ACCESSION: MSBNK-RIKEN_NPDepo-NGA02645
RECORD_TITLE: Testosterone; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [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$SPLASH: splash10-052b-9800000000-93437ff4bc8f7220c41e
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  80.6 1.8 1
  80.7 3.03 3
  80.8 4.58 4
  80.9 6.05 6
  81.0 6.85 6
  81.1 6.78 6
  81.2 6.23 6
  81.3 5.54 5
  81.4 4.51 4
  81.5 2.89 2
  96.2 0.34 0
  96.3 1.39 1
  96.4 5.46 5
  96.5 13.38 13
  96.6 25.14 25
  96.7 40.75 40
  96.8 59.96 59
  96.9 79.89 79
  97.0 94.78 94
  97.1 100.0 99
  97.2 94.83 94
  97.3 80.26 80
  97.4 57.42 57
  97.5 30.74 30
  97.6 8.71 8
  97.7 0.0 0
  108.2 0.56 0
  108.3 1.7 1
  108.4 4.85 4
  108.5 10.84 10
  108.6 20.24 20
  108.7 33.61 33
  108.8 50.71 50
  108.9 68.8 68
  109.0 82.7 82
  109.1 88.28 88
  109.2 85.17 85
  109.3 74.67 74
  109.4 57.16 57
  109.5 34.57 34
  109.6 13.26 13
  109.7 0.77 0
  122.6 1.97 1
  122.7 3.12 3
  122.8 4.62 4
  122.9 6.26 6
  123.0 7.57 7
  123.1 8.13 8
  123.2 7.87 7
  123.3 6.9 6
  123.4 5.18 5
  123.5 2.95 2
//