ACCESSION: MSBNK-RIKEN_NPDepo-NGA00361
RECORD_TITLE: Androst-5-ene-3,17-diol; 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$NAME: Androst-5-ene-3,17-diol
CH$COMPOUND_CLASS: Steroids
CH$FORMULA: C₁₉H₃₀O₂
CH$EXACT_MASS: 290.4498
CH$SMILES: C[C@]12CCC3C(CC=C4CC(O)CC[C@@]43C)C1CCC2O
CH$IUPAC: InChI=1S/C19H30O2/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/h3,13-17,20-21H,4-11H2,1-2H3/t13?,14?,15?,16?,17?,18-,19-/m0/s1
CH$LINK: CAS 19793-20-5
CH$LINK: CHEMSPIDER 194034
CH$LINK: INCHIKEY QADHLRWLCPCEKT-JRQDRJMYSA-N
CH$LINK: PUBCHEM CID:44135378

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$SPLASH: splash10-0a4l-0090000000-231b077ad079335349ff
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  254.3 1.91 1
  254.4 3.3 3
  254.5 8.68 8
  254.6 17.7 17
  254.7 26.29 26
  254.8 31.94 31
  254.9 38.32 38
  255.0 52.68 52
  255.1 76.53 76
  255.2 98.05 97
  255.3 98.14 98
  255.4 70.19 70
  255.5 30.62 30
  255.6 4.13 4
  272.4 1.89 1
  272.5 3.57 3
  272.6 8.11 8
  272.7 15.52 15
  272.8 24.13 24
  272.9 31.67 31
  273.0 36.43 36
  273.1 36.97 36
  273.2 32.19 32
  273.3 22.85 22
  273.4 12.35 12
  273.5 4.63 4
  290.4 1.79 1
  290.5 3.87 3
  290.6 8.51 8
  290.7 18.92 18
  290.8 36.03 35
  290.9 54.34 54
  291.0 65.59 65
  291.1 67.58 67
  291.2 63.51 63
  291.3 54.17 54
  291.4 38.44 38
  291.5 20.01 19
  291.6 6.25 6
//