655517578125 118.04126739501953 31068.51171875 118.06477355957031 312284.78125 118.38999938964844 238.31532287597656 118.43287658691406 169.6504364013672 118.53955841064453 162.1611785888672 118.55860900878906 131.54061889648438 118.63550567626953 142.2757568359375 118.69288635253906 161.10821533203125 118.71742248535156 131.56678771972656 119.04875946044922 11178.2333984375 119.06842803955078 10826.619140625 119.12867736816406 139.3205108642578 120.0442886352539 1094.0267333984375 120.08016204833984 7280.23681640625 120.98686981201172 164.15977478027344 121.01056671142578 100080.7421875 122.0152816772461 4914.857421875 122.05952453613281 8680.3154296875 123.02587890625 11304.365234375 123.05284118652344 1273.0018310546875 123.0888900756836 300.18560791015625 124.02124786376953 1005.5086669921875 124.06117248535156 143.00946044921875 124.07440948486328 159.37158203125 125.07215118408203 159.3498077392578 126.03750610351562 3360.99755859375 127.03255462646484 2430.2509765625 128.01434326171875 199.11341857910156 128.04994201660156 39756.28515625 129.01116943359375 166.1204833984375 129.03176879882812 427.2401123046875 129.05564880371094 2390.39990234375 130.06504821777344 41404.546875 131.04925537109375 5278.755859375 131.07254028320312 6900.501953125 132.04518127441406 938.8275146484375 132.08041381835938 4770.4228515625 133.00997924804688 199.0752716064453 133.05172729492188 495.0251159667969 133.080322265625 374.4215087890625 134.0166015625 990.8696899414062 134.0599822998047 831.1893310546875 135.02621459960938 21688.326171875 136.0281982421875 1031.296875 137.0417022705078 23917.509765625 137.07073974609375 19100.310546875 138.045654296875 549.004638671875 138.07476806640625 1175.65966796875 139.08572387695312 395.26068115234375 140.0501251220703 441.4400329589844 141.04786682128906 3465.7373046875 141.0655059814453 1076.3677978515625 142.0323486328125 7768.0146484375 142.06446838378906 2001.3536376953125 143.03421020507812 388.5859375 143.06890869140625 2007.4547119140625 144.0443115234375 675.3554077148438 144.07032775878906 528.6262817382812 145.0106658935547 203.29786682128906 145.02822875976562 263.2386474609375 145.0493621826172 533.1231689453125 145.07568359375 3897.347900390625 146.01918029785156 803.8911743164062 146.05975341796875 27140.412109375 147.02597045898438 39791.55859375 147.06173706054688 2796.205810546875 148.02980041503906 1507.5687255859375 148.07444763183594 214.7700958251953 148.7447967529297 130.4545440673828 149.0048370361328 260.76055908203125 149.02804565429688 387.1289367675781 149.0721893310547 142.0 150.0377655029297 2346.667236328125 150.1022186279297 182.2449951171875 150.82101440429688 244.81298828125 151.0208282470703 163.8641357421875 152.0200958251953 472.9375 153.04864501953125 650.5014038085938 153.0697021484375 319.20416259765625 154.0303192138672 130.093017578125 155.0628662109375 832.5335083007812 156.04336547851562 851.47119140625 156.06781005859375 1622.0355224609375 156.07943725585938 1023.8682861328125 157.02792358398438 144.24932861328125 157.05191040039062 287.0470886230469 157.07579040527344 3831.9404296875 158.0596923828125 3152.930419921875 158.09567260742188 1467.8983154296875 158.3842010498047 132.36099243164062 159.06752014160156 6498.03662109375 160.0424041748047 15673.755859375 160.1117401123047 858.2530517578125 161.0269775390625 212.33395385742188 161.0448760986328 1161.0889892578125 162.0369110107422 14989.4638671875 162.0848846435547 260.0007629394531 163.02037048339844 367.29119873046875 163.0439910888672 496.40765380859375 164.02488708496094 183.1884002685547 164.05300903320312 7868.13427734375 165.06573486328125 3701.6640625 166.0674591064453 423.2086181640625 167.06590270996094 963.7294921875 168.07122802734375 305.6192626953125 169.04266357421875 1225.33251953125 169.0758056640625 3047.3984375 170.05760192871094 315.02874755859375 170.09487915039062 394.23675537109375 171.01498413085938 220.4278106689453 171.05714416503906 347.7109680175781 171.09115600585938 2488.641845703125 172.0216064453125 1269.9234619140625 172.0626220703125 233.3265838623047 172.11224365234375 268.831787109375 173.02967834472656 8018.6845703125 173.0679473876953 655.01806640625 173.22042846679688 152.08445739746094 174.01248168945312 164.96304321289062 174.03712463378906 8279.197265625 174.0531768798828 4644.5654296875 175.01998901367188 260.63739013671875 175.05691528320312 354.228759765625 176.0533447265625 171.2522430419922 177.04725646972656 583.2150268554688 178.03060913085938 262.58782958984375 179.0786590576172 159.62791442871094 180.08119201660156 555.882568359375 181.08705139160156 270.4462890625 182.0235137939453 258.06561279296875 182.08074951171875 356.2148742675781 182.0946044921875 355.1505126953125 183.0685577392578 158.0498504638672 183.0915069580078 1179.96142578125 184.07565307617188 152.70263671875 185.04672241210938 383.0296936035156 185.07168579101562 1966.208984375 185.10890197753906 408.8370361328125 186.03683471679688 266.7990417480469 186.05001831054688 275.3634033203125 186.0728302001953 174.1058807373047 187.0313720703125 226.0841064453125 187.0530242919922 390.705322265625 188.0178680419922 416.9591979980469 188.06076049804688 234.3802032470703 189.0395965576172 256.0010681152344 190.03204345703125 1389.4852294921875 190.06874084472656 302.4444580078125 191.03985595703125 317.0008850097656 192.0471954345703 917.3983764648438 195.067138671875 144.89346313476562 195.09054565429688 689.3402709960938 196.09864807128906 363.88897705078125 197.10752868652344 493.180419921875 198.08926391601562 331.2515869140625 198.10865783691406 306.0535583496094 199.1221160888672 199.20689392089844 200.01502990722656 299.5089111328125 200.28851318359375 150.84100341796875 201.05848693847656 209.66726684570312 201.11155700683594 201.58790588378906 209.10806274414062 483.99005126953125 209.14706420898438 222.79339599609375 211.12225341796875 150.5372314453125 211.16249084472656 209.69329833984375 214.0680694580078 744.5918579101562 215.06497192382812 167.55172729492188 216.08477783203125 185.4007568359375 218.04029846191406 191.83526611328125 225.1001739501953 152.63314819335938 231.09523010253906 253.55743408203125 235.08702087402344 376.45806884765625 237.09811401367188 156.78179931640625 242.0633087158203 300.2906494140625 261.08184814453125 140.9729766845703 667.4189453125 169.5660400390625 757.0043334960938 237.4049530029297 1179.921875 152.5041961669922 1676.7098388671875 157.20249938964844 1938.7144775390625 158.1365966796875 END IONS BEGIN IONS TITLE=CCMSLIB00005723278 PEPMASS=455.235423 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=20.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_C11_Ribostamycin-sulfate.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Ribostamycin_20eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=NC[C@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O)O)N)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CO)O)N)N INCHI=InChI=1S/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+/m1/s1 INCHIAUX=NSKGQURZWSPSBC-VVPCINPTSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723278 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723278 SCANS=20491 53.97602462768555 30.941177368164062 55.17127990722656 25.10714340209961 56.050235748291016 261.5931396484375 57.93467330932617 89.51219177246094 58.06446838378906 260.5435485839844 59.04804229736328 126.22376251220703 60.043941497802734 597.0347290039062 66.941650390625 47.173912048339844 68.0496597290039 1341.197509765625 68.08536529541016 29.41666603088379 72.04468536376953 383.3388366699219 73.03892517089844 580.81884765625 75.21646881103516 31.22282600402832 78.12701416015625 23.765625 80.04962921142578 2254.147705078125 80.09747314453125 27.034090042114258 80.37984466552734 41.52083206176758 81.03295135498047 236.27981567382812 81.0525131225586 214.24490356445312 82.06478118896484 303.7685241699219 83.01123809814453 96.24393463134766 83.05992126464844 191.57444763183594 84.04426574707031 722.5444946289062 85.02955627441406 591.4196166992188 85.04055786132812 263.2403869628906 86.05874633789062 157.43919372558594 88.57093048095703 48.36007308959961 90.0541763305664 39.46106719970703 92.04987335205078 134.8656005859375 95.05938720703125 227.6114044189453 95.46143341064453 38.39130401611328 96.04460906982422 339.626953125 96.40789794921875 56.67499923706055 97.0278091430664 497.370361328125 97.07608032226562 107.33611297607422 97.4325180053711 23.015625 98.059326171875 3728.9853515625 98.09882354736328 51.0 100.03742218017578 245.32432556152344 100.34724426269531 30.68055534362793 102.05457305908203 1407.2484130859375 102.09127044677734 29.454545974731445 102.1574935913086 23.907258987426758 103.0387954711914 54.94117736816406 107.0602035522461 79.625 108.04444122314453 920.8895874023438 108.40559387207031 41.07621765136719 109.0271224975586 413.479736328125 110.05902862548828 420.7285461425781 110.22451782226562 35.15705108642578 110.72098541259766 21.875 114.05457305908203 11397.1474609375 114.10147094726562 105.02045440673828 114.33689880371094 51.78716278076172 114.44601440429688 56.693965911865234 114.59874725341797 27.77822494506836 115.03865051269531 269.74578857421875 115.05699157714844 304.69281005859375 121.0750732421875 264.7929382324219 122.30781555175781 52.0 124.03917694091797 233.20794677734375 124.06143951416016 108.22132873535156 125.0704116821289 2615.67138671875 126.05419921875 757.4702758789062 126.35808563232422 52.08333206176758 127.08633422851562 120.7409439086914 128.0690460205078 245.14999389648438 129.0620574951172 111.73015594482422 132.06497192382812 727.1874389648438 133.04922485351562 411.06121826171875 137.06951904296875 259.48760986328125 137.0921630859375 30.875 140.07089233398438 150.04457092285156 143.08119201660156 8664.8583984375 143.12684631347656 74.1008071899414 143.2369842529297 21.004310607910156 143.30349731445312 44.23147964477539 143.3737335205078 46.235294342041016 144.0653533935547 2116.011962890625 144.11105346679688 25.115739822387695 144.3820343017578 47.86206817626953 145.0973663330078 2780.330078125 145.1425323486328 36.23546600341797 146.0798797607422 283.4491271972656 146.69454956054688 30.428571701049805 148.05850219726562 77.25714111328125 149.06771850585938 31.22222137451172 150.07418823242188 72.00657653808594 151.08567810058594 199.44859313964844 154.14266967773438 36.034481048583984 155.08082580566406 107.03148651123047 156.06285095214844 81.61016845703125 157.1581573486328 43.9113655090332 160.0958709716797 210.53363037109375 160.18643188476562 30.59558868408203 161.0592803955078 189.1884002685547 161.09201049804688 70964.453125 161.36473083496094 34.0184440612793 161.39559936523438 41.0 161.41583251953125 24.40833282470703 161.45913696289062 62.38815689086914 161.52781677246094 74.0816650390625 161.5608367919922 109.72093200683594 161.58355712890625 43.003204345703125 161.60826110839844 74.9756088256836 161.65599060058594 35.08012771606445 161.75376892089844 51.0 161.83999633789062 50.67045593261719 162.03379821777344 54.39112854003906 162.0508575439453 70.29025268554688 162.07452392578125 185.78369140625 162.0950164794922 2705.9833984375 162.13328552246094 79.24324035644531 162.3000946044922 68.93965148925781 162.58453369140625 64.67222595214844 162.60719299316406 32.265625 162.84593200683594 60.44444274902344 162.98072814941406 32.266666412353516 163.0101776123047 73.51923370361328 163.10784912109375 193325.703125 163.53114318847656 183.6864013671875 163.5748748779297 69.70104217529297 163.59243774414062 43.050575256347656 163.63229370117188 41.41086959838867 163.6745147705078 84.44000244140625 163.70657348632812 76.0 163.72598266601562 63.760135650634766 163.80557250976562 44.72058868408203 163.83583068847656 101.57499694824219 163.87477111816406 69.86206817626953 163.91612243652344 52.125 163.94955444335938 21.55681800842285 163.97268676757812 29.670454025268555 164.07119750976562 89.1551742553711 164.11045837402344 4358.06103515625 164.19796752929688 45.6371955871582 164.2405548095703 35.6128044128418 164.4521484375 31.480262756347656 164.5284423828125 37.625 164.55630493164062 54.0184440612793 164.61497497558594 27.77822494506836 164.7167205810547 35.11136245727539 165.0957794189453 25.41666603088379 165.49351501464844 41.266666412353516 166.77484130859375 31.939516067504883 167.07981872558594 255.41159057617188 168.0642852783203 153.7781219482422 169.03604125976562 33.05921173095703 169.09548950195312 361.0014343261719 171.11131286621094 231.0413818359375 173.09197998046875 1101.580810546875 174.07217407226562 100.28153991699219 174.08741760253906 237.0050048828125 176.11109924316406 165.16554260253906 185.0909881591797 196.47756958007812 186.07296752929688 26.11842155456543 186.13180541992188 24.396739959716797 187.10679626464844 1791.8753662109375 192.08169555664062 204.11538696289062 192.45645141601562 70.67308044433594 194.08108520507812 185.43951416015625 199.1072540283203 154.87640380859375 200.11199951171875 126.10775756835938 203.10227966308594 2906.5791015625 203.1403350830078 54.44643020629883 203.31784057617188 25.185606002807617 203.3678741455078 30.489864349365234 203.61492919921875 25.30769157409668 204.0647430419922 191.8846893310547 204.1077880859375 61.266510009765625 205.11822509765625 5440.5654296875 205.1839599609375 46.55147171020508 205.3131866455078 47.08654022216797 206.07870483398438 31.69444465637207 206.12237548828125 152.16171264648438 209.09201049804688 39.69565200805664 210.07855224609375 141.2449188232422 216.0873565673828 186.85975646972656 217.11764526367188 216.31008911132812 222.07537841796875 265.125 223.10238647460938 20.782407760620117 227.10382080078125 101.05833435058594 228.0842742919922 108.98770141601562 229.11663818359375 274.4285583496094 235.10702514648438 168.2359619140625 235.12820434570312 219.27684020996094 239.10208129882812 980.1158447265625 239.5300750732422 42.727272033691406 239.98147583007812 39.0 240.08897399902344 64.01041412353516 240.13531494140625 57.20000076293945 240.352783203125 23.285715103149414 240.85374450683594 25.487903594970703 241.118408203125 1489.19140625 241.1642608642578 27.78125 242.10020446777344 52.001583099365234 248.72576904296875 69.01293182373047 252.13192749023438 141.2083282470703 253.11541748046875 164.04937744140625 257.1120300292969 2076.414306640625 257.1753234863281 32.0113639831543 258.0943908691406 78.29032135009766 258.11669921875 165.9014129638672 259.1286315917969 3649.069580078125 259.1852722167969 38.360294342041016 260.1297607421875 67.0625 262.1273193359375 133.0376434326172 270.1435546875 1716.7401123046875 270.2283630371094 25.0 271.12353515625 264.5789489746094 271.1461181640625 170.3125 275.1230163574219 1603.6181640625 275.3273010253906 39.6363639831543 276.0488586425781 53.33333206176758 276.11114501953125 259.2608337402344 277.1391296386719 5727.15185546875 277.21124267578125 50.449073791503906 277.2315368652344 27.297618865966797 277.42236328125 95.41522979736328 277.54547119140625 35.841217041015625 277.7927551269531 20.782407760620117 277.838623046875 28.094696044921875 277.90618896484375 30.600000381469727 278.0068359375 26.266666412353516 278.14263916015625 676.6257934570312 278.83050537109375 21.33333396911621 278.9745788574219 22.00337791442871 280.8627624511719 23.446428298950195 288.1561584472656 2189.011962890625 289.1345520019531 44.08333206176758 292.11846923828125 22.230770111083984 293.1343078613281 6607.26416015625 293.2148742675781 33.80500030517578 293.4306945800781 22.0049991607666 293.5199279785156 35.0024528503418 293.55621337890625 56.6173095703125 293.63873291015625 43.20000076293945 294.13958740234375 29.11111068725586 294.43218994140625 34.46283721923828 294.536865234375 60.880435943603516 294.65191650390625 127.56204986572266 294.72503662109375 121.72428894042969 295.14990234375 62367.953125 295.5203552246094 111.52355194091797 295.57470703125 51.27364730834961 295.62969970703125 60.05356979370117 295.6714172363281 55.16071319580078 295.7038879394531 114.00198364257812 295.7552185058594 35.04941940307617 295.78546142578125 76.43289184570312 295.838623046875 127.73500061035156 295.8807373046875 22.604999542236328 295.974853515625 24.005952835083008 296.0500183105469 61.680084228515625 296.1198425292969 173.18153381347656 296.15289306640625 4140.1240234375 296.2226257324219 65.44499969482422 296.2630920410156 21.604999542236328 296.4485778808594 55.33333206176758 296.5270080566406 67.4391860961914 296.65753173828125 20.132352828979492 296.7094421386719 68.93882751464844 296.9228820800781 27.449073791503906 297.1602783203125 25.0 298.0227355957031 41.32143020629883 298.1383972167969 120.375 300.4925842285156 24.20833396911621 303.11993408203125 22.33333396911621 304.8501281738281 48.0113639831543 305.1343994140625 365.4406433105469 305.1845703125 123.33333587646484 305.28546142578125 60.668479919433594 306.1659240722656 956.8863525390625 307.1470642089844 174.4336700439453 312.884521484375 30.15705108642578 319.14947509765625 1246.6737060546875 322.3404541015625 24.066667556762695 323.1922607421875 7841.13720703125 323.28289794921875 80.80172729492188 323.4331359863281 42.14285659790039 323.4695739746094 29.0 323.5529479980469 29.5625 323.58770751953125 63.10714340209961 323.6882019042969 20.266666412353516 324.1753845214844 85.0625 324.1943054199219 408.9007873535156 325.1360778808594 86.8977279663086 325.7723083496094 32.51250076293945 326.9154052734375 96.78096008300781 327.85791015625 80.22611999511719 330.16583251953125 33.005950927734375 330.7926025390625 40.13031768798828 331.1706848144531 242.68173217773438 333.8945007324219 23.45833396911621 336.17620849609375 61.02045440673828 347.11285400390625 27.351743698120117 348.1553039550781 182.0 349.1788635253906 213.89352416992188 365.2039489746094 124.9602279663086 372.1791687011719 60.003379821777344 373.1592712402344 124.14925384521484 373.5201416015625 39.328948974609375 377.4117126464844 255.4495391845703 378.7420654296875 24.322368621826172 383.1923828125 64.00198364257812 384.1783447265625 301.6763916015625 391.1662902832031 135.00787353515625 394.6984558105469 104.5434799194336 396.8418884277344 265.59033203125 401.20343017578125 61.77857208251953 402.185791015625 500.9803161621094 403.1676025390625 119.93031311035156 403.19195556640625 268.68182373046875 405.7940673828125 183.3477020263672 410.1683349609375 85.06304931640625 411.61053466796875 84.17361450195312 418.6295166015625 60.088768005371094 419.213623046875 852.5973510742188 419.4822998046875 22.41666603088379 419.7454833984375 38.01388931274414 420.065673828125 43.0 420.19830322265625 1366.1258544921875 421.2008972167969 227.90638732910156 437.2237854003906 731.8185424804688 438.2085876464844 1585.3272705078125 438.489990234375 23.15705108642578 438.54071044921875 22.008333206176758 439.2062683105469 123.84181213378906 454.6859436035156 39.094696044921875 455.0028076171875 20.075000762939453 455.1702575683594 104.1361083984375 455.23480224609375 18771.5078125 455.4329528808594 20.019229888916016 455.56634521484375 21.02083396911621 455.67047119140625 48.24137878417969 455.7623291015625 39.51250076293945 455.7989196777344 48.36111068725586 455.834228515625 86.54729461669922 456.070068359375 20.322368621826172 456.2379150390625 868.044921875 456.2795715332031 96.7272720336914 466.0845642089844 26.100000381469727 469.3057861328125 40.33333206176758 488.8399658203125 33.603572845458984 586.9395141601562 20.363636016845703 591.5588989257812 38.10745620727539 595.8071899414062 20.14285659790039 602.3421020507812 38.26041793823242 632.9080810546875 76.81395721435547 672.6112670898438 89.29032135009766 673.5927734375 44.04999923706055 740.3930053710938 35.28409194946289 747.156982421875 30.11556625366211 787.6512451171875 27.066667556762695 850.2525634765625 22.59558868408203 1129.3128662109375 35.44643020629883 1179.82275390625 25.570945739746094 1223.6728515625 26.657608032226562 1227.4520263671875 43.165321350097656 1237.0849609375 26.88888931274414 1285.99755859375 67.07954406738281 1297.1546630859375 40.786766052246094 1297.6676025390625 35.6363639831543 1306.8018798828125 20.375 1333.0301513671875 60.77640914916992 1351.3599853515625 69.86428833007812 1389.6177978515625 29.219594955444336 1402.89111328125 25.004629135131836 1450.791748046875 26.803571701049805 1509.0599365234375 78.5952377319336 1544.4862060546875 98.65454864501953 1638.1435546875 37.6363639831543 1830.236572265625 45.00893020629883 1896.75927734375 68.27841186523438 END IONS BEGIN IONS TITLE=CCMSLIB00005723279 PEPMASS=455.235423 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=40.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_C11_Ribostamycin-sulfate.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Ribostamycin_40eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=NC[C@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O)O)N)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CO)O)N)N INCHI=InChI=1S/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+/m1/s1 INCHIAUX=NSKGQURZWSPSBC-VVPCINPTSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723279 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723279 SCANS=20823 53.0383415222168 134.56517028808594 53.59897994995117 16.440217971801758 55.01774597167969 1874.0345458984375 55.05455017089844 812.9454345703125 55.0836181640625 21.022727966308594 55.310646057128906 11.009614944458008 56.02238464355469 40.625 56.04949188232422 2998.312255859375 56.213069915771484 70.07954406738281 57.03377914428711 3748.684814453125 57.065547943115234 71.890625 57.26181411743164 19.03125 57.313594818115234 20.36111068725586 57.902164459228516 25.235294342041016 58.02903366088867 139.08627319335938 58.06501007080078 413.4332275390625 58.41056823730469 29.45833396911621 59.032352447509766 47.33796310424805 59.0498046875 444.4670104980469 59.08371353149414 11.284090995788574 60.044437408447266 2257.723876953125 60.0864372253418 16.115739822387695 61.02813720703125 700.5568237304688 61.06038284301758 9.083333015441895 62.35509490966797 103.21146392822266 62.824764251708984 73.01000213623047 67.05435180664062 208.10964965820312 68.04959106445312 9713.42578125 68.08086395263672 116.5999984741211 68.2663345336914 42.4375 68.3875503540039 28.016666412353516 68.42190551757812 30.489864349365234 68.4371566772461 14.875 68.8067855834961 43.13793182373047 69.03350830078125 681.1632080078125 69.04419708251953 540.5035400390625 69.25973510742188 25.005952835083008 69.45929718017578 18.0049991607666 69.9928207397461 31.51041603088379 70.06564331054688 805.8211669921875 70.10326385498047 12.25 71.01311492919922 805.1608276367188 71.0494613647461 1106.1849365234375 71.08062744140625 26.0049991607666 71.3471908569336 27.2450008392334 72.04386901855469 1774.0789794921875 72.10604095458984 21.004629135131836 72.11491394042969 13.28125 72.21522521972656 14.5328950881958 73.0285415649414 2334.926025390625 73.0389404296875 2016.799560546875 73.07353210449219 33.28571319580078 73.12793731689453 25.08333396911621 74.06011962890625 501.293701171875 74.54375457763672 54.92091751098633 74.55947875976562 16.225000381469727 75.0403060913086 31.117647171020508 78.03233337402344 173.91847229003906 79.0542221069336 217.7438507080078 80.04930114746094 15830.3759765625 80.14435577392578 19.91847801208496 80.1845474243164 59.10810852050781 80.20939636230469 25.174999237060547 80.24671936035156 32.11556625366211 80.28404998779297 12.164473533630371 80.34217834472656 15.008333206176758 81.033935546875 738.7969970703125 81.05477905273438 742.109130859375 81.09502410888672 21.02777862548828 82.0279769897461 340.1126403808594 82.05181121826172 551.1447143554688 82.0648193359375 2204.805908203125 82.23420715332031 14.086538314819336 82.63452911376953 50.056819915771484 83.01393127441406 415.0034484863281 83.0597915649414 1403.0037841796875 83.10191345214844 14.183823585510254 84.04417419433594 9710.5478515625 84.09300231933594 87.05235290527344 84.4404067993164 22.5625 85.02860260009766 3414.263671875 85.07540893554688 232.3777313232422 85.1246337890625 10.074999809265137 85.16969299316406 53.9869384765625 85.34265899658203 23.765625 85.36830139160156 48.07500076293945 85.52547454833984 30.285715103149414 86.03091430664062 136.2105255126953 86.0599136352539 2364.16943359375 86.09489440917969 34.400001525878906 86.71157836914062 13.595588684082031 87.04354858398438 574.2991943359375 87.07075500488281 13.074999809265137 87.08865356445312 162.79396057128906 88.03899383544922 36.00925827026367 88.07512664794922 57.14244079589844 90.05547332763672 977.1608276367188 90.0841064453125 35.135868072509766 90.57888793945312 27.428571701049805 92.04830169677734 287.90643310546875 92.08216857910156 11.074999809265137 95.04911804199219 77.75757598876953 95.06024169921875 499.9521484375 95.24272918701172 9.625 96.04413604736328 7637.08642578125 96.17232513427734 20.22282600402832 96.26724243164062 12.0 96.28083801269531 25.387821197509766 96.40336608886719 20.011363983154297 97.02837371826172 3697.394287109375 97.04747009277344 657.3350219726562 97.07533264160156 752.3636474609375 97.117431640625 16.125 97.13118743896484 28.487903594970703 97.17903900146484 15.0 97.3879623413086 19.197580337524414 98.05989074707031 11133.6455078125 98.10478210449219 140.81666564941406 98.22241973876953 34.005001068115234 98.29145812988281 93.5999984741211 98.36840057373047 17.40833282470703 98.4527587890625 12.024999618530273 98.54844665527344 79.46939086914062 98.56690979003906 21.25 98.70140838623047 24.071428298950195 98.71187591552734 29.125 99.05925750732422 331.20001220703125 99.1089096069336 10.027777671813965 99.33373260498047 9.074999809265137 99.45549011230469 27.66666603088379 100.03907775878906 1108.9173583984375 100.06036376953125 220.2118377685547 100.07455444335938 216.85000610351562 100.73580169677734 37.13306427001953 101.04035949707031 49.00714111328125 101.07100677490234 148.5372314453125 101.9042739868164 29.125 102.05471801757812 17554.958984375 102.1004638671875 251.97329711914062 102.13851165771484 18.674999237060547 102.1702651977539 35.69230651855469 102.2129898071289 13.0054349899292 102.2550048828125 27.375 102.3047866821289 52.16071319580078 102.31534576416016 93.33333587646484 102.38487243652344 17.28125 102.51795959472656 11.347222328186035 102.70008850097656 21.163461685180664 102.9832763671875 17.019229888916016 103.0379409790039 251.0430908203125 103.06156921386719 402.45184326171875 103.12117004394531 10.024999618530273 103.23009490966797 9.0 105.05632781982422 83.11126708984375 106.06371307373047 97.90674591064453 107.05948638916016 791.6006469726562 107.10794830322266 17.115739822387695 108.04429626464844 4511.56640625 108.6550064086914 30.1358699798584 108.76889038085938 79.8062515258789 109.02871704101562 574.044677734375 109.04606628417969 151.56829833984375 109.0758056640625 1427.1943359375 109.11689758300781 11.800000190734863 109.1340560913086 60.882354736328125 109.31993103027344 38.444766998291016 110.02887725830078 114.8499984741211 110.05976104736328 4508.31396484375 110.10047149658203 54.209999084472656 110.46281433105469 10.5625 110.9040756225586 88.04255676269531 111.04300689697266 108.7042236328125 111.05780029296875 40.14881134033203 112.04493713378906 174.37118530273438 112.07425689697266 438.5675354003906 113.76713562011719 83.54579162597656 114.0338363647461 21.02777862548828 114.05487060546875 44885.6875 114.21640014648438 22.363636016845703 114.24687194824219 48.77941131591797 114.26604461669922 30.339284896850586 114.28117370605469 50.14285659790039 114.316162109375 59.63377380371094 114.33265686035156 56.18560791015625 114.45186614990234 59.556819915771484 114.50068664550781 84.00833129882812 114.59068298339844 40.14814758300781 114.70628356933594 94.66666412353516 114.77088165283203 58.53845977783203 114.91879272460938 212.3057861328125 115.03868103027344 1240.2142333984375 115.05731964111328 769.8035888671875 115.0967788696289 36.002777099609375 115.22699737548828 57.06944274902344 115.28687286376953 27.045000076293945 115.40482330322266 47.32012176513672 115.44722747802734 39.44643020629883 115.95063018798828 30.625 116.07083892822266 1074.1683349609375 116.74340057373047 28.893518447875977 116.84310913085938 35.125 117.05540466308594 123.625 117.07195281982422 74.14260864257812 117.65149688720703 26.028846740722656 118.05088806152344 67.15576934814453 119.13639068603516 21.41666603088379 120.0444107055664 114.29878234863281 120.07989501953125 81.80000305175781 121.07582092285156 308.3324279785156 122.06122589111328 295.17919921875 123.03384399414062 49.80644989013672 123.51189422607422 69.90222930908203 124.03337860107422 42.02122497558594 124.07777404785156 357.3214416503906 124.11988067626953 11.225000381469727 124.31198120117188 39.09375 125.04240417480469 227.24508666992188 125.07046508789062 6848.20458984375 125.21258544921875 51.41666793823242 125.22737121582031 13.035714149475098 125.28502655029297 26.102272033691406 125.35218048095703 44.266510009765625 125.8419418334961 19.844999313354492 126.05438232421875 3985.9189453125 126.09758758544922 35.16071319580078 126.17341613769531 28.047618865966797 126.22579193115234 26.645000457763672 126.25534057617188 21.01785659790039 126.28265380859375 24.328947067260742 126.55677032470703 32.23214340209961 126.71813201904297 11.875 127.05341339111328 92.98279571533203 127.08696746826172 465.7784423828125 127.13868713378906 12.005952835083008 128.07005310058594 3771.380126953125 128.27276611328125 28.0 128.3632354736328 11.066176414489746 129.0726318359375 290.0633850097656 129.10203552246094 215.125 131.08023071289062 16.322368621826172 132.06552124023438 1527.1165771484375 132.11138916015625 14.284090995788574 132.13595581054688 18.034090042114258 133.04888916015625 1172.607177734375 133.07196044921875 187.04124450683594 133.0972137451172 14.800000190734863 133.1691131591797 52.08333206176758 134.06060791015625 636.7608032226562 134.11532592773438 22.0 135.0546112060547 150.32533264160156 135.0780029296875 16.024999618530273 136.0389404296875 155.5918426513672 136.0758056640625 265.8999938964844 137.06686401367188 23.34722137451172 137.2946319580078 9.008333206176758 138.06613159179688 234.2984619140625 138.10110473632812 15.595588684082031 138.81649780273438 29.799999237060547 139.08580017089844 206.7659454345703 140.07022094726562 670.740966796875 140.2195281982422 11.571428298950195 141.0353546142578 116.76056671142578 143.0811309814453 9939.1923828125 143.13583374023438 84.19876861572266 143.3658447265625 14.024999618530273 143.389404296875 32.57065200805664 143.5751495361328 128.25587463378906 143.61126708984375 34.00227355957031 143.68678283691406 40.44565200805664 143.7361297607422 30.016666412353516 143.88233947753906 44.266510009765625 144.0657958984375 3874.50732421875 144.25282287597656 14.024999618530273 144.7207794189453 36.011905670166016 144.82058715820312 10.074999809265137 145.07093811035156 163.85467529296875 145.0970916748047 16892.9765625 145.21432495117188 16.0 145.26805114746094 12.28125 145.4315643310547 47.04009246826172 145.47740173339844 11.035714149475098 145.5061798095703 39.765625 145.51646423339844 19.285715103149414 145.7162322998047 19.005952835083008 145.7581787109375 34.08695602416992 146.0568389892578 76.44971466064453 146.08152770996094 2998.69677734375 146.6028594970703 24.671297073364258 147.07618713378906 200.9037628173828 147.13015747070312 10.625 148.19985961914062 28.0 149.07142639160156 76.2853775024414 149.43209838867188 56.431121826171875 150.05418395996094 75.78048706054688 150.09078979492188 78.1910400390625 151.08676147460938 879.8308715820312 152.0692596435547 567.37158203125 152.42950439453125 69.0625 153.7808074951172 24.053571701049805 154.0828857421875 255.14035034179688 155.08238220214844 260.45587158203125 155.87457275390625 47.003570556640625 156.06658935546875 184.4556427001953 157.06570434570312 45.80356979370117 158.08131408691406 781.75439453125 158.3704071044922 40.025001525878906 158.64364624023438 12.625 159.07212829589844 97.28260803222656 159.08847045898438 98.44642639160156 160.00457763671875 26.3689022064209 160.0811004638672 308.0 161.0591583251953 80.71428680419922 161.0921630859375 19480.853515625 161.17454528808594 41.4879035949707 161.19891357421875 18.04166603088379 161.23683166503906 19.266666412353516 161.27651977539062 21.30681800842285 161.3383026123047 74.51519012451172 161.4664306640625 23.29166603088379 161.5213623046875 11.125 161.550048828125 15.04891300201416 161.6250762939453 16.1488094329834 161.65158081054688 75.0062484741211 161.69468688964844 75.40833282470703 161.72483825683594 39.57143020629883 161.75759887695312 75.70382690429688 162.0669403076172 32.005001068115234 162.09561157226562 1087.0020751953125 162.15386962890625 17.0 162.28794860839844 15.006579399108887 163.0799560546875 310.1662902832031 163.1077880859375 87799.796875 163.4656982421875 117.00055694580078 163.51083374023438 49.14244079589844 163.57846069335938 18.604999542236328 163.6296844482422 61.288265228271484 163.6732940673828 36.875 163.6847686767578 69.71591186523438 163.74705505371094 48.29656982421875 163.84027099609375 75.65306091308594 163.9015350341797 111.78913879394531 163.9288330078125 24.140625 163.95095825195312 26.600000381469727 164.1102294921875 2525.515869140625 164.16297912597656 58.67045593261719 164.20016479492188 57.20166778564453 164.22738647460938 20.59558868408203 164.25332641601562 13.102272987365723 164.53404235839844 28.0625 164.99314880371094 28.185606002807617 165.06468200683594 22.875 166.57769775390625 39.80263137817383 166.59739685058594 24.005952835083008 167.08021545410156 94.5186767578125 168.06619262695312 186.00833129882812 169.09632873535156 1694.099853515625 169.98130798339844 30.22222137451172 170.08084106445312 1103.83056640625 170.1443328857422 14.100000381469727 170.90159606933594 12.053571701049805 171.0906524658203 27.149999618530273 171.1112060546875 168.36764526367188 172.85926818847656 57.98892593383789 173.0701446533203 256.7685241699219 173.0919952392578 5042.10546875 173.14500427246094 43.06666564941406 173.3257598876953 56.57857131958008 173.4897918701172 46.0 174.0740509033203 208.843017578125 174.0936737060547 243.92857360839844 175.10723876953125 711.3870849609375 178.0851593017578 136.97784423828125 180.06478881835938 270.6071472167969 182.07757568359375 181.48648071289062 184.0836639404297 34.08333206176758 185.0895233154297 61.5625 185.4246826171875 55.32500076293945 185.883544921875 12.024999618530273 185.9640350341797 27.072673797607422 186.07749938964844 365.3143310546875 186.09823608398438 247.12020874023438 186.13929748535156 12.125 186.4249267578125 44.25798034667969 186.5992431640625 57.18939208984375 186.69400024414062 35.136112213134766 187.10763549804688 4645.16357421875 187.1593475341797 62.099998474121094 187.24960327148438 19.440217971801758 187.29705810546875 43.03125 187.4207763671875 19.009614944458008 187.68218994140625 18.019229888916016 188.0596923828125 20.720237731933594 188.10693359375 212.36538696289062 192.06539916992188 166.50299072265625 193.096435546875 157.0007781982422 194.07879638671875 244.35208129882812 194.28024291992188 22.007352828979492 195.07501220703125 99.25 196.99838256835938 72.14224243164062 197.0876007080078 77.35601043701172 198.07432556152344 245.08489990234375 198.80641174316406 265.125 199.1064453125 27.125 200.0911102294922 95.93965148925781 202.10409545898438 63.875 203.05096435546875 61.440067291259766 203.10047912597656 402.0868835449219 203.16310119628906 10.160714149475098 205.09613037109375 155.01353454589844 205.11715698242188 2185.3310546875 205.50228881835938 30.06944465637207 206.12063598632812 83.55709838867188 209.0928192138672 206.6666717529297 210.07363891601562 78.14204406738281 211.10723876953125 599.562744140625 211.16651916503906 9.160714149475098 212.0901336669922 162.19668579101562 213.11900329589844 118.875 213.8879852294922 21.78125 214.19412231445312 9.0 214.70144653320312 13.77884578704834 215.0560760498047 260.51251220703125 215.1006622314453 224.53334045410156 216.09170532226562 28.024999618530273 217.1161346435547 153.00099182128906 222.095947265625 199.89306640625 223.10482788085938 190.24705505371094 227.0986328125 84.75 228.084228515625 298.125 228.13462829589844 55.04166793823242 229.11854553222656 367.36572265625 229.47915649414062 50.281978607177734 230.10142517089844 34.04166793823242 235.10684204101562 204.01353454589844 236.89817810058594 24.72844886779785 239.10302734375 56.81666564941406 240.08767700195312 100.90131378173828 240.1028594970703 250.72189331054688 240.13243103027344 116.08626556396484 241.09091186523438 58.0 241.11764526367188 2665.75732421875 241.18582153320312 29.68145179748535 242.1164093017578 29.173913955688477 242.46774291992188 20.41666603088379 244.1199951171875 80.58173370361328 245.90191650390625 40.72058868408203 252.13330078125 303.0105285644531 252.66734313964844 13.25 253.11842346191406 619.9881591796875 253.20358276367188 14.005000114440918 257.10858154296875 65.26080322265625 258.84722900390625 14.892857551574707 259.1012878417969 23.5 259.1279296875 2979.1728515625 259.1943359375 18.086538314819336 259.2242431640625 23.59558868408203 259.441162109375 32.880435943603516 259.4635314941406 26.052631378173828 260.1072692871094 31.100608825683594 263.03912353515625 26.265625 264.12921142578125 144.79017639160156 266.9099426269531 50.960105895996094 269.09832763671875 42.852272033691406 270.1430969238281 577.0023193359375 270.8223571777344 12.25 271.1039733886719 16.008333206176758 271.1263122558594 345.3910827636719 272.7541198730469 228.9338836669922 275.12298583984375 105.46428680419922 276.11676025390625 42.025001525878906 277.1392822265625 649.3587646484375 277.3686828613281 32.33333206176758 283.12664794921875 234.25 285.7378845214844 67.47669219970703 287.146484375 164.10252380371094 287.187744140625 16.78125 287.8882751464844 119.65306091308594 288.1548767089844 592.29248046875 295.1497802734375 353.78271484375 296.3172912597656 20.81818199157715 305.134765625 671.36083984375 305.1819763183594 18.08333396911621 305.84661865234375 9.5625 310.8074645996094 172.62229919433594 310.85858154296875 10.125 312.3836669921875 81.5332260131836 320.0882873535156 19.113636016845703 327.9834899902344 71.33487701416016 332.8969421386719 10.446428298950195 340.13519287109375 27.226852416992188 343.1778259277344 112.0051040649414 345.76202392578125 28.14244270324707 347.06756591796875 31.802778244018555 347.4305419921875 56.25 349.144775390625 50.625 351.6366271972656 20.52083396911621 351.7237243652344 166.26744079589844 355.4432373046875 31.102272033691406 356.1539306640625 92.08189392089844 360.72418212890625 20.125 369.8663330078125 195.8228759765625 383.2604064941406 35.00925827026367 395.57177734375 17.66666603088379 397.62945556640625 98.14405059814453 404.84063720703125 29.002450942993164 422.0614318847656 55.15668869018555 493.40191650390625 57.18918991088867 505.5384826660156 20.090909957885742 572.7205810546875 48.793479919433594 612.4921264648438 33.005001068115234 625.8067626953125 14.03125 628.35498046875 13.102272987365723 656.4561157226562 187.2670135498047 658.0397338867188 37.925926208496094 671.3611450195312 56.720237731933594 688.13671875 33.0113639831543 697.34912109375 44.681602478027344 706.2162475585938 16.01785659790039 727.8162841796875 18.100000381469727 765.2999877929688 14.291666984558105 768.2772216796875 41.280174255371094 786.4625854492188 22.26630401611328 787.3491821289062 35.884803771972656 795.0856323242188 14.69444465637207 804.2269897460938 9.0 812.6587524414062 13.009614944458008 856.0230712890625 41.45564651489258 901.3782958984375 14.285714149475098 911.5401000976562 44.681819915771484 972.6425170898438 21.30681800842285 1016.5336303710938 47.266510009765625 1032.3251953125 23.0 1075.0428466796875 32.02083206176758 1086.13818359375 70.00147247314453 1098.4527587890625 25.0 1103.7880859375 32.51250076293945 1130.04931640625 19.285715103149414 1160.634033203125 15.920454978942871 1176.581298828125 31.413461685180664 1228.7198486328125 27.100000381469727 1237.157470703125 20.48214340209961 1238.4449462890625 12.041666984558105 1287.135986328125 22.1488094329834 1345.03759765625 27.285715103149414 1350.9019775390625 11.03125 1379.4873046875 36.431121826171875 1451.3917236328125 27.326923370361328 1632.6658935546875 50.00227355957031 1632.869384765625 11.0 1676.156494140625 29.785715103149414 1687.67431640625 19.844999313354492 1697.0447998046875 18.01785659790039 1726.42626953125 9.556818008422852 1908.92236328125 40.17287063598633 1926.6121826171875 33.882354736328125 END IONS BEGIN IONS TITLE=CCMSLIB00005723280 PEPMASS=455.235423 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=50.0 SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=d1c9707f665a4ae69020e1623ec66478/M24054_C11_Ribostamycin-sulfate.mzXML SEQ=*..* IONMODE=Positive ORGANISM=UM-NPDC NAME=Ribostamycin_50eV [M+H]+ PI=Ashootosh Tripathi (UM-NPDC) DATACOLLECTOR=Osama G. Mohamed SMILES=NC[C@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O)O)N)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CO)O)N)N INCHI=InChI=1S/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+/m1/s1 INCHIAUX=NSKGQURZWSPSBC-VVPCINPTSA-N PUBMED=N/A SUBMITUSER=mpanitchpakdi LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00005723280 USI=mzspec:GNPS:UM-NPDC:accession:CCMSLIB00005723280 SCANS=21155 51.02330017089844 264.25714111328125 51.05206298828125 6.083333492279053 51.93950271606445 89.1191177368164 53.038909912109375 1743.005126953125 54.03366470336914 111.88908386230469 55.01784896850586 2657.4736328125 55.05440902709961 1319.0623779296875 55.08877182006836 27.34722137451172 55.15436935424805 34.515625 55.313228607177734 14.008333206176758 55.326141357421875 32.375 56.05038070678711 5298.40771484375 56.08076095581055 106.24038696289062 56.098514556884766 20.032142639160156 56.15746307373047 11.800000190734863 57.0339241027832 4459.2822265625 57.052371978759766 538.0068359375 57.083316802978516 17.0592098236084 57.1496696472168 11.77884578704834 57.48279571533203 6.4464287757873535 58.029109954833984 317.0325622558594 58.035247802734375 284.9630432128906 58.05069351196289 118.60416412353516 58.06539535522461 877.7054443359375 58.11183547973633 24.0 58.24367141723633 25.066667556762695 58.35753631591797 5.0 59.02526092529297 27.284090042114258 59.04859924316406 221.91696166992188 60.04479217529297 3655.89306640625 60.081783294677734 49.04941940307617 60.113494873046875 26.560184478759766 60.15106201171875 25.387821197509766 60.68831253051758 46.37061309814453 61.02858352661133 1248.390380859375 61.29568862915039 36.26041793823242 64.80534362792969 47.25714111328125 66.73744201660156 16.899999618530273 67.05401611328125 333.61944580078125 67.09548950195312 9.160714149475098 67.28302001953125 25.0 67.63273620605469 45.08012771606445 68.04978942871094 17521.15234375 68.08671569824219 173.5 68.10289764404297 42.04166793823242 68.11724090576172 17.52083396911621 68.16022491455078 20.004629135131836 68.17171478271484 23.68145179748535 68.19319915771484 9.625 68.20635223388672 92.16447448730469 68.22904205322266 36.57143020629883 68.25111389160156 73.76041412353516 68.26934814453125 14.01388931274414 68.3216552734375 24.225000381469727 68.38739013671875 39.556819915771484 68.49605560302734 31.625 69.03447723388672 3584.37158203125 69.05094909667969 1354.6817626953125 69.102783203125 5.083333492279053 69.11534118652344 37.449466705322266 69.41300201416016 35.0 69.80992126464844 20.132352828979492 70.02877807617188 216.5631103515625 70.03739166259766 229.76744079589844 70.06546020507812 934.2659301757812 70.1177978515625 6.011363506317139 70.15852355957031 50.3828125 70.37967681884766 25.053571701049805 70.67427062988281 44.59558868408203 71.01270294189453 1013.8256225585938 71.0501708984375 1404.609375 71.08252716064453 49.907257080078125 71.09494018554688 21.844999313354492 71.25676727294922 81.5931396484375 71.28585815429688 34.06578826904297 71.38619995117188 15.008333206176758 72.04508972167969 3836.17041015625 72.09748077392578 29.265625 73.02788543701172 1122.54443359375 73.03858947753906 754.12841796875 73.07749938964844 185.125 73.20793151855469 8.68055534362793 73.22197723388672 19.26630401611328 74.06028747558594 474.1976013183594 74.08321380615234 17.005952835083008 74.35350799560547 5.017857074737549 75.04328155517578 78.47206115722656 78.03271484375 137.13851928710938 80.03662109375 196.61602783203125 80.04932403564453 16108.2646484375 80.08363342285156 206.28536987304688 80.11626434326172 11.321428298950195 80.1409912109375 10.066176414489746 80.22732543945312 13.666666984558105 80.24360656738281 37.14285659790039 80.3119888305664 50.01250076293945 80.34317779541016 22.5625 80.36894989013672 34.36742401123047 80.55819702148438 12.050000190734863 80.64849090576172 22.0 80.67953491210938 79.0387954711914 81.0336685180664 666.1039428710938 81.05252838134766 238.93814086914062 81.36410522460938 49.346153259277344 82.02884674072266 603.2876586914062 82.06497192382812 4160.47705078125 82.29398345947266 47.0466423034668 83.01164245605469 260.2843933105469 83.04865264892578 999.1784057617188 83.06024932861328 2999.84716796875 83.94020080566406 55.125 84.04438018798828 15878.873046875 84.112060546875 30.28928565979004 84.56864166259766 83.08333587646484 85.02848052978516 7164.89306640625 85.07599639892578 220.20416259765625 85.11982727050781 7.875 85.13745880126953 77.0 85.29352569580078 41.08695602416992 85.57054901123047 17.004310607910156 86.031005859375 177.16900634765625 86.06011199951172 4311.205078125 86.09812927246094 44.845001220703125 86.3884048461914 7.199999809265137 86.74700927734375 20.41666603088379 86.827880859375 14.045000076293945 87.04376220703125 297.9506530761719 88.03981018066406 149.72189331054688 88.07486724853516 8.284090995788574 89.0709228515625 75.16008758544922 90.05445098876953 554.0167846679688 92.0492935180664 1430.4193115234375 92.0921630859375 24.28928565979004 94.02857208251953 216.00491333007812 94.06318664550781 443.0627746582031 94.09962463378906 10.25 95.04869079589844 132.65333557128906 95.0608139038086 433.6805419921875 95.10552978515625 9.074999809265137 96.04403686523438 11691.8330078125 96.08438110351562 151.40499877929688 96.13097381591797 18.005952835083008 96.22978973388672 38.80277633666992 96.49589538574219 92.62887573242188 97.02831268310547 6310.76513671875 97.07473754882812 396.8375244140625 97.42223358154297 27.112499237060547 97.6179428100586 23.04166603088379 97.83052062988281 23.0 98.03211212158203 189.60345458984375 98.05975341796875 8207.9833984375 98.10004425048828 106.04166412353516 98.1226806640625 32.03333282470703 98.30731964111328 29.5625 98.3598861694336 20.02083396911621 98.37393951416016 45.02045440673828 98.40153503417969 48.242645263671875 98.41871643066406 27.408782958984375 98.48418426513672 13.225000381469727 99.0623550415039 231.25 100.03931427001953 971.14501953125 100.07522583007812 319.61248779296875 100.12093353271484 5.025000095367432 100.48085021972656 9.625 101.50504302978516 61.002193450927734 102.05476379394531 17374.814453125 102.09417724609375 287.16876220703125 102.10853576660156 116.15705108642578 102.1287612915039 12.086538314819336 102.18607330322266 53.202274322509766 102.2308120727539 45.22222137451172 102.26565551757812 6.013888835906982 102.2868881225586 78.39698028564453 102.39913940429688 39.346153259277344 102.49403381347656 5.0 102.53446960449219 20.375 102.55541229248047 35.39112854003906 103.03970336914062 200.00352478027344 103.0528335571289 239.1882781982422 103.09773254394531 7.0625 106.02619171142578 200.42910766601562 106.06494140625 709.125732421875 106.89013671875 111.77822875976562 107.06000518798828 1124.001220703125 107.28880310058594 27.471153259277344 107.40593719482422 7.1022725105285645 108.04412078857422 4865.69775390625 108.12017059326172 9.03125 108.1671142578125 50.0 108.19600677490234 15.053571701049805 108.32969665527344 39.925926208496094 108.51048278808594 28.284090042114258 108.6681137084961 47.20500183105469 109.02714538574219 949.8076171875 109.04631042480469 310.33026123046875 109.07569885253906 1593.2880859375 109.11539459228516 28.01388931274414 109.20246887207031 11.059210777282715 109.40704345703125 13.163461685180664 109.48207092285156 24.72058868408203 110.0600814819336 6376.64208984375 110.1078109741211 74.0452880859375 110.2318115234375 16.0 110.29945373535156 33.53125 110.31475830078125 14.77884578704834 110.3849868774414 9.240385055541992 110.98411560058594 49.03703689575195 111.0446548461914 652.0430908203125 111.06608581542969 534.3017578125 111.11585998535156 20.266666412353516 112.06366729736328 244.25 112.07522583007812 331.0957946777344 112.12067413330078 8.160714149475098 112.34725189208984 16.53125 112.57377624511719 14.022727012634277 113.0483169555664 59.57500076293945 113.07019805908203 221.29080200195312 113.84941864013672 14.449999809265137 114.03531646728516 159.66964721679688 114.05472564697266 40638.3671875 114.22614288330078 93.60166931152344 114.26640319824219 19.225000381469727 114.28223419189453 26.0592098236084 114.30464172363281 41.5113639831543 114.32438659667969 29.164474487304688 114.40120697021484 30.799999237060547 114.43090057373047 32.0 114.46061706542969 30.023935317993164 114.48893737792969 41.224998474121094 114.51946258544922 32.5625 114.53077697753906 97.69605255126953 114.56466674804688 5.017857074737549 114.59696197509766 12.25 114.63529205322266 45.08333206176758 114.6650390625 16.0 114.75801849365234 36.23147964477539 114.7803726196289 34.68597412109375 114.99642181396484 72.29878234863281 115.0387191772461 983.7469482421875 115.05327606201172 694.798095703125 115.16012573242188 55.0914192199707 116.04984283447266 25.34722137451172 116.06987762451172 583.6446533203125 116.27777862548828 32.23214340209961 117.0770034790039 117.84005737304688 118.06702423095703 115.36318969726562 121.07421112060547 311.6714172363281 121.64722442626953 40.028846740722656 122.058837890625 395.96075439453125 122.45284271240234 13.100000381469727 123.05564880371094 124.2318344116211 123.09021759033203 78.33654022216797 123.12236785888672 5.0 124.03787231445312 105.0837631225586 124.0604476928711 58.03955841064453 125.04479217529297 18.26630401611328 125.0704345703125 3521.795166015625 125.11353302001953 39.818180084228516 125.13164520263672 12.446428298950195 125.2469711303711 48.75 125.99467468261719 33.73724365234375 126.05489349365234 2421.555908203125 126.09923553466797 49.81666564941406 126.17176818847656 21.920454025268555 126.25177001953125 28.47058868408203 126.34529876708984 68.73780822753906 126.38023376464844 9.041666984558105 127.05862426757812 177.18373107910156 127.08656311035156 323.8299865722656 127.11753845214844 17.799999237060547 127.96903991699219 146.125 128.0701904296875 3791.473388671875 128.1244354248047 17.40833282470703 128.192626953125 43.003570556640625 129.0526580810547 182.0465087890625 129.07308959960938 107.56818389892578 130.0169677734375 18.014705657958984 131.08001708984375 251.07080078125 131.13197326660156 7.0 132.0644073486328 499.014892578125 132.0766143798828 238.26080322265625 133.05172729492188 167.21469116210938 134.06024169921875 374.6106872558594 134.07986450195312 136.9516143798828 135.45423889160156 10.666666984558105 136.06658935546875 78.01667022705078 138.05479431152344 381.11541748046875 138.07225036621094 514.4014892578125 138.1177520751953 19.005952835083008 139.08621215820312 261.3140563964844 140.0700225830078 378.88916015625 141.06448364257812 360.2783508300781 141.10055541992188 11.041666984558105 141.20912170410156 53.9375 142.08656311035156 91.66944122314453 143.08108520507812 2703.819091796875 143.127685546875 27.125 144.06521606445312 1879.7301025390625 144.2490234375 100.65650939941406 144.7913360595703 61.01388931274414 145.050048828125 127.47169494628906 145.0749969482422 51.21120834350586 145.09707641601562 14977.1171875 145.1631622314453 112.26531982421875 145.66905212402344 14.556818008422852 145.69882202148438 24.81818199157715 145.8126678466797 16.0 146.0594940185547 70.875 146.08152770996094 2738.37548828125 146.1993408203125 5.333333492279053 146.27420043945312 49.003787994384766 146.69033813476562 17.1358699798584 147.014404296875 13.360294342041016 147.08262634277344 252.6992950439453 148.07382202148438 169.55999755859375 149.0681610107422 157.16554260253906 149.1058807373047 8.102272987365723 151.08489990234375 486.90936279296875 151.13958740234375 8.102272987365723 152.06861877441406 228.69728088378906 152.5087432861328 25.076923370361328 152.87347412109375 6.0 153.06674194335938 27.16554069519043 155.07774353027344 195.6423797607422 155.13150024414062 7.125 156.06451416015625 530.9530029296875 157.09532165527344 13.5625 158.05772399902344 74.20166778564453 158.0801544189453 935.0888671875 158.13014221191406 12.009614944458008 158.6961212158203 8.875 161.06971740722656 87.14814758300781 161.09181213378906 3656.158935546875 161.1528778076172 27.094696044921875 161.47579956054688 17.111841201782227 161.5412139892578 38.011905670166016 161.5854949951172 30.727272033691406 161.89321899414062 25.111841201782227 162.0541229248047 79.3345947265625 162.09461975097656 574.67138671875 162.1641082763672 5.0 163.10775756835938 35135.58203125 163.24098205566406 48.439998626708984 163.31248474121094 81.44971466064453 163.3286895751953 60.33333206176758 163.36923217773438 41.556819915771484 163.4141845703125 70.53917694091797 163.43966674804688 28.440217971801758 163.48023986816406 39.03879165649414 163.61282348632812 21.25 163.63108825683594 23.004629135131836 164.069091796875 128.77883911132812 164.10943603515625 737.7647094726562 164.17117309570312 10.68055534362793 164.3136444091797 9.0 164.93080139160156 18.173076629638672 165.06687927246094 144.46969604492188 165.07870483398438 172.42117309570312 165.49755859375 23.52941131591797 168.06646728515625 36.125 168.09051513671875 174.2493896484375 169.0965576171875 300.2800598144531 170.05796813964844 253.91847229003906 170.07931518554688 468.3877868652344 171.08250427246094 129.3913116455078 171.1127471923828 7.25 172.91989135742188 84.615966796875 173.09149169921875 6188.81640625 173.14288330078125 62.010868072509766 173.17433166503906 21.174999237060547 173.20632934570312 8.102272987365723 173.33712768554688 18.446428298950195 173.3617401123047 11.03125 173.43490600585938 28.028846740722656 173.53713989257812 40.786766052246094 173.59500122070312 17.226852416992188 173.7280731201172 27.066667556762695 174.07545471191406 165.24456787109375 174.09461975097656 234.4785919189453 174.21304321289062 66.4102554321289 175.10458374023438 446.66949462890625 175.16786193847656 5.025000095367432 176.07081604003906 77.6465072631836 177.10411071777344 209.992919921875 177.17735290527344 22.11842155456543 179.08261108398438 129.9014129638672 182.07907104492188 77.15522003173828 182.1903533935547 25.107759475708008 186.07203674316406 264.25 186.09841918945312 427.6022644042969 186.15789794921875 14.0 187.0835418701172 54.69190216064453 187.10707092285156 1910.880126953125 187.1591339111328 16.5 187.3190155029297 14.920454978942871 187.36366271972656 22.816667556762695 187.68231201171875 67.85851287841797 190.08462524414062 12.041666984558105 195.07554626464844 143.35531616210938 198.0750274658203 112.64830780029297 199.1073455810547 145.6351318359375 199.24436950683594 70.00568389892578 200.0731201171875 34.01041793823242 200.73159790039062 31.012500762939453 200.80047607421875 43.01041793823242 205.11607360839844 355.3438415527344 206.10279846191406 100.78704071044922 206.24362182617188 23.796052932739258 208.90655517578125 147.07205200195312 210.53538513183594 56.13793182373047 211.10557556152344 151.0738983154297 211.82456970214844 36.43214416503906 214.11724853515625 114.40653228759766 215.2117462158203 23.0 216.0852813720703 210.20458984375 217.094482421875 69.96154022216797 217.49484252929688 7.1022725105285645 221.07420349121094 210.02711486816406 222.07876586914062 147.2544708251953 223.1046905517578 98.76470947265625 224.09078979492188 78.2271499633789 225.89100646972656 30.58333396911621 228.10923767089844 48.04166793823242 229.11898803710938 250.4063720703125 230.09664916992188 13.78125 231.01893615722656 48.6173095703125 231.72653198242188 42.51612854003906 235.107177734375 147.332275390625 240.80728149414062 184.78125 241.11715698242188 521.8003540039062 242.1012725830078 92.15655517578125 243.10813903808594 114.47648620605469 244.13600158691406 31.215425491333008 247.73007202148438 18.30769157409668 252.16586303710938 32.22222137451172 253.11854553222656 321.8356628417969 253.2091064453125 5.013888835906982 253.8178253173828 86.67129516601562 255.80709838867188 102.15254211425781 257.1129150390625 66.61250305175781 259.1306457519531 777.3685913085938 259.2083740234375 5.25 260.11151123046875 109.60147094726562 263.059326171875 49.34722137451172 265.8880615234375 116.32546997070312 267.1526794433594 120.22297668457031 271.12738037109375 319.4063415527344 277.13873291015625 162.39657592773438 280.81640625 240.00588989257812 280.8830871582031 8.125 282.24945068359375 9.035714149475098 284.7280578613281 49.28409194946289 291.7321472167969 87.05232238769531 295.1054992675781 26.66666603088379 301.140869140625 42.25 305.1334533691406 84.90657806396484 306.32843017578125 40.16666793823242 310.2426452636719 26.211206436157227 328.306640625 29.66666603088379 342.1617736816406 109.1500015258789 342.5264587402344 8.125 377.9492492675781 16.440217971801758 383.2912292480469 7.017857074737549 384.95648193359375 57.595340728759766 388.6499328613281 41.27364730834961 394.8077392578125 14.5328950881958 398.6880187988281 125.00337982177734 411.8575744628906 24.266666412353516 439.2538146972656 9.166666984558105 472.8580322265625 32.7613639831543 477.01104736328125 13.78125 489.7135009765625 11.0 495.6172790527344 38.328948974609375 502.7628479003906 47.931339263916016 516.2127685546875 18.75 576.1292114257812 16.019229888916016 589.7023315429688 36.028846740722656 657.0335693359375 28.799999237060547 672.5582275390625 11.009614944458008 709.056640625 49.59375 775.6544189453125 146.76055908203125 842.3011474609375 22.125 878.0840454101562 26.326923370361328 878.9449462890625 28.49127960205078 902.2609252929688 46.0099983215332 916.6913452148438 10.086538314819336 1010.6624145507812 23.14285659790039 1071.425537109375 6.0625 1126.6624755859375 13.041666984558105 1149.8511962890625 13.008333206176758 1159.6201171875 52.469444274902344 1215.367431640625 30.226852416992188 1244.7449951171875 40.90909194946289 1246.8870849609375 22.094696044921875 1268.3140869140625 15.5328950881958 1269.7086181640625 13.666666984558105 1384.13427734375 18.285715103149414 1407.97265625 78.97740936279297 1408.2423095703125 28.009614944458008 1431.6046142578125 6.5 1560.835693359375 23.32661247253418 1605.71337890625 11.571428298950195 1625.468994140625 14.25 1679.0272216796875 62.13224792480469 1701.4678955078125 14.007352828979492 1743.868896484375 60.09789276123047 1745.3770751953125 18.038793563842773 1750.6197509765625 25.56818199157715 1813.1470947265625 8.011363983154297 1835.3197021484375 8.050000190734863 1836.3316650390625 30.266666412353516 1836.9898681640625 22.57065200805664 1921.291748046875 61.897987365722656 1971.5242919921875 38.23546600341797 1974.1715087890625 39.400001525878906 END IONS