BEGIN IONS
TITLE=CCMSLIB00013580751
PEPMASS=291.232
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=1_androstenediol [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
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SPECTRUMID=CCMSLIB00013580751
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580751
SCANS=1
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580752
PEPMASS=287.201
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=1_androstenedione [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
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SPECTRUMID=CCMSLIB00013580752
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276.276611	12.0
278.31369	25.0
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284.752502	11.0
285.343994	19.0
289.223907	12.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580753
PEPMASS=289.216
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=1_testosterone [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O[C@H]1CC[C@]2([H])[C@]1(C)CC[C@@]3([H])[C@@]2([H])CC[C@]4([H])[C@]3(C)C=CC(C4)=O
INCHI=InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,12,14-17,21H,3-6,8,10-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
INCHIAUX=OKJCFMUGMSVJBG-ABEVXSGRSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580753
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580753
SCANS=1
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297.949097	14.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580754
PEPMASS=321.279
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=bolasterone_m [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]3[C@H]2[C@H](C)C[C@@]4([H])[C@]3(C)CC[C@@H](O)C4
INCHI=InChI=1S/C21H36O2/c1-13-11-14-12-15(22)5-8-19(14,2)16-6-9-20(3)17(18(13)16)7-10-21(20,4)23/h13-18,22-23H,5-12H2,1-4H3/t13-,14-,15-,16+,17+,18-,19+,20+,21+/m1/s1
INCHIAUX=ZWQUPIDNCOVROC-HEEAJRSSSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580754
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580754
SCANS=1
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324.157013	12.0
324.655609	11.0
325.779388	10.0
325.882904	10.0
325.952301	10.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580755
PEPMASS=317.247
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=calusterone [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O=C1CC[C@@]2(C)C(C[C@H](C)C3C2CC[C@@]4(C)C3CC[C@]4(C)O)=C1
INCHI=InChI=1S/C21H32O2/c1-13-11-14-12-15(22)5-8-19(14,2)16-6-9-20(3)17(18(13)16)7-10-21(20,4)23/h12-13,16-18,23H,5-11H2,1-4H3/t13-,16?,17?,18?,19-,20-,21-/m0/s1
INCHIAUX=IVFYLRMMHVYGJH-JTRUIORZSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580755
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580755
SCANS=1
80.061203	2600.0
80.130997	150.0
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80.209396	69.0
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223.138504	69.0
229.145004	68.0
237.1604	130.0
239.174896	84.0
241.189407	69.0
241.963104	64.0
251.167999	60.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580757
PEPMASS=335.177
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=dehydrochlormethyltestosterone [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O=C1C=C[C@@]2(C)C(CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@]4(C)O)=C1Cl
INCHI=InChI=1S/C20H27ClO2/c1-18-9-8-16(22)17(21)15(18)5-4-12-13(18)6-10-19(2)14(12)7-11-20(19,3)23/h8-9,12-14,23H,4-7,10-11H2,1-3H3/t12-,13+,14+,18-,19+,20+/m1/s1
INCHIAUX=AGUNEISBPXQOPA-XMUHMHRVSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580757
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580757
SCANS=1
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326.776398	12.0
341.501587	13.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580758
PEPMASS=351.172
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=dehydrochlormethyltestosterone_m [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O=C1C=C[C@@]2(C)C([C@H](O)C[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@]4(C)O)=C1Cl
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PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580758
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580758
SCANS=1
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251.179001	13.0
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255.153	19.0
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262.5289	11.0
267.84491	12.0
269.288788	12.0
269.423096	12.0
269.868408	13.0
277.44101	19.0
296.399292	10.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580759
PEPMASS=305.247
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=drostanolone_m [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O=C1CCC2C3CCC4CC(O)[C@H](C)C[C@]4(C)C3CC[C@@]21C
INCHI=InChI=1S/C20H32O2/c1-12-11-20(3)13(10-17(12)21)4-5-14-15-6-7-18(22)19(15,2)9-8-16(14)20/h12-17,21H,4-11H2,1-3H3/t12-,13?,14?,15?,16?,17?,19+,20+/m1/s1
INCHIAUX=FDGQIVOIHOIMNK-TZAHHXAYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580759
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580759
SCANS=1
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580760
PEPMASS=271.213
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=ethylestrenol_m [M-2H2O+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=C[C@]1(CC2)[C@@H](CC[C@]1(CC)O)[C@H]3[C@H]2[C@@H]4[C@@](CC3)([H])C[C@H](O)CC4
INCHI=InChI=1S/C20H34O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h13-18,21-22H,3-12H2,1-2H3/t13-,14-,15+,16-,17-,18+,19+,20+/m1/s1
INCHIAUX=GUBNWXDDDXQJOQ-VIVHBNLFSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580760
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580760
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580761
PEPMASS=319.207
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=fluoxymesterone_m2 [M+H]+
PI=Mehdi Beniddir
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580762
PEPMASS=347.222
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=formebolone_m [M+H]+
PI=Mehdi Beniddir
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580763
PEPMASS=325.18
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=6a_hydroxy_gestrinone [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O[C@]1(C#C)CCC2C3C[C@H](O)C4=CC(CCC4=C3C=C[C@@]21CC)=O
INCHI=InChI=1S/C21H24O3/c1-3-20-9-7-15-14-6-5-13(22)11-17(14)19(23)12-16(15)18(20)8-10-21(20,24)4-2/h2,7,9,11,16,18-19,23-24H,3,5-6,8,10,12H2,1H3/t16?,18?,19-,20-,21+/m0/s1
INCHIAUX=KQUWZIRAKHNAAC-ZRTAOYRGSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580763
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580763
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580764
PEPMASS=307.263
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
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ORGANISM=AASDB
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DATACOLLECTOR=Anis Elloumi
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INCHIAUX=QGKQXZFZOIQFBI-NSZABGKFSA-N
PUBMED=N/A
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SPECTRUMID=CCMSLIB00013580764
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580764
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580765
PEPMASS=305.247
CHARGE=1
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FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
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PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O=C1C[C@H](C)[C@@]2(C)C(CCC3C2CC[C@@]4(C)C3CC[C@@H]4O)C1
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INCHIAUX=UXYRZJKIQKRJCF-ZRCUWBMESA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580765
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580765
SCANS=1
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580766
PEPMASS=303.232
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=metenolone [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O=C1C=C(C)[C@@]2(C)C(CCC3C2CC[C@@]4(C)C3CC[C@@H]4O)C1
INCHI=InChI=1S/C20H30O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h10,13,15-18,22H,4-9,11H2,1-3H3/t13?,15?,16?,17?,18-,19-,20-/m0/s1
INCHIAUX=ANJQEDFWRSLVBR-SCWDVOOWSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580766
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580766
SCANS=1
80.063103	490.0
80.156403	23.0
80.264999	11.0
80.575302	11.0
80.681503	10.0
80.735397	12.0
80.995399	20.0
81.032799	68.0
81.069702	8000.0
81.147003	280.0
81.182297	96.0
81.2034	56.0
81.224701	46.0
81.276398	27.0
81.346497	49.0
81.388603	17.0
81.421303	16.0
81.457603	14.0
81.508598	22.0
81.535896	37.0
81.577103	26.0
81.598297	15.0
81.643799	18.0
81.697304	16.0
81.742996	20.0
81.769997	13.0
81.808899	15.0
81.864197	14.0
81.887001	10.0
81.948502	33.0
81.974503	14.0
82.040398	49.0
82.074402	130.0
82.1567	12.0
82.238899	19.0
82.310997	10.0
82.480797	10.0
82.496803	13.0
82.601601	15.0
82.769798	30.0
82.900597	12.0
83.049103	10000.0
83.129097	370.0
83.1633	140.0
83.219498	100.0
83.269302	45.0
83.307198	41.0
83.341301	24.0
83.384399	22.0
83.425499	37.0
83.4534	30.0
83.490196	30.0
83.5261	30.0
83.558998	17.0
83.589302	27.0
83.619202	39.0
83.671204	57.0
83.720703	21.0
83.762497	31.0
83.851898	10.0
83.885498	12.0
83.921501	25.0
84.011803	12.0
84.052299	190.0
84.101303	51.0
84.1614	12.0
84.209	12.0
84.266197	10.0
84.286797	12.0
84.329803	24.0
84.361504	10.0
84.462097	10.0
84.568298	10.0
84.733002	33.0
84.786201	13.0
84.929199	12.0
85.062798	310.0
85.151604	23.0
85.189796	14.0
85.531303	11.0
85.733803	12.0
86.150597	10.0
86.359497	16.0
86.568703	11.0
87.429298	10.0
89.045303	48.0
90.048599	29.0
90.069397	16.0
90.223	14.0
90.968102	20.0
91.0541	19000.0
91.140503	640.0
91.164398	260.0
91.186401	140.0
91.227501	160.0
91.260201	120.0
91.304199	76.0
91.389503	74.0
91.438301	110.0
91.463799	57.0
91.490501	58.0
91.5196	92.0
91.550697	76.0
91.587303	41.0
91.627403	28.0
91.652901	41.0
91.680397	39.0
91.737297	55.0
91.779999	20.0
91.813004	34.0
91.835602	26.0
91.881203	13.0
91.912804	42.0
91.956703	12.0
91.984596	51.0
92.058502	560.0
92.128197	19.0
92.141502	15.0
92.200203	30.0
92.231201	16.0
92.315697	19.0
92.3442	14.0
92.372002	24.0
92.389	14.0
92.438499	30.0
92.465401	21.0
92.638199	10.0
92.661003	26.0
92.721298	12.0
92.782799	33.0
92.906601	12.0
92.961899	12.0
92.999802	11.0
93.07	5400.0
93.156998	160.0
93.190804	100.0
93.216301	100.0
93.263901	73.0
93.330299	51.0
93.385201	47.0
93.417603	18.0
93.485199	43.0
93.516296	24.0
93.544601	46.0
93.584297	28.0
93.643898	16.0
93.677101	11.0
93.849297	32.0
93.890999	17.0
93.933296	14.0
93.983498	17.0
94.003098	11.0
94.040703	100.0
94.075401	280.0
94.1633	14.0
94.196098	12.0
94.229698	17.0
94.325798	15.0
94.344498	11.0
94.478996	12.0
94.633797	16.0
94.712601	24.0
94.748199	14.0
94.901604	11.0
94.922401	14.0
95.049698	1200.0
95.084702	4500.0
95.173401	220.0
95.194901	110.0
95.2155	77.0
95.300797	33.0
95.345497	34.0
95.410103	43.0
95.4375	39.0
95.459602	14.0
95.515198	15.0
95.541496	46.0
95.564796	21.0
95.620697	29.0
95.6483	38.0
95.698601	20.0
95.990501	43.0
96.054001	56.0
96.090103	130.0
96.149902	23.0
96.248703	22.0
96.271004	13.0
96.305199	14.0
96.349098	13.0
96.388901	11.0
96.4132	11.0
96.4468	11.0
96.4851	11.0
96.529404	10.0
96.715599	11.0
97.064903	830.0
97.122002	55.0
97.150299	26.0
97.167297	22.0
97.370697	14.0
97.5466	14.0
97.763802	15.0
97.838501	11.0
98.083504	10.0
98.695503	11.0
99.0811	36.0
99.265099	24.0
100.641502	10.0
101.017403	15.0
101.505402	10.0
101.650703	15.0
101.679802	11.0
102.535103	14.0
103.052902	770.0
103.139603	27.0
103.162903	15.0
103.199799	23.0
103.226601	12.0
103.301697	11.0
103.462402	12.0
103.698898	12.0
103.720299	28.0
103.860802	10.0
104.059601	500.0
104.116096	28.0
104.270699	13.0
104.997803	12.0
105.069801	8900.0
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105.1903	120.0
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105.284203	55.0
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105.391701	25.0
105.455002	67.0
105.507896	53.0
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105.647301	51.0
105.691803	13.0
105.742699	28.0
105.824501	18.0
105.868301	20.0
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106.004501	10.0
106.074898	490.0
106.121597	65.0
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106.195	27.0
106.353203	11.0
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107.085999	2800.0
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282.523407	11.0
290.436188	11.0
291.349304	12.0
292.868011	11.0
296.343109	25.0
302.548798	11.0
303.242004	12.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580767
PEPMASS=303.232
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=metenolone_m [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O=C1CCC2C3CCC([C@@]4(C)C3CC[C@@]21C)CC(O)CC4=C
INCHI=InChI=1S/C20H30O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h13-17,21H,1,4-11H2,2-3H3/t13?,14?,15?,16?,17?,19-,20-/m0/s1
INCHIAUX=YSEVFKWFUGTGAQ-QORURNSVSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580767
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580767
SCANS=1
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80.123703	24.0
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81.068298	4700.0
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81.301201	33.0
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81.3573	26.0
81.383202	23.0
81.406601	13.0
81.440697	20.0
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580768
PEPMASS=317.211
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=methandienone_m [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580769
PEPMASS=301.216
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=epimethanedienone [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O=C1C=C[C@@]2(C)C(CCC3C2CC[C@@]4(C)C3CC[C@]4(O)C)=C1
INCHI=InChI=1S/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,12,15-17,22H,4-5,7-8,10-11H2,1-3H3/t15?,16?,17?,18-,19-,20+/m0/s1
INCHIAUX=XWALNWXLMVGSFR-YNCRDBHISA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580769
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580769
SCANS=1
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580770
PEPMASS=299.201
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=methandienone_m3_lt [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=C[C@@]12C(CCC3C2CCC4=C3CC[C@]4(C)CO)=CC(C=C1)=O
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INCHIAUX=GCYZSDGHIVBKJR-AVMZVFHNSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580770
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580770
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580771
PEPMASS=307.263
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=methandriol-m [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=C[C@]1(O)CCC2[C@]1(C)CCC3C2CC[C@@]4([H])[C@]3(C)CC[C@@H](O)C4
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INCHIAUX=QGKQXZFZOIQFBI-DHKHMZCASA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580771
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580771
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271.709412	10.0
273.814209	10.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580772
PEPMASS=321.279
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=methasterone_m [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=C[C@@]12[C@](CCC3C2CC[C@@]4(C)C3CC[C@]4(C)O)([H])C[C@H](O)[C@H](C)C1
INCHI=InChI=1S/C21H36O2/c1-13-12-19(2)14(11-18(13)22)5-6-15-16(19)7-9-20(3)17(15)8-10-21(20,4)23/h13-18,22-23H,5-12H2,1-4H3/t13-,14+,15?,16?,17?,18+,19+,20+,21+/m1/s1
INCHIAUX=GCXGPFZVUODKKF-HQQXKUSQSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580772
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580772
SCANS=1
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287.257385	14.0
288.351898	13.0
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292.431793	11.0
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295.487213	17.0
297.075012	14.0
297.487701	11.0
297.830811	11.0
299.674103	12.0
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300.243591	11.0
300.994293	13.0
301.264496	10.0
302.115997	10.0
303.642303	16.0
303.681213	13.0
304.657288	17.0
305.019897	13.0
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306.946594	10.0
307.457001	12.0
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310.777588	12.0
311.123413	15.0
311.214996	10.0
311.734009	12.0
312.021393	13.0
312.059998	17.0
312.215912	38.0
312.272308	17.0
312.446503	10.0
314.03949	12.0
314.402802	12.0
314.43811	13.0
315.840698	12.0
316.558411	10.0
316.733002	10.0
316.908813	13.0
317.133392	15.0
317.63681	12.0
319.324707	11.0
319.695801	11.0
320.738098	12.0
321.606201	10.0
322.558411	13.0
322.827789	14.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580774
PEPMASS=287.201
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=7_methylnortestosterone_m2 [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O=C1CC2C(CC1)C(CC[C@]34C)[C@@H](C(C)=C2)[C@@H]4CCC3=O
INCHI=InChI=1S/C19H26O2/c1-11-9-12-10-13(20)3-4-14(12)15-7-8-19(2)16(18(11)15)5-6-17(19)21/h9,12,14-16,18H,3-8,10H2,1-2H3/t12?,14?,15?,16-,18+,19-/m0/s1
INCHIAUX=DBLUGCWWXSURJC-ZEMBGDQVSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580774
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580774
SCANS=1
80.061203	280.0
80.115601	16.0
80.134598	15.0
80.155899	10.0
80.2136	16.0
80.233398	11.0
80.316101	10.0
80.353996	10.0
80.590202	10.0
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81.069298	4200.0
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81.218597	56.0
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81.301003	51.0
81.327103	26.0
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81.405098	19.0
81.445702	24.0
81.478401	17.0
81.530899	20.0
81.557701	11.0
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81.705704	17.0
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81.889801	13.0
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82.121803	25.0
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83.093597	44.0
83.115799	10.0
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83.377296	14.0
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83.978104	13.0
84.032799	10.0
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91.368401	34.0
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91.454697	43.0
91.526497	25.0
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91.630096	21.0
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91.685097	14.0
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366.093994	10.0
372.551605	18.0
373.863586	24.0
378.238892	17.0
389.409393	25.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580775
PEPMASS=285.258
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=norbolethone-m1 [M-2H2O+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O[C@@H]1CCC2C(CCC3C2CC[C@@]4(CC)C3CC[C@]4(CC)O)C1
INCHI=InChI=1S/C21H36O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h14-19,22-23H,3-13H2,1-2H3/t14?,15-,16?,17?,18?,19?,20+,21+/m1/s1
INCHIAUX=KQIPRUISTDIUTD-YZHDUQTESA-N
PUBMED=N/A
SUBMITUSER=jzemlin
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580776
PEPMASS=291.195
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=oxabolone [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O[C@H]1CCC2C3CCC4=C(O)C(CCC4C3CC[C@@]21C)=O
INCHI=InChI=1S/C18H26O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h10-12,14,16,20-21H,2-9H2,1H3/t10?,11?,12?,14?,16-,18-/m0/s1
INCHIAUX=GXHBCWCMYVTJOW-DNBWYCQVSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580776
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580776
SCANS=1
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278.575287	15.0
286.203094	12.0
288.744293	14.0
289.553009	28.0
289.871796	10.0
294.277893	12.0
296.935211	15.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580777
PEPMASS=305.211
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=oxandrolone_m3 [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=C[C@@]12[C@](CCC3C2CCC4=C3CC[C@]4(CO)C)([H])CC(OC1)=O
INCHI=InChI=1S/C19H28O3/c1-18(10-20)8-7-14-13-4-3-12-9-17(21)22-11-19(12,2)16(13)6-5-15(14)18/h12-13,16,20H,3-11H2,1-2H3/t12-,13?,16?,18-,19-/m0/s1
INCHIAUX=CCCXHTHETXUUDU-ARGSZDFHSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580777
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580777
SCANS=1
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308.868286	10.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580781
PEPMASS=329.222
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=prostanozol_3'OH [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=C[C@@]12[C@](CCC3C2CC[C@@]4(C)C3CCC4=O)([H])CC5=NNC(O)=C5C1
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INCHIAUX=IBVOKGNUOPSVJY-SMNWAGIPSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580781
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580781
SCANS=1
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331.958801	14.0
332.436615	21.0
332.790802	16.0
333.187897	14.0
333.630096	12.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580782
PEPMASS=289.216
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=quinbolone_m [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=C[C@]12C=C[C@@H](O)C[C@@]1([H])CCC3C2CC[C@@]4(C)C3CCC4=O
INCHI=InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,12-16,20H,3-6,8,10-11H2,1-2H3/t12-,13-,14?,15?,16?,18+,19+/m1/s1
INCHIAUX=DYMROBVXGSLPAY-ZQSLQREJSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580782
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580782
SCANS=1
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289.166901	11.0
289.587891	11.0
289.755615	13.0
289.961609	16.0
290.090515	16.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580783
PEPMASS=329.259
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=stanozolol [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=C[C@](O)(CC1)[C@@]2(C)[C@@H]1[C@H](CC[C@@H]3[C@]4(C)CC5=CNN=C5C3)[C@@H]4CC2
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INCHIAUX=LKAJKIOFIWVMDJ-QOJGXCKPSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580783
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580783
SCANS=1
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580784
PEPMASS=345.254
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=stanozolol_16bOH [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=C[C@](O)([C@@H](O)C1)[C@@]2(C)[C@@H]1[C@H](CC[C@@H]3[C@]4(C)CC5=CNN=C5C3)[C@@H]4CC2
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INCHIAUX=IZGBPAAEPVNBGA-CVCKCIDVSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580784
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580784
SCANS=1
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347.218811	90.0
347.472412	130.0
350.079895	89.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580785
PEPMASS=345.254
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=stanozolol_3'oh [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=C[C@](O)(CC1)[C@@]2(C)[C@@H]1[C@H](CC[C@@H]3[C@]4(C)CC5=C(O)NN=C5C3)[C@@H]4CC2
INCHI=InChI=1S/C21H32N2O2/c1-19-11-14-17(22-23-18(14)24)10-12(19)4-5-13-15(19)6-8-20(2)16(13)7-9-21(20,3)25/h12-13,15-16,25H,4-11H2,1-3H3,(H2,22,23,24)/t12-,13+,15-,16-,19-,20+,21-/m0/s1
INCHIAUX=SWPAIUOYLTYQKK-BPUCSHBZSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580785
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580785
SCANS=1
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580786
PEPMASS=521.286
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=stanozolol_3'_O_glucuronide [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
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SUBMITUSER=jzemlin
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SPECTRUMID=CCMSLIB00013580786
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345.253113	4600000.0
345.412292	350000.0
346.256592	320000.0
346.417297	17000.0
347.237305	640.0
347.4505	690.0
347.622986	620.0
347.705688	520.0
347.789703	560.0
348.031799	580.0
349.098389	510.0
351.230286	530.0
351.376312	490.0
357.256287	870.0
387.268494	1300.0
411.264404	1100.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580787
PEPMASS=345.254
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=stanozolol_4b_OH [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=C[C@](O)(CC1)[C@@]2(C)[C@@H]1[C@H](CC[C@@H]3[C@]4(C)CC5=CNN=C5[C@@H]3O)[C@@H]4CC2
INCHI=InChI=1S/C21H32N2O2/c1-19-10-12-11-22-23-17(12)18(24)16(19)5-4-13-14(19)6-8-20(2)15(13)7-9-21(20,3)25/h11,13-16,18,24-25H,4-10H2,1-3H3,(H,22,23)/t13-,14+,15+,16+,18-,19-,20-,21+/m1/s1
INCHIAUX=OCUSYXNRARMJHS-CRNNROHXSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580787
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580787
SCANS=1
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580788
PEPMASS=313.216
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=tetrahydrogestrinone [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O=C1CCC2=C3C(C(CC[C@]4(CC)O)[C@]4(CC)C=C3)CCC2=C1
INCHI=InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h9,11,13,18-19,23H,3-8,10,12H2,1-2H3/t18?,19?,20-,21-/m0/s1
INCHIAUX=OXHNQTSIKGHVBH-JSRAGOMMSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580788
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580788
SCANS=1
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317.513092	13.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580789
PEPMASS=271.169
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=epitrenbolone [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=C[C@@]12C(CC[C@H]2O)C3CCC4=CC(CCC4=C3C=C1)=O
INCHI=InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h8-10,15-17,20H,2-7H2,1H3/t15?,16?,17-,18+/m1/s1
INCHIAUX=MEHHPFQKXOUFFV-HIEASXQVSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580789
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580789
SCANS=1
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276.184906	18.0
276.237396	14.0
276.395996	14.0
276.500793	10.0
276.59671	16.0
276.840088	13.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580790
PEPMASS=305.211
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=4_hydroxytestosterone [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O[C@H]1CCC2C3CCC4=C(O)C(CC[C@]4(C)C3CC[C@@]21C)=O
INCHI=InChI=1S/C19H28O3/c1-18-10-8-15(20)17(22)14(18)4-3-11-12-5-6-16(21)19(12,2)9-7-13(11)18/h11-13,16,21-22H,3-10H2,1-2H3/t11?,12?,13?,16-,18+,19-/m0/s1
INCHIAUX=BQOIJSIMMIDHMO-XRJYYLNASA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580790
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580790
SCANS=1
80.026398	14.0
80.057503	240.0
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80.142197	14.0
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80.199898	25.0
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81.033401	120.0
81.068802	3400.0
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81.175697	75.0
81.2015	29.0
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81.388	37.0
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580791
PEPMASS=269.191
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=7a_hydroxy_dhea [M-2H2O+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O[C@H]1CC[C@]2(C)C(C3[C@H](O)C=C2C1)CC[C@@]4(C)C3CCC4=O
INCHI=InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-15,17,20-21H,3-9H2,1-2H3/t12-,13?,14?,15+,17?,18-,19-/m0/s1
INCHIAUX=OLPSAOWBSPXZEA-JDCMXZMXSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580791
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580791
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580792
PEPMASS=277.216
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=19_norandrosterone [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O[C@@H]1CC[C@@]2([H])[C@](CC[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CCC4=O)([H])C1
INCHI=InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11-16,19H,2-10H2,1H3/t11-,12+,13-,14+,15+,16-,18-/m0/s1
INCHIAUX=UOUIARGWRPHDBX-CQZDKXCPSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580792
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580792
SCANS=1
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170.108704	55.0
171.113998	93.0
171.179596	13.0
171.345703	12.0
172.116898	43.0
172.656799	10.0
173.130005	16.0
174.417206	36.0
177.130905	11.0
180.521194	25.0
182.109406	14.0
182.1539	15.0
182.334793	15.0
183.115005	33.0
185.128403	76.0
191.532501	21.0
194.475906	14.0
195.264496	11.0
197.128098	11.0
197.454697	14.0
201.056702	48.0
202.064407	22.0
202.215393	10.0
203.258301	12.0
210.616592	10.0
211.137604	30.0
215.080002	29.0
233.476501	10.0
242.955505	11.0
251.213699	13.0
251.782501	29.0
251.819794	16.0
254.275299	14.0
254.312607	11.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580793
PEPMASS=287.201
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=androst_4_ene_3_17_dione_androstenedione [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=C[C@]12CCC(C=C1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CCC4=O)=O
INCHI=InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
INCHIAUX=AEMFNILZOJDQLW-QAGGRKNESA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580793
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580793
SCANS=1
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580794
PEPMASS=289.216
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=epitestosterone [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O[C@@H]1CCC2C3CCC4=CC(CC[C@]4(C)C3CC[C@@]21C)=O
INCHI=InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14?,15?,16?,17-,18+,19+/m1/s1
INCHIAUX=MUMGGOZAMZWBJJ-YKBUPIRMSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580794
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580794
SCANS=1
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580795
PEPMASS=291.232
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=etiocholanolone [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O=C1CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C
INCHI=InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1
INCHIAUX=QGXBDMJGAMFCBF-BNSUEQOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580795
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580795
SCANS=1
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580796
PEPMASS=289.216
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=testosterone [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O=C(CC1)C=C2[C@@]1(C)[C@@H](CC[C@@]3(C)[C@H]4CC[C@@H]3O)[C@H]4CC2
INCHI=InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
INCHIAUX=MUMGGOZAMZWBJJ-DYKIIFRCSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580796
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580796
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580797
PEPMASS=273.221
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=5a-androst-2-en-17-one [M+H]+
PI=Mehdi Beniddir
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580798
PEPMASS=442.122
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=andarine [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=FC(F)(F)C1=C([N+]([O-])=O)C=CC(NC([C@](O)(C)COC2=CC=C(NC(C)=O)C=C2)=O)=C1
INCHI=InChI=1S/C19H18F3N3O6/c1-11(26)23-12-3-6-14(7-4-12)31-10-18(2,28)17(27)24-13-5-8-16(25(29)30)15(9-13)19(20,21)22/h3-9,28H,10H2,1-2H3,(H,23,26)(H,24,27)/t18-/m0/s1
INCHIAUX=YVXVTLGIDOACBJ-SFHVURJKSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580798
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580798
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419.434204	32.0
450.448395	38.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580799
PEPMASS=309.069
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=andarine_m [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=OC[C@@](O)(C)C(NC1=CC(C(F)(F)F)=C([N+]([O-])=O)C=C1)=O
INCHI=InChI=1S/C11H11F3N2O5/c1-10(19,5-17)9(18)15-6-2-3-8(16(20)21)7(4-6)11(12,13)14/h2-4,17,19H,5H2,1H3,(H,15,18)/t10-/m0/s1
INCHIAUX=FEZWNOHXAIWDTD-JTQLQIEISA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580799
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580799
SCANS=1
84.077599	21.0
84.245102	10.0
84.3582	13.0
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323.62851	10.0
324.957306	10.0
328.867401	10.0
328.99939	16.0
342.71051	16.0
342.924011	24.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580800
PEPMASS=394.107
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=rad140 [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=N#CC1=CC=C(N[C@@H](C2=NN=C(C3=CC=C(C#N)C=C3)O2)C(C)O)C(C)=C1Cl
INCHI=InChI=1S/C20H16ClN5O2/c1-11-16(8-7-15(10-23)17(11)21)24-18(12(2)27)20-26-25-19(28-20)14-5-3-13(9-22)4-6-14/h3-8,12,18,24,27H,1-2H3/t12?,18-/m1/s1
INCHIAUX=XMBUPPIEVAFYHO-VMHBGOFLSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580800
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580800
SCANS=1
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152.532104	13.0
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383.238403	10.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580801
PEPMASS=291.232
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
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ORGANISM=AASDB
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PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O[C@@H]1CC[C@@]2(C)C(CC[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CCC4=O)C1
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INCHIAUX=QGXBDMJGAMFCBF-YROQGIJISA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580801
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580801
SCANS=1
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251.969696	14.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580802
PEPMASS=353.212
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=APCI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
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PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
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PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580802
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580802
SCANS=1
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580803
PEPMASS=289.216
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=testosterone [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O=C(CC1)C=C2[C@@]1(C)[C@@H](CC[C@@]3(C)[C@H]4CC[C@@H]3O)[C@H]4CC2
INCHI=InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
INCHIAUX=MUMGGOZAMZWBJJ-DYKIIFRCSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580803
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580803
SCANS=1
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294.436798	170.0
295.480408	34.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580804
PEPMASS=287.2
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=1_androstenedione [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O=C1CC[C@]2([H])[C@]1(C)CC[C@@]3([H])[C@@]2([H])CC[C@]4([H])[C@]3(C)C=CC(C4)=O
INCHI=InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,12,14-16H,3-6,8,10-11H2,1-2H3/t12-,14-,15-,16-,18-,19-/m0/s1
INCHIAUX=WJIQCDPCDVWDDE-WZNAKSSCSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580804
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580804
SCANS=1
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580805
PEPMASS=289.223
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=1_testosterone [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O[C@H]1CC[C@]2([H])[C@]1(C)CC[C@@]3([H])[C@@]2([H])CC[C@]4([H])[C@]3(C)C=CC(C4)=O
INCHI=InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,12,14-17,21H,3-6,8,10-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
INCHIAUX=OKJCFMUGMSVJBG-ABEVXSGRSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580805
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580805
SCANS=1
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580806
PEPMASS=305.211
CHARGE=1
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COLLISION_ENERGY=N/A
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SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=4_hydroxytestosterone [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O[C@H]1CCC2C3CCC4=C(O)C(CC[C@]4(C)C3CC[C@@]21C)=O
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PUBMED=N/A
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SPECTRUMID=CCMSLIB00013580806
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580807
PEPMASS=285.258
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=norbolethone_m1 [M-2H2O+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O[C@@H]1CCC2C(CCC3C2CC[C@@]4(CC)C3CC[C@]4(CC)O)C1
INCHI=InChI=1S/C21H36O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h14-19,22-23H,3-13H2,1-2H3/t14?,15-,16?,17?,18?,19?,20+,21+/m1/s1
INCHIAUX=KQIPRUISTDIUTD-YZHDUQTESA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580807
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580807
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321.400085	15.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580808
PEPMASS=343.227
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=danazol_m [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O=C1C(CO)C[C@@]2(C)C(CCC3C2CC[C@@]4(C)C3CC[C@@]4(O)C#C)=C1
INCHI=InChI=1S/C22H30O3/c1-4-22(25)10-8-18-16-6-5-15-11-19(24)14(13-23)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,14,16-18,23,25H,5-10,12-13H2,2-3H3/t14?,16?,17?,18?,20-,21-,22-/m0/s1
INCHIAUX=JGJFMZZHCOKXHX-CHHHDIBKSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580808
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580808
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340.39151	260.0
344.396912	380.0
344.428589	170.0
348.261505	180.0
348.672607	180.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580810
PEPMASS=303.232
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=methyl_1_testosterone [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O=C1C=C[C@@]2(C)C(CCC3C2CC[C@@]4(C)C3CC[C@@]4(O)C)C1
INCHI=InChI=1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,13,15-17,22H,4-5,7-8,10-12H2,1-3H3/t13?,15?,16?,17?,18-,19-,20-/m0/s1
INCHIAUX=JRNSSSJKIGAFCT-SCWDVOOWSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580810
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580810
SCANS=1
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307.85791	77.0
308.396088	170.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580811
PEPMASS=273.221
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=5a-androst-2-en-17-one [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O=C1CC[C@]2([H])[C@]1(C)CC[C@@]3([H])[C@@]2([H])CC[C@]4([H])[C@]3(C)CC=CC4
INCHI=InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h3-4,13-16H,5-12H2,1-2H3/t13-,14+,15+,16+,18+,19+/m1/s1
INCHIAUX=ISJVDMWNISUFRJ-HKQXQEGQSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580811
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580811
SCANS=1
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277.173187	95.0
277.185608	22.0
277.562012	19.0
277.579803	16.0
278.269806	83.0
278.768494	18.0
279.687714	16.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580812
PEPMASS=345.253
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=stanozolol_3'OH [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=C[C@](O)(CC1)[C@@]2(C)[C@@H]1[C@H](CC[C@@H]3[C@]4(C)CC5=C(O)NN=C5C3)[C@@H]4CC2
INCHI=InChI=1S/C21H32N2O2/c1-19-11-14-17(22-23-18(14)24)10-12(19)4-5-13-15(19)6-8-20(2)16(13)7-9-21(20,3)25/h12-13,15-16,25H,4-11H2,1-3H3,(H2,22,23,24)/t12-,13+,15-,16-,19-,20+,21-/m0/s1
INCHIAUX=SWPAIUOYLTYQKK-BPUCSHBZSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580812
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580812
SCANS=1
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351.622894	38.0
351.914307	42.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580816
PEPMASS=269.191
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=7a_hydroxy_dhea [M-2H2O+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O[C@H]1CC[C@]2(C)C(C3[C@H](O)C=C2C1)CC[C@@]4(C)C3CCC4=O
INCHI=InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-15,17,20-21H,3-9H2,1-2H3/t12-,13?,14?,15+,17?,18-,19-/m0/s1
INCHIAUX=OLPSAOWBSPXZEA-JDCMXZMXSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580816
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580816
SCANS=1
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310.988708	43.0
311.151093	47.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580818
PEPMASS=329.222
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=prostanozol_3'OH [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=C[C@@]12[C@](CCC3C2CC[C@@]4(C)C3CCC4=O)([H])CC5=NNC(O)=C5C1
INCHI=InChI=1S/C20H28N2O2/c1-19-8-7-15-12(14(19)5-6-17(19)23)4-3-11-9-16-13(10-20(11,15)2)18(24)22-21-16/h11-12,14-15H,3-10H2,1-2H3,(H2,21,22,24)/t11-,12?,14?,15?,19-,20-/m0/s1
INCHIAUX=IBVOKGNUOPSVJY-SMNWAGIPSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580818
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580818
SCANS=1
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580819
PEPMASS=442.122
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=andarine_s4 [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=FC(F)(F)C1=C([N+]([O-])=O)C=CC(NC([C@](O)(C)COC2=CC=C(NC(C)=O)C=C2)=O)=C1
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INCHIAUX=YVXVTLGIDOACBJ-SFHVURJKSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580819
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580819
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580820
PEPMASS=309.069
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=andarine_m [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=OC[C@@](O)(C)C(NC1=CC(C(F)(F)F)=C([N+]([O-])=O)C=C1)=O
INCHI=InChI=1S/C11H11F3N2O5/c1-10(19,5-17)9(18)15-6-2-3-8(16(20)21)7(4-6)11(12,13)14/h2-4,17,19H,5H2,1H3,(H,15,18)/t10-/m0/s1
INCHIAUX=FEZWNOHXAIWDTD-JTQLQIEISA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580820
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580820
SCANS=1
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335.361115	10.0
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343.9935	52.0
344.008606	10.0
344.075989	42.0
344.083008	37.0
346.032593	26.0
346.40741	10.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580821
PEPMASS=289.079
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=ostarine_m [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=OC[C@@](O)(C)C(NC1=CC(C(F)(F)F)=C(C#N)C=C1)=O
INCHI=InChI=1S/C12H11F3N2O3/c1-11(20,6-18)10(19)17-8-3-2-7(5-16)9(4-8)12(13,14)15/h2-4,18,20H,6H2,1H3,(H,17,19)/t11-/m0/s1
INCHIAUX=IIBBSRFFFOOJBY-NSHDSACASA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580821
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580821
SCANS=1
113.467499	17.0
120.023499	75.0
120.030998	17.0
129.093597	11.0
167.042694	340.0
167.074005	12.0
167.104599	28.0
189.012207	10.0
213.446304	10.0
225.863403	10.0
227.719406	12.0
259.070312	12.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580822
PEPMASS=319.207
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=fluoxymesterone_m2 [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O[C@H]1CC2=C(CCC2(C)C)[C@]3([H])CCC4=CC(CC[C@]4(C)[C@]31F)=O
INCHI=InChI=1S/C20H27FO2/c1-18(2)8-7-14-15-5-4-12-10-13(22)6-9-19(12,3)20(15,21)17(23)11-16(14)18/h10,15,17,23H,4-9,11H2,1-3H3/t15-,17-,19-,20-/m0/s1
INCHIAUX=YSDHXMCAMJECTJ-UHMOLFJZSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580822
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580822
SCANS=1
80.012199	100.0
80.021004	200.0
80.027298	180.0
80.050201	130.0
80.061798	4800.0
80.068802	160.0
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80.085297	300.0
80.108902	63.0
80.112602	110.0
80.116501	100.0
80.251404	81.0
80.284798	150.0
80.293297	140.0
80.328796	150.0
80.344398	150.0
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80.423302	130.0
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80.461899	72.0
80.476601	160.0
80.532898	71.0
80.550003	120.0
80.572502	62.0
80.586502	120.0
80.592796	75.0
80.7099	60.0
80.727402	81.0
80.851501	360.0
80.942802	110.0
81.033302	27000.0
81.039902	1000.0
81.046097	410.0
81.054298	700.0
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81.075897	3600.0
81.091202	2100.0
81.1558	180.0
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81.175201	63.0
81.1819	100.0
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81.255402	87.0
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81.315598	170.0
81.32	220.0
81.327301	240.0
81.331497	92.0
81.334396	150.0
81.337898	220.0
81.344299	86.0
81.355202	82.0
81.359398	98.0
81.372597	150.0
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82.515297	100.0
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82.9133	180.0
82.924797	74.0
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83.028702	2300.0
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83.179199	150.0
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83.193802	100.0
83.199501	220.0
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83.211197	66.0
83.238602	240.0
83.244904	76.0
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83.282303	180.0
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83.354599	170.0
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83.425102	180.0
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83.495796	170.0
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83.5084	130.0
83.511299	120.0
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83.565201	170.0
83.571999	180.0
83.5839	160.0
83.596199	76.0
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83.741203	140.0
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83.7827	150.0
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83.907402	100.0
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83.957397	130.0
83.961098	350.0
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84.012398	81.0
84.059303	160.0
84.065804	63.0
84.081497	160.0
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84.431702	60.0
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580824
PEPMASS=329.259
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=stanozolol [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=C[C@](O)(CC1)[C@@]2(C)[C@@H]1[C@H](CC[C@@H]3[C@]4(C)CC5=CNN=C5C3)[C@@H]4CC2
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INCHIAUX=LKAJKIOFIWVMDJ-QOJGXCKPSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580824
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580824
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329.629913	280.0
329.725098	310.0
329.775391	340.0
329.914215	340.0
330.263489	400.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580827
PEPMASS=521.286
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=stanozolol_3'_O_glucuronide [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=C[C@](O)(CC1)[C@@]2(C)[C@@H]1[C@H](CC[C@@H]3[C@]4(C)CC5=C(O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O6)NN=C5C3)[C@@H]4CC2
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INCHIAUX=MKNGATFAUPNAHP-PABZBXRPSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580827
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580827
SCANS=1
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580828
PEPMASS=271.243
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=methandriol_m [M-2H2O+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=C[C@]1(O)CCC2C1(C)CCC3C2CCC4C3(C)CCC(O)C4
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INCHIAUX=QGKQXZFZOIQFBI-GFPGYXBYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580828
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580828
SCANS=1
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310.261993	11.0
310.293915	21.0
312.682312	29.0
312.708588	63.0
312.7211	19.0
314.288086	66.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580829
PEPMASS=299.2
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=methandienone_m3_lt [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=C[C@@]12C(CCC3C2CCC4=C3CC[C@]4(C)CO)=CC(C=C1)=O
INCHI=InChI=1S/C20H26O2/c1-19(12-21)9-8-16-15-4-3-13-11-14(22)7-10-20(13,2)18(15)6-5-17(16)19/h7,10-11,15,18,21H,3-6,8-9,12H2,1-2H3/t15?,18?,19-,20+/m1/s1
INCHIAUX=GCYZSDGHIVBKJR-AVMZVFHNSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580829
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580829
SCANS=1
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304.663208	160.0
304.933014	81.0
305.963287	34.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580830
PEPMASS=394.106
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=rad140 [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=N#CC1=CC=C(N[C@@H](C2=NN=C(C3=CC=C(C#N)C=C3)O2)C(C)O)C(C)=C1Cl
INCHI=InChI=1S/C20H16ClN5O2/c1-11-16(8-7-15(10-23)17(11)21)24-18(12(2)27)20-26-25-19(28-20)14-5-3-13(9-22)4-6-14/h3-8,12,18,24,27H,1-2H3/t12?,18-/m1/s1
INCHIAUX=XMBUPPIEVAFYHO-VMHBGOFLSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580830
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580830
SCANS=1
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388.972198	55.0
398.965393	190.0
399.994904	64.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580831
PEPMASS=305.211
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=oxandrolone_m3 [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=C[C@@]12[C@](CCC3C2CCC4=C3CC[C@]4(CO)C)([H])CC(OC1)=O
INCHI=InChI=1S/C19H28O3/c1-18(10-20)8-7-14-13-4-3-12-9-17(21)22-11-19(12,2)16(13)6-5-15(14)18/h12-13,16,20H,3-11H2,1-2H3/t12-,13?,16?,18-,19-/m0/s1
INCHIAUX=CCCXHTHETXUUDU-ARGSZDFHSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580831
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580831
SCANS=1
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258.18869	22.0
258.838806	160.0
258.851288	39.0
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259.75	15.0
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259.955414	31.0
260.406799	17.0
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268.071899	63.0
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287.561707	16.0
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292.104889	39.0
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297.239685	19.0
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299.000305	32.0
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300.485413	47.0
302.546387	180.0
302.560791	20.0
302.713104	12.0
302.789093	72.0
310.475708	130.0
310.491486	18.0
310.921692	31.0
310.968201	22.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580832
PEPMASS=317.247
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=18_nor_17a_hydroxymethyl_2a_17b_dimethyl_5a_androst_13_en_3_one_ESI [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=C[C@]12[C@@](CC([C@@H](C2)C)=O)([H])CCC3C1CCC4=C3CC[C@@]4(C)CO
INCHI=InChI=1S/C21H32O2/c1-13-11-21(3)14(10-19(13)23)4-5-15-16-8-9-20(2,12-22)17(16)6-7-18(15)21/h13-15,18,22H,4-12H2,1-3H3/t13-,14+,15?,18?,20+,21+/m1/s1
INCHIAUX=YKELUTWGCGLPTM-DLKWBXKKSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580832
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580832
SCANS=1
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323.421692	96.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580833
PEPMASS=317.247
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=18_nor_17a_hydroxymethyl_2b_17b_dimethyl_5a_androst_13_en_3_one_ESI [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=C[C@]12[C@@](CC([C@H](C2)C)=O)([H])CCC3C1CCC4=C3CC[C@@]4(C)CO
INCHI=InChI=1S/C21H32O2/c1-13-11-21(3)14(10-19(13)23)4-5-15-16-8-9-20(2,12-22)17(16)6-7-18(15)21/h13-15,18,22H,4-12H2,1-3H3/t13-,14-,15?,18?,20-,21-/m0/s1
INCHIAUX=YKELUTWGCGLPTM-ATIXOYLESA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580833
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580833
SCANS=1
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317.376099	11.0
317.539703	13.0
322.170105	12.0
322.270996	24.0
322.278015	22.0
322.516388	11.0
323.669006	31.0
323.6828	12.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580835
PEPMASS=325.18
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=6a_hydroxy_gestrinone [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O[C@]1(C#C)CCC2C3C[C@H](O)C4=CC(CCC4=C3C=C[C@@]21CC)=O
INCHI=InChI=1S/C21H24O3/c1-3-20-9-7-15-14-6-5-13(22)11-17(14)19(23)12-16(15)18(20)8-10-21(20,24)4-2/h2,7,9,11,16,18-19,23-24H,3,5-6,8,10,12H2,1H3/t16?,18?,19-,20-,21+/m0/s1
INCHIAUX=KQUWZIRAKHNAAC-ZRTAOYRGSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580835
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580835
SCANS=1
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329.375488	36.0
330.00589	78.0
330.074005	47.0
330.5065	320.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580837
PEPMASS=287.2
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=7_methylnortestosterone_m2 [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O=C1CC2C(CC1)C(CC[C@]34C)[C@@H](C(C)=C2)[C@@H]4CCC3=O
INCHI=InChI=1S/C19H26O2/c1-11-9-12-10-13(20)3-4-14(12)15-7-8-19(2)16(18(11)15)5-6-17(19)21/h9,12,14-16,18H,3-8,10H2,1-2H3/t12?,14?,15?,16-,18+,19-/m0/s1
INCHIAUX=DBLUGCWWXSURJC-ZEMBGDQVSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580837
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580837
SCANS=1
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294.738586	160.0
294.754211	38.0
294.770599	12.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580839
PEPMASS=317.247
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=oxymetholone_m2 [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=C[C@@]12[C@](CCC3C2CCC4=C3CC[C@]4(C)CO)([H])CC(C(C)C1)=O
INCHI=InChI=1S/C21H32O2/c1-13-11-21(3)14(10-19(13)23)4-5-15-16-8-9-20(2,12-22)17(16)6-7-18(15)21/h13-15,18,22H,4-12H2,1-3H3/t13?,14-,15?,18?,20+,21-/m0/s1
INCHIAUX=YKELUTWGCGLPTM-PALYKTHMSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580839
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580839
SCANS=1
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580841
PEPMASS=345.253
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=stanozolol_4b_OH [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=C[C@](O)(CC1)[C@@]2(C)[C@@H]1[C@H](CC[C@@H]3[C@]4(C)CC5=CNN=C5[C@@H]3O)[C@@H]4CC2
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INCHIAUX=OCUSYXNRARMJHS-CRNNROHXSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580841
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191.177994	580.0
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192.094498	370.0
192.806305	310.0
193.101807	1400.0
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195.116699	1200.0
196.125107	400.0
197.107803	2400.0
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198.140793	1500.0
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199.123199	10000.0
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201.148697	1000.0
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273.134399	330.0
273.171204	340.0
273.191803	320.0
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275.173309	340.0
275.348114	340.0
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281.197998	1300.0
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285.232697	3400.0
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293.200989	610.0
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297.196503	2300.0
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299.246307	330.0
301.227386	390.0
302.214111	740.0
303.171906	370.0
303.207703	540.0
303.218811	330.0
303.241913	460.0
303.762512	380.0
309.2323	3700.0
311.212402	920.0
311.245087	340.0
312.197113	370.0
312.221405	380.0
312.247314	300.0
313.149811	330.0
313.227386	27000.0
313.237915	2400.0
313.268188	520.0
314.2117	390.0
315.207306	3900.0
316.2276	640.0
327.24231	11000.0
327.255615	410.0
328.067688	330.0
328.227386	1600.0
328.234711	490.0
329.212006	360.0
329.22171	3200.0
329.234894	320.0
330.23111	310.0
333.269897	370.0
339.42749	330.0
341.477112	300.0
342.756714	330.0
345.233002	590.0
345.25351	340000.0
345.532013	470.0
345.633911	410.0
345.671204	370.0
345.684692	340.0
345.754089	290.0
345.763092	590.0
345.78421	360.0
345.912598	320.0
345.923615	390.0
345.942596	330.0
345.955109	460.0
345.970306	400.0
345.996185	380.0
346.071686	300.0
346.189697	310.0
346.243896	350.0
346.253815	830.0
346.260895	880.0
346.271698	320.0
346.39859	380.0
346.878387	330.0
346.917389	450.0
349.736115	340.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580843
PEPMASS=285.258
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=pregnanediol [M-2H2O+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O[C@@H]1CC[C@@]2(C)[C@@H](C1)CC[C@H]3[C@@H]4CC[C@H]([C@H](C)O)[C@]4(CC[C@@H]32)C
INCHI=InChI=1S/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3/t13-,14+,15+,16-,17+,18-,19-,20-,21+/m0/s1
INCHIAUX=YWYQTGBBEZQBGO-BERLURQNSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580843
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580843
SCANS=1
80.062302	17.0
80.183601	130.0
80.190697	18.0
80.447701	21.0
80.599197	65.0
80.662201	10.0
81.069801	7100.0
81.076401	510.0
81.080803	63.0
81.084702	71.0
81.091698	170.0
81.109497	24.0
81.113297	42.0
81.118202	55.0
81.121101	20.0
81.128403	44.0
81.134903	33.0
81.155296	10.0
81.1651	11.0
81.188499	18.0
81.203796	11.0
81.225304	11.0
81.249901	170.0
81.254898	42.0
81.257301	18.0
81.292297	27.0
81.3358	96.0
81.376404	45.0
81.383698	15.0
81.401299	82.0
81.409203	19.0
81.452003	160.0
81.487801	12.0
81.5243	11.0
81.530998	44.0
81.673897	17.0
81.679199	16.0
82.072899	280.0
82.114601	10.0
82.227097	24.0
82.442299	70.0
82.589699	95.0
82.672096	24.0
82.725601	20.0
83.020798	58.0
83.0858	1100.0
83.101303	17.0
83.103996	18.0
83.124702	10.0
83.162598	12.0
83.227402	20.0
83.561401	11.0
83.791199	21.0
85.586098	11.0
86.633698	65.0
86.636597	58.0
87.6222	27.0
87.7687	14.0
87.848503	11.0
89.289001	110.0
89.2976	12.0
89.497299	14.0
89.794701	280.0
89.817596	17.0
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90.903801	36.0
91.054298	11000.0
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91.077003	200.0
91.087502	11.0
91.0952	60.0
91.105598	89.0
91.115898	92.0
91.1259	53.0
91.135002	21.0
91.138298	27.0
91.141296	17.0
91.148804	13.0
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91.171997	11.0
91.175903	10.0
91.196098	59.0
91.202202	10.0
91.2146	11.0
91.219902	12.0
91.238098	100.0
91.272301	21.0
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91.547699	110.0
91.556297	21.0
91.582001	140.0
91.589401	58.0
91.621597	10.0
91.667099	77.0
91.691902	45.0
91.706802	200.0
91.808296	120.0
91.815102	61.0
91.848701	130.0
91.974503	30.0
92.027496	22.0
92.033401	39.0
92.038696	14.0
92.416	25.0
93.069702	6600.0
93.074402	310.0
93.083199	51.0
93.0858	27.0
93.092201	190.0
93.113297	32.0
93.114799	32.0
93.120796	38.0
93.131104	25.0
93.141197	28.0
93.145699	12.0
93.157799	10.0
93.162201	14.0
93.177902	14.0
93.1819	52.0
93.189003	12.0
93.222504	12.0
93.236	37.0
93.284302	70.0
93.362701	44.0
93.367897	30.0
93.373299	27.0
93.414398	110.0
93.419502	23.0
93.618896	14.0
93.645897	27.0
93.652	17.0
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94.025803	44.0
95.081497	250.0
95.085403	3600.0
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95.108398	38.0
95.128098	26.0
95.132698	30.0
95.135399	35.0
95.139801	20.0
95.1474	18.0
95.213501	11.0
95.221901	10.0
95.295403	15.0
95.357803	68.0
95.366203	170.0
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95.3881	21.0
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95.552299	18.0
96.466003	25.0
96.4701	35.0
96.864197	110.0
96.920197	10.0
99.412003	22.0
100.056	34.0
100.063301	14.0
100.308197	10.0
100.771103	14.0
100.862396	10.0
103.054703	870.0
103.058098	440.0
103.061798	30.0
103.096703	17.0
103.109299	22.0
103.1147	68.0
103.118896	12.0
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103.170898	10.0
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103.653999	25.0
103.660698	71.0
103.872101	14.0
104.062798	820.0
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104.117104	15.0
104.127899	15.0
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104.625397	12.0
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105.094498	180.0
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106.193001	27.0
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108.442703	10.0
108.714203	88.0
108.722198	21.0
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110.0839	11.0
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112.065201	64.0
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118.138397	11.0
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167.499802	15.0
182.453796	23.0
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186.702805	12.0
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202.414093	58.0
202.425293	12.0
204.438904	32.0
204.446198	12.0
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213.603897	22.0
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227.571198	380.0
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241.620605	55.0
242.8909	89.0
242.902603	15.0
246.421494	120.0
248.152603	48.0
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254.546204	200.0
255.149094	31.0
255.160995	17.0
256.449707	11.0
258.035706	46.0
264.003601	130.0
264.015106	17.0
265.316498	110.0
265.326508	73.0
267.193512	97.0
267.205902	63.0
282.967896	40.0
305.515289	11.0
314.176605	14.0
314.634888	17.0
321.6633	33.0
321.672394	21.0
322.617493	38.0
322.624603	16.0
324.394714	110.0
330.52359	51.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580844
PEPMASS=287.2
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=boldenone [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O[C@H]1CCC2C3CCC4=CC(C=C[C@]4(C)C3CC[C@@]21C)=O
INCHI=InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-17,21H,3-6,8,10H2,1-2H3/t14?,15?,16?,17-,18-,19-/m0/s1
INCHIAUX=RSIHSRDYCUFFLA-PPORCNLBSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580844
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580844
SCANS=1
80.016403	63.0
80.023697	20.0
80.033897	11.0
80.062401	560.0
80.081802	28.0
80.098801	12.0
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80.110497	12.0
80.1185	12.0
80.139	72.0
80.1455	12.0
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80.239502	55.0
80.502602	54.0
80.586601	65.0
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81.017403	80.0
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81.033897	820.0
81.0392	300.0
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81.069702	18000.0
81.074303	1900.0
81.077301	530.0
81.083603	200.0
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81.139198	61.0
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81.196701	12.0
81.199203	11.0
81.206398	52.0
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81.324501	79.0
81.3302	27.0
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580845
PEPMASS=271.213
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=ethylestrenol_m [M-2H2O+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=C[C@]1(CC2)[C@@H](CC[C@]1(CC)O)[C@H]3[C@H]2[C@@H]4[C@@](CC3)([H])C[C@H](O)CC4
INCHI=InChI=1S/C20H34O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h13-18,21-22H,3-12H2,1-2H3/t13-,14-,15+,16-,17-,18+,19+,20+/m1/s1
INCHIAUX=GUBNWXDDDXQJOQ-VIVHBNLFSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580845
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580845
SCANS=1
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304.21109	16.0
305.359894	14.0
310.22641	28.0
311.929504	14.0
311.93869	20.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580846
PEPMASS=301.216
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=epimethanedienone [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O=C1C=C[C@@]2(C)C(CCC3C2CC[C@@]4(C)C3CC[C@]4(O)C)=C1
INCHI=InChI=1S/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,12,15-17,22H,4-5,7-8,10-11H2,1-3H3/t15?,16?,17?,18-,19-,20+/m0/s1
INCHIAUX=XWALNWXLMVGSFR-YNCRDBHISA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580846
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580846
SCANS=1
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580847
PEPMASS=271.169
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=trenbolone_b [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O=C1C=C2C(CC1)=C3C=C[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC2)O
INCHI=InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h8-10,15-17,20H,2-7H2,1H3/t15-,16+,17+,18+/m1/s1
INCHIAUX=MEHHPFQKXOUFFV-OWSLCNJRSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580847
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580847
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580849
PEPMASS=287.2
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=androst_4_ene_3_17_dione_androstenedione [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=C[C@]12CCC(C=C1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CCC4=O)=O
INCHI=InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
INCHIAUX=AEMFNILZOJDQLW-QAGGRKNESA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580849
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580849
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580850
PEPMASS=335.177
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=dehydrochlormethyltestosterone [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O=C1C=C[C@@]2(C)C(CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@]4(C)O)=C1Cl
INCHI=InChI=1S/C20H27ClO2/c1-18-9-8-16(22)17(21)15(18)5-4-12-13(18)6-10-19(2)14(12)7-11-20(19,3)23/h8-9,12-14,23H,4-7,10-11H2,1-3H3/t12-,13+,14+,18-,19+,20+/m1/s1
INCHIAUX=AGUNEISBPXQOPA-XMUHMHRVSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580850
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580850
SCANS=1
80.023102	28.0
80.039597	120.0
80.156601	47.0
80.160301	27.0
80.320702	31.0
80.371597	28.0
80.374496	39.0
80.435997	88.0
80.439102	18.0
80.456398	11.0
80.4618	17.0
80.514397	68.0
80.529099	150.0
80.536903	18.0
80.656502	32.0
80.890404	12.0
81.069504	13000.0
81.0746	850.0
81.083397	61.0
81.090897	190.0
81.106201	56.0
81.109596	76.0
81.116997	89.0
81.126701	110.0
81.136703	54.0
81.142197	100.0
81.146103	32.0
81.149399	97.0
81.157097	32.0
81.161102	12.0
81.164902	14.0
81.168198	14.0
81.186501	12.0
81.204201	95.0
81.210999	21.0
81.214302	29.0
81.225502	20.0
81.2342	11.0
81.237701	18.0
81.271301	10.0
81.287903	96.0
81.336304	120.0
81.341301	62.0
81.370201	22.0
81.373199	54.0
81.378601	27.0
81.384499	13.0
81.395699	99.0
81.401398	28.0
81.423599	69.0
81.466797	22.0
81.577904	34.0
81.583504	14.0
81.704803	78.0
81.748596	20.0
81.762299	38.0
81.769798	22.0
81.8106	14.0
81.815002	170.0
81.821999	34.0
81.853203	110.0
81.858101	75.0
81.886703	160.0
81.966202	120.0
82.0728	410.0
82.194504	310.0
82.2286	24.0
82.3731	18.0
82.434799	10.0
82.699997	12.0
82.780602	10.0
83.085403	290.0
83.525002	47.0
83.532204	35.0
83.587502	38.0
83.593399	27.0
83.639099	10.0
83.9692	35.0
83.973503	45.0
84.028503	15.0
84.499001	14.0
84.547203	28.0
84.551498	17.0
85.042999	32.0
85.048302	16.0
85.3657	160.0
85.533699	14.0
85.752296	32.0
86.438499	38.0
87.091003	12.0
88.002197	20.0
88.452599	30.0
88.455498	28.0
88.490402	15.0
88.978996	540.0
88.996803	420.0
89.000702	17.0
89.018898	11.0
89.030296	14.0
89.0383	370.0
89.089401	11.0
89.100502	16.0
89.319702	18.0
89.989403	46.0
90.190804	95.0
90.199501	14.0
90.212196	120.0
90.220901	18.0
90.4226	10.0
90.519096	12.0
90.870003	76.0
90.876801	20.0
90.893097	100.0
90.901299	19.0
91.015198	210.0
91.037201	34.0
91.044296	31.0
91.054001	88000.0
91.060799	6200.0
91.157799	240.0
91.160599	58.0
91.165901	26.0
91.173798	33.0
91.176804	78.0
91.182198	19.0
91.184998	30.0
91.197998	49.0
91.202904	38.0
91.208397	20.0
91.213898	15.0
91.2257	12.0
91.228401	23.0
91.2342	110.0
91.237999	21.0
91.240196	20.0
91.247704	14.0
91.251701	16.0
91.261101	12.0
91.267403	75.0
91.2724	120.0
91.279297	16.0
91.282204	170.0
91.291603	10.0
91.299004	110.0
91.302498	72.0
91.305801	15.0
91.310303	160.0
91.315399	50.0
91.320099	24.0
91.323997	34.0
91.328903	22.0
91.336899	11.0
91.350502	38.0
91.357201	84.0
91.362701	100.0
91.366203	170.0
91.370102	270.0
91.374397	28.0
91.3806	120.0
91.384003	15.0
91.389099	15.0
91.391296	25.0
91.403503	260.0
91.406502	74.0
91.4198	91.0
91.425499	26.0
91.436302	110.0
91.442299	160.0
91.450401	54.0
91.4552	29.0
91.458	120.0
91.465897	35.0
91.469498	13.0
91.473503	290.0
91.481102	97.0
91.490997	30.0
91.519997	71.0
91.527901	22.0
91.548302	290.0
91.555	82.0
91.5588	58.0
91.565102	100.0
91.569199	57.0
91.575203	67.0
91.606201	83.0
91.613297	18.0
91.628098	12.0
91.6558	130.0
91.660202	290.0
91.662903	15.0
91.668999	68.0
91.678703	89.0
91.683403	190.0
91.691101	110.0
91.693398	82.0
91.699203	41.0
91.7043	18.0
91.7089	32.0
91.713303	85.0
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91.728104	20.0
91.750397	24.0
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91.792	25.0
91.797897	18.0
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91.847504	11.0
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91.862297	14.0
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91.884598	72.0
91.922699	100.0
91.9786	78.0
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91.9991	51.0
92.003899	19.0
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92.0513	18.0
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92.348801	52.0
92.354301	260.0
92.356796	11.0
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92.407097	10.0
92.452499	130.0
92.500999	12.0
92.569603	42.0
92.5755	14.0
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92.616096	120.0
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92.635696	21.0
92.653702	12.0
92.667099	75.0
92.6726	21.0
92.715797	11.0
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92.830902	11.0
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92.911301	75.0
92.921799	10.0
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92.990303	12.0
93.005302	28.0
93.0177	88.0
93.059502	34.0
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93.082199	130.0
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93.202904	11.0
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93.229401	250.0
93.236	42.0
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93.252502	11.0
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580851
PEPMASS=313.216
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=ethisterone [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O[C@@]1(C#C)CCC2C3CCC4=CC(CC[C@]4(C)C3CC[C@@]21C)=O
INCHI=InChI=1S/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16?,17?,18?,19-,20-,21-/m0/s1
INCHIAUX=CHNXZKVNWQUJIB-AYUYWISESA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580851
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580851
SCANS=1
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580852
PEPMASS=289.216
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=boldenone-m [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O[C@H]1CCC2C3CC[C@]4([H])CC(C=C[C@]4(C)C3CC[C@@]21C)=O
INCHI=InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,12,14-17,21H,3-6,8,10-11H2,1-2H3/t12-,14?,15?,16?,17+,18+,19+/m1/s1
INCHIAUX=OKJCFMUGMSVJBG-WYSACVJLSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580852
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580852
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580855
PEPMASS=351.172
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=dehydrochlormethyltestosterone-m [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O=C1C=C[C@@]2(C)C([C@H](O)C[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@]4(C)O)=C1Cl
INCHI=InChI=1S/C20H27ClO3/c1-18-7-6-14(22)17(21)16(18)15(23)10-11-12(18)4-8-19(2)13(11)5-9-20(19,3)24/h6-7,11-13,15,23-24H,4-5,8-10H2,1-3H3/t11-,12+,13+,15-,18-,19+,20+/m1/s1
INCHIAUX=WGVLKKXLCOUHPO-MNPQAXFZSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580855
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580855
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335.833099	47.0
336.301697	12.0
342.359406	180.0
342.406403	12.0
345.163696	46.0
357.402191	36.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580856
PEPMASS=347.221
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=formebolone-m [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O[C@@]1(C)[C@@H](O)CC2C3CCC4CC5=NON=C5C[C@]4(C)C3CC[C@@]21C
INCHI=InChI=1S/C20H30N2O3/c1-18-10-16-15(21-25-22-16)8-11(18)4-5-12-13(18)6-7-19(2)14(12)9-17(23)20(19,3)24/h11-14,17,23-24H,4-10H2,1-3H3/t11?,12?,13?,14?,17-,18-,19-,20-/m0/s1
INCHIAUX=WWOPKCRAWYWZPG-CDBBJCCQSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580856
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580856
SCANS=1
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352.644012	70.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580857
PEPMASS=285.258
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=bolasterone-m [M-2H2O+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]3[C@H]2[C@H](C)C[C@@]4([H])[C@]3(C)CC[C@@H](O)C4
INCHI=InChI=1S/C21H36O2/c1-13-11-14-12-15(22)5-8-19(14,2)16-6-9-20(3)17(18(13)16)7-10-21(20,4)23/h13-18,22-23H,5-12H2,1-4H3/t13-,14-,15-,16+,17+,18-,19+,20+,21+/m1/s1
INCHIAUX=ZWQUPIDNCOVROC-HEEAJRSSSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580857
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580857
SCANS=1
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580861
PEPMASS=271.169
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=epitrenbolone [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=C[C@@]12C(CC[C@H]2O)C3CCC4=CC(CCC4=C3C=C1)=O
INCHI=InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h8-10,15-17,20H,2-7H2,1H3/t15?,16?,17-,18+/m1/s1
INCHIAUX=MEHHPFQKXOUFFV-HIEASXQVSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580861
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580861
SCANS=1
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580862
PEPMASS=317.247
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=calusterone [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O=C1CC[C@@]2(C)C(C[C@H](C)C3C2CC[C@@]4(C)C3CC[C@]4(C)O)=C1
INCHI=InChI=1S/C21H32O2/c1-13-11-14-12-15(22)5-8-19(14,2)16-6-9-20(3)17(18(13)16)7-10-21(20,4)23/h12-13,16-18,23H,5-11H2,1-4H3/t13-,16?,17?,18?,19-,20-,21-/m0/s1
INCHIAUX=IVFYLRMMHVYGJH-JTRUIORZSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580862
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580862
SCANS=1
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580864
PEPMASS=289.216
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=epitestosterone [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O[C@@H]1CCC2C3CCC4=CC(CC[C@]4(C)C3CC[C@@]21C)=O
INCHI=InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14?,15?,16?,17-,18+,19+/m1/s1
INCHIAUX=MUMGGOZAMZWBJJ-YKBUPIRMSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580864
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580864
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580865
PEPMASS=303.232
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=metenolone [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O=C1C=C(C)[C@@]2(C)C(CCC3C2CC[C@@]4(C)C3CC[C@@H]4O)C1
INCHI=InChI=1S/C20H30O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h10,13,15-18,22H,4-9,11H2,1-3H3/t13?,15?,16?,17?,18-,19-,20-/m0/s1
INCHIAUX=ANJQEDFWRSLVBR-SCWDVOOWSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580865
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580865
SCANS=1
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302.614807	17.0
302.620789	11.0
304.425293	48.0
304.436005	40.0
305.378296	53.0
310.824799	38.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580866
PEPMASS=317.211
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=methandienone_m [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O=C1C=C[C@@]2(C)C([C@H](O)CC3C2CC[C@@]4(C)C3CC[C@@]4(O)C)=C1
INCHI=InChI=1S/C20H28O3/c1-18-7-4-12(21)10-16(18)17(22)11-13-14(18)5-8-19(2)15(13)6-9-20(19,3)23/h4,7,10,13-15,17,22-23H,5-6,8-9,11H2,1-3H3/t13?,14?,15?,17-,18-,19+,20+/m1/s1
INCHIAUX=OBCJFTMGLMNCTJ-UZQAHGBISA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580866
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580866
SCANS=1
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580868
PEPMASS=313.216
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=tetrahydrogestrinone [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O=C1CCC2=C3C(C(CC[C@]4(CC)O)[C@]4(CC)C=C3)CCC2=C1
INCHI=InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h9,11,13,18-19,23H,3-8,10,12H2,1-2H3/t18?,19?,20-,21-/m0/s1
INCHIAUX=OXHNQTSIKGHVBH-JSRAGOMMSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580868
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580868
SCANS=1
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580869
PEPMASS=345.253
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=stanozolol_4b_oh [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=C[C@](O)(CC1)[C@@]2(C)[C@@H]1[C@H](CC[C@@H]3[C@]4(C)CC5=CNN=C5C3O)[C@@H]4CC2
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PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580869
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580869
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348.93869	110.0
349.184906	120.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580870
PEPMASS=291.195
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=oxabolone [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O[C@H]1CCC2C3CCC4=C(O)C(CCC4C3CC[C@@]21C)=O
INCHI=InChI=1S/C18H26O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h10-12,14,16,20-21H,2-9H2,1H3/t10?,11?,12?,14?,16-,18-/m0/s1
INCHIAUX=GXHBCWCMYVTJOW-DNBWYCQVSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580870
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580870
SCANS=1
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END IONS

BEGIN IONS
TITLE=CCMSLIB00013580871
PEPMASS=505.291
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=N_glucuronide_stanozolol [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O[C@H]1[C@H](O)[C@@H](C(O)=O)O[C@@H](N2C(C[C@@](CC[C@]3([H])[C@]4([H])CC[C@@]5(C)[C@@]3([H])CC[C@@]5(O)C)([H])[C@]4(C)C6)=C6C=N2)[C@@H]1O
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SPECTRUMID=CCMSLIB00013580871
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533.752075	12.0
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535.327271	26.0
536.728394	12.0
537.483887	15.0
538.8703	10.0
538.88208	11.0
539.15918	10.0
547.656006	20.0
548.633911	11.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00013580872
PEPMASS=505.291
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=AASDB
NAME=N_epi_glucuronide_stanozolol [M+H]+
PI=Mehdi Beniddir
DATACOLLECTOR=Anis Elloumi
SMILES=O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)N2C3=C(C=N2)C[C@@]4(C)[C@](CC[C@@]5([C@](CC[C@]6([C@]5(CC[C@]6(C)O)[H])C)4[H])[H])([H])C3)C(O)=O)O
INCHI=InChI=1S/C27H40N2O7/c1-25-11-13-12-28-29(23-21(32)19(30)20(31)22(36-23)24(33)34)18(13)10-14(25)4-5-15-16(25)6-8-26(2)17(15)7-9-27(26,3)35/h12,14-17,19-23,30-32,35H,4-11H2,1-3H3,(H,33,34)/t14-,15+,16-,17-,19-,20-,21+,22-,23+,25-,26-,27-/m0/s1
INCHIAUX=IYTCJHAITRCOFI-LUNJXUFESA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00013580872
USI=mzspec:GNPS:AASDB:accession:CCMSLIB00013580872
SCANS=1
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85.029099	340.0
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538.8703	10.0
538.88208	11.0
539.15918	10.0
547.656006	20.0
548.633911	11.0
END IONS