ACCESSION: MSBNK-RIKEN_NPDepo-NGA02646
RECORD_TITLE: Testosterone; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [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$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-000b-8590000000-c03c38487c37a73415ce
PK$NUM_PEAK: 82
PK$PEAK: m/z int. rel.int.
  82.8 2.72 2
  82.9 3.82 3
  83.0 4.95 4
  83.1 5.66 5
  83.2 5.54 5
  83.3 4.49 4
  83.4 2.78 2
  96.2 0.45 0
  96.3 1.44 1
  96.4 4.57 4
  96.5 11.08 11
  96.6 22.36 22
  96.7 39.1 39
  96.8 59.8 59
  96.9 80.08 79
  97.0 94.29 94
  97.1 98.91 98
  97.2 94.13 94
  97.3 81.44 81
  97.4 61.45 61
  97.5 36.54 36
  97.6 13.58 13
  97.7 0.83 0
  108.3 1.57 1
  108.4 3.87 3
  108.5 8.35 8
  108.6 15.63 15
  108.7 26.36 26
  108.8 40.1 40
  108.9 53.7 53
  109.0 62.54 62
  109.1 64.3 64
  109.2 60.29 60
  109.3 52.18 52
  109.4 39.77 39
  109.5 23.79 23
  109.6 8.72 8
  109.7 0.39 0
  122.7 2.59 2
  122.8 3.97 3
  122.9 5.48 5
  123.0 6.62 6
  123.1 6.95 6
  123.2 6.4 6
  123.3 5.15 5
  123.4 3.45 3
  252.7 2.02 2
  252.8 3.47 3
  252.9 5.78 5
  253.0 8.66 8
  253.1 11.22 11
  253.2 12.69 12
  253.3 12.71 12
  253.4 11.14 11
  253.5 8.07 8
  253.6 4.28 4
  253.7 1.18 1
  270.7 1.38 1
  270.8 2.54 2
  270.9 4.36 4
  271.0 6.48 6
  271.1 8.27 8
  271.2 9.25 9
  271.3 9.12 9
  271.4 7.71 7
  271.5 5.2 5
  271.6 2.39 2
  288.4 0.87 0
  288.5 3.49 3
  288.6 8.46 8
  288.7 16.11 16
  288.8 27.44 27
  288.9 43.86 43
  289.0 64.57 64
  289.1 84.76 84
  289.2 97.94 97
  289.3 100.0 99
  289.4 89.57 89
  289.5 67.21 67
  289.6 37.93 37
  289.7 11.98 11
  289.8 0.0 0
//