ACCESSION: MSBNK-PFOS_research_group-FFF00231
RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS
DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20)
AUTHORS: Atsushi Yamamoto, PFOS.jp
LICENSE: CC BY-SA
COPYRIGHT: PFOS.jp
COMMENT: Disclaimer: While authors make an effort to ensure that the content of this record is accurate, the authors make no representations or warranties in relation to the accuracy or completeness of the record. This record do not reflect any viewpoints of the affiliation and organization to which the authors belong.
CH$NAME: Dihydrotestosterone
CH$COMPOUND_CLASS: Natural Product; Steroid hormone
CH$FORMULA: C19H30O2
CH$EXACT_MASS: 290.22458
CH$SMILES: O=C(C4)CC([H])(C3)C(C)(C4)C(C2)C(C3)C(C1)C(C)(C2)C(O)C1
CH$IUPAC: 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/h12,14-17,21H,3-11H2,1-2H3/t12-,14?,15?,16?,17-,18?,19?/m0/s1
CH$LINK: CAS
521-18-6
CH$LINK: LIPIDBANK
SST0297
CH$LINK: INCHIKEY
NVKAWKQGWWIWPM-FMFZMMAASA-N
AC$INSTRUMENT: API2000
AC$INSTRUMENT_TYPE: LC-APPI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$CHROMATOGRAPHY: RETENTION_TIME 0.821067 min
MS$FOCUSED_ION: BASE_PEAK 305.299988
MS$FOCUSED_ION: ION_TYPE [M+CH3]+
PK$SPLASH: splash10-0a4r-0093000000-9d864dd2e2bdcf1eb12f
PK$NUM_PEAK: 116
PK$PEAK: m/z int. rel.int.
201.142732 18089040.000000 108
202.099494 4743370.500000 28
203.142203 11613804.000000 69
205.121677 6720358.500000 40
206.117187 2177088.000000 13
207.134146 7749873.000000 46
209.145853 20604297.000000 123
211.159443 24802395.000000 148
213.138451 23620804.500000 141
214.166581 9340668.000000 56
215.153362 19131561.000000 114
216.158342 4102050.000000 24
217.152011 7013505.000000 42
219.136905 6181089.000000 37
221.126120 10809402.000000 65
223.139944 13948971.000000 83
225.176145 18320155.500000 109
227.189060 19334662.500000 115
228.170133 5694846.000000 34
229.177529 12707350.500000 76
230.203504 4512255.000000 27
231.160601 16445218.500000 98
233.137712 8972484.000000 54
235.120612 10057026.000000 60
237.146524 37130556.000000 222
238.124157 9798897.000000 59
239.165604 12333163.500000 74
240.206143 3224611.500000 19
241.226526 10523259.000000 63
243.220274 12899446.500000 77
245.183830 10160077.500000 61
247.156603 12357175.500000 74
249.123963 13702848.000000 82
250.090789 4236117.000000 25
251.157624 9146571.000000 55
253.198408 12189091.500000 73
255.211464 55295634.000000 330
257.177459 18002997.000000 108
259.186750 16340166.000000 98
261.164546 18596293.500000 111
263.159583 21768879.000000 130
265.152013 13514754.000000 81
267.183812 17737864.500000 106
269.209757 24242115.000000 145
271.232195 54583278.000000 326
273.284864 43585782.000000 260
275.190228 11752873.500000 70
277.179340 12029011.500000 72
279.170596 19415703.000000 116
281.205446 7679838.000000 46
283.213390 13897945.500000 83
285.249740 29528757.000000 176
287.278905 70363164.000000 420
289.299496 23828908.500000 142
291.317215 40380180.000000 241
293.212753 5522760.000000 33
295.200843 3797898.000000 23
297.221718 4625311.500000 28
299.219371 6993495.000000 42
301.270177 10031013.000000 60
303.329835 23312650.500000 139
305.391317 167290603.500000 999
309.227402 3373686.000000 20
311.249645 3099549.000000 19
313.239229 4254126.000000 25
315.275978 6189093.000000 37
317.239651 4350174.000000 26
319.272467 4128063.000000 25
320.272883 1593796.500000 10
321.285924 3681840.000000 22
323.263176 2999499.000000 18
325.191785 2387193.000000 14
326.221743 929464.500000 6
327.199405 2350174.500000 14
328.199361 938469.000000 6
329.198673 2564281.500000 15
331.194501 2547273.000000 15
333.220667 3117558.000000 19
335.241142 2699349.000000 16
337.255448 3085542.000000 18
338.232293 1344672.000000 8
339.235367 2461230.000000 15
341.211759 1769884.500000 11
343.240610 1640820.000000 10
345.221108 1876938.000000 11
347.255359 2707353.000000 16
349.275811 2779389.000000 17
351.324687 5592795.000000 33
353.255698 2669334.000000 16
355.245812 2293146.000000 14
357.274799 1730865.000000 10
358.227355 892446.000000 5
359.234005 1688844.000000 10
361.240019 2115057.000000 13
363.241836 2463231.000000 15
364.265755 876438.000000 5
365.277410 2303151.000000 14
367.285352 1775887.500000 11
369.326996 2105052.000000 13
371.314083 2245122.000000 13
373.336464 1832916.000000 11
375.303337 2519259.000000 15
377.308143 3317658.000000 20
379.325916 1829914.500000 11
380.312796 844422.000000 5
381.298134 1500750.000000 9
383.314001 1300650.000000 8
385.365501 1029514.500000 6
387.324955 1122561.000000 7
389.331655 1112556.000000 7
391.378576 3091545.000000 18
393.329400 1517758.500000 9
394.335852 569284.500000 3
395.334532 1280640.000000 8
397.295283 1060530.000000 6
399.330744 1197598.500000 7
//