ACCESSION: MSBNK-RIKEN_NPDepo-NGA02647
RECORD_TITLE: Testosterone; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [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$SPLASH: splash10-000i-1190000000-10c6c1fe1d296ab210f7
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  96.4 0.9 0
  96.5 2.23 2
  96.6 4.72 4
  96.7 8.51 8
  96.8 13.17 13
  96.9 17.61 17
  97.0 20.47 20
  97.1 21.12 21
  97.2 19.83 19
  97.3 16.91 16
  97.4 12.37 12
  97.5 6.85 6
  97.6 2.12 2
  108.5 1.63 1
  108.6 2.86 2
  108.7 4.67 4
  108.8 7.19 7
  108.9 10.04 10
  109.0 12.25 12
  109.1 12.95 12
  109.2 12.15 12
  109.3 10.26 10
  109.4 7.46 7
  109.5 4.09 4
  109.6 1.18 1
  288.4 0.75 0
  288.5 3.26 3
  288.6 8.32 8
  288.7 16.35 16
  288.8 28.55 28
  288.9 46.28 46
  289.0 67.9 67
  289.1 87.51 87
  289.2 99.0 98
  289.3 100.0 99
  289.4 90.14 90
  289.5 69.2 69
  289.6 40.76 40
  289.7 14.47 14
  289.8 0.41 0
//