ACCESSION: MSBNK-RIKEN_NPDepo-CB000378
RECORD_TITLE: Testosterone; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Animal
COMMENT: SubCategory_DNP: The sterols, Androstanes

CH$NAME: Testosterone
CH$COMPOUND_CLASS: Steroids
CH$FORMULA: C₁₉H₂₈O₂
CH$EXACT_MASS: 288.4338
CH$SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O
CH$IUPAC: 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
CH$LINK: CAS 58-22-0
CH$LINK: CHEMSPIDER 5791
CH$LINK: INCHIKEY MUMGGOZAMZWBJJ-DYKIIFRCSA-N
CH$LINK: COMPTOX DTXSID8022371
CH$LINK: PUBCHEM CID:6013

AC$INSTRUMENT: ABSciex API3200 LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-000i-0091010000-c9a71425df79bbaee1f1
PK$NUM_PEAK: 102
PK$PEAK: m/z int. rel.int.
  108.5000 220409.6719 24
  108.6000 624953.7500 71
  108.7000 767721.5625 88
  108.8000 577223.1250 66
  108.9000 850666.6250 98
  109.0000 839423.5000 96
  109.1000 792965.6875 91
  109.2000 506157.3750 58
  109.3000 505520.9688 57
  109.4000 438061.5625 50
  109.5000 233774.2656 26
  252.6000 213409.2031 23
  252.7000 323507.9063 36
  252.8000 369541.5938 42
  252.9000 374420.6563 42
  253.0000 393513.0000 44
  253.1000 379936.1563 43
  253.2000 403907.5625 46
  253.3000 340478.8438 38
  253.4000 218288.3438 24
  253.5000 284050.5938 32
  270.7000 262200.5625 29
  270.8000 244805.3281 27
  270.9000 230592.2188 25
  271.0000 246502.4688 27
  271.1000 264321.9063 29
  271.2000 319053.0625 36
  271.3000 297415.1563 33
  271.4000 280656.3750 31
  288.4000 958856.3125 110
  288.5000 4686941.0000 545
  288.6000 7427955.5000 864
  288.7000 7951720.0000 926
  288.8000 8462120.0000 985
  288.9000 8172977.0000 951
  289.0000 7203727.0000 838
  289.1000 6166591.5000 717
  289.2000 8577521.0000 999
  289.3000 8434754.0000 982
  289.4000 8333987.5000 970
  289.5000 6160439.5000 717
  289.6000 4130083.0000 480
  289.7000 3445731.2500 400
  289.8000 3450823.0000 401
  289.9000 3547769.0000 412
  290.0000 3668049.7500 426
  290.1000 3526130.7500 410
  290.2000 3458035.2500 402
  290.3000 3353026.7500 389
  290.4000 2797442.0000 325
  290.5000 2683100.7500 311
  290.6000 1332216.2500 154
  290.7000 834544.5625 96
  290.8000 642136.6875 73
  290.9000 512733.5313 58
  291.0000 553675.9375 63
  291.1000 590587.5625 67
  291.2000 478155.3750 54
  291.3000 696867.9375 80
  291.4000 559827.9375 64
  291.5000 329235.5938 37
  291.6000 189225.6719 21
  329.5000 528007.3125 60
  329.6000 1041801.6250 120
  329.7000 1990051.1250 231
  329.8000 2341561.0000 271
  329.9000 2089967.6250 242
  330.0000 2272829.2500 263
  330.1000 2252251.7500 261
  330.2000 3123071.7500 363
  330.3000 1465013.8750 169
  330.4000 1423010.6250 164
  330.5000 1108412.5000 128
  330.6000 402846.9688 45
  330.7000 348964.3438 39
  330.8000 362328.9375 41
  330.9000 282777.7500 31
  331.0000 290838.9063 32
  331.1000 244593.2188 27
  331.2000 270261.7188 30
  331.3000 225500.9688 25
  331.5000 193892.6563 21
  576.6000 261564.1094 29
  576.7000 686897.6250 79
  576.8000 892245.4375 103
  576.9000 1033952.6875 119
  577.0000 1084016.7500 125
  577.1000 1222117.6250 141
  577.2000 1164204.3750 134
  577.3000 1280243.0000 148
  577.4000 911125.7500 105
  577.5000 863819.1875 99
  577.6000 433818.9063 49
  577.7000 455668.9375 52
  577.8000 496186.9375 56
  577.9000 457578.1250 52
  578.0000 509127.2813 58
  578.1000 540311.3125 61
  578.2000 580405.0625 66
  578.3000 554312.2500 63
  578.4000 470518.5000 53
  578.5000 429576.1250 49
//