ACCESSION: MSBNK-RIKEN_NPDepo-NGA00362
RECORD_TITLE: Androst-5-ene-3,17-diol; 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$NAME: Androst-5-ene-3,17-diol
CH$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$SPLASH: splash10-0a4i-0290000000-699e9e7b6fdfdea7ab60
PK$NUM_PEAK: 80
PK$PEAK: m/z int. rel.int.
  80.5 4.73 4
  80.6 6.06 6
  80.7 10.3 10
  80.8 17.68 17
  80.9 24.47 24
  81.0 25.19 25
  81.1 18.51 18
  81.2 9.29 9
  81.3 3.38 3
  158.3 3.89 3
  158.4 5.16 5
  158.5 7.51 7
  158.6 11.94 11
  158.7 19.39 19
  158.8 27.3 27
  158.9 29.68 29
  159.0 23.61 23
  159.1 13.42 13
  159.2 5.93 5
  172.4 4.09 4
  172.5 6.74 6
  172.6 12.22 12
  172.7 19.5 19
  172.8 24.19 24
  172.9 22.22 22
  173.0 14.83 14
  173.1 7.55 7
  173.2 4.08 4
  174.9 4.19 4
  175.0 5.46 5
  175.1 6.41 6
  175.2 6.07 6
  200.7 4.96 4
  200.8 5.73 5
  200.9 6.88 6
  201.0 7.56 7
  201.1 7.55 7
  201.2 7.79 7
  201.3 8.58 8
  201.4 8.62 8
  201.5 7.0 6
  254.2 3.02 3
  254.3 5.2 5
  254.4 11.55 11
  254.5 23.45 23
  254.6 38.9 38
  254.7 52.53 52
  254.8 61.97 61
  254.9 70.07 69
  255.0 79.14 79
  255.1 88.64 88
  255.2 96.87 96
  255.3 97.54 97
  255.4 80.65 80
  255.5 46.98 46
  255.6 14.37 14
  255.7 0.0 0
  272.3 3.6 3
  272.4 4.67 4
  272.5 8.45 8
  272.6 16.93 16
  272.7 28.24 28
  272.8 36.84 36
  272.9 39.02 38
  273.0 35.94 35
  273.1 30.24 30
  273.2 22.96 22
  273.3 15.01 14
  273.4 8.5 8
  273.5 4.99 4
  290.7 3.77 3
  290.8 5.52 5
  290.9 10.0 9
  291.0 18.6 18
  291.1 29.92 29
  291.2 37.77 37
  291.3 35.61 35
  291.4 24.05 24
  291.5 11.13 11
  291.6 3.92 3
//