ACCESSION: MSBNK-RIKEN_NPDepo-NGA02648
RECORD_TITLE: Testosterone; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [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$SPLASH: splash10-000i-0090000000-269fcd4cc6f1ece7b8d1
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  288.4 0.75 0
  288.5 3.38 3
  288.6 8.3 8
  288.7 16.03 16
  288.8 28.21 28
  288.9 46.25 46
  289.0 68.07 68
  289.1 87.65 87
  289.2 99.15 99
  289.3 100.0 99
  289.4 89.28 89
  289.5 67.01 66
  289.6 37.87 37
  289.7 12.16 12
  289.8 0.0 0
//