ACCESSION: MSBNK-RIKEN_NPDepo-NGA00363
RECORD_TITLE: Androst-5-ene-3,17-diol; 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$NAME: Androst-5-ene-3,17-diol
CH$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$SPLASH: splash10-0a4i-0590000000-89b289187f7a7b63217f
PK$NUM_PEAK: 73
PK$PEAK: m/z int. rel.int.
  120.5 3.89 3
  120.6 6.1 6
  120.7 12.41 12
  120.8 21.25 21
  120.9 26.62 26
  121.0 23.42 23
  121.1 13.92 13
  121.2 5.59 5
  132.8 5.16 5
  132.9 8.43 8
  133.0 13.24 13
  133.1 16.58 16
  133.2 15.6 15
  133.3 10.89 10
  133.4 6.16 6
  158.8 6.92 6
  158.9 9.07 9
  159.0 11.19 11
  159.1 12.1 12
  159.2 11.41 11
  159.3 9.51 9
  159.4 7.14 7
  160.4 4.74 4
  160.5 7.55 7
  160.6 10.83 10
  160.7 12.35 12
  160.8 11.23 11
  160.9 9.43 9
  161.0 9.47 9
  161.1 11.03 11
  161.2 11.39 11
  161.3 9.26 9
  172.5 5.45 5
  172.6 8.12 8
  172.7 11.92 11
  172.8 16.67 16
  172.9 21.34 21
  173.0 23.06 23
  173.1 19.61 19
  173.2 12.71 12
  173.3 6.82 6
  200.5 4.38 4
  200.6 5.88 5
  200.7 10.38 10
  200.8 17.5 17
  200.9 23.52 23
  201.0 23.6 23
  201.1 17.02 17
  201.2 8.65 8
  254.7 7.99 7
  254.8 9.02 9
  254.9 15.85 15
  255.0 36.04 36
  255.1 69.48 69
  255.2 98.32 98
  255.3 98.44 98
  255.4 66.38 66
  255.5 25.75 25
  255.6 4.15 4
  272.7 4.56 4
  272.8 6.98 6
  272.9 14.36 14
  273.0 23.81 23
  273.1 28.26 28
  273.2 23.89 23
  273.3 14.45 14
  273.4 6.78 6
  290.7 7.12 7
  290.8 9.72 9
  290.9 12.94 12
  291.0 14.64 14
  291.1 13.26 13
  291.2 9.68 9
//