ACCESSION: MSBNK-RIKEN_NPDepo-NGA00364
RECORD_TITLE: Androst-5-ene-3,17-diol; 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$NAME: Androst-5-ene-3,17-diol
CH$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$SPLASH: splash10-006y-3910000000-dd793dfaba5eaa840e16
PK$NUM_PEAK: 128
PK$PEAK: m/z int. rel.int.
  55.0 4.4 4
  55.1 7.18 7
  55.2 9.53 9
  55.3 10.28 10
  55.4 8.91 8
  55.5 6.42 6
  66.4 2.7 2
  66.5 5.32 5
  66.6 9.77 9
  66.7 14.92 14
  66.8 19.56 19
  66.9 22.52 22
  67.0 22.23 22
  67.1 17.74 17
  67.2 10.83 10
  67.3 5.17 5
  68.9 3.95 3
  69.0 8.68 8
  69.1 13.14 13
  69.2 12.79 12
  69.3 8.07 8
  69.4 3.28 3
  80.5 2.83 2
  80.6 5.33 5
  80.7 11.71 11
  80.8 23.37 23
  80.9 38.02 37
  81.0 46.78 46
  81.1 40.91 40
  81.2 23.39 23
  81.3 7.41 7
  90.6 4.11 4
  90.7 7.36 7
  90.8 13.7 13
  90.9 20.02 19
  91.0 21.4 21
  91.1 16.16 16
  91.2 8.12 8
  94.6 3.88 3
  94.7 7.85 7
  94.8 14.22 14
  94.9 21.15 21
  95.0 24.68 24
  95.1 21.99 21
  95.2 15.1 15
  95.3 9.13 9
  95.4 6.64 6
  95.5 5.84 5
  118.5 3.99 3
  118.6 5.14 5
  118.7 9.14 9
  118.8 16.74 16
  118.9 24.01 23
  119.0 25.06 25
  119.1 18.57 18
  119.2 9.37 9
  119.3 3.0 2
  130.5 2.88 2
  130.6 5.11 5
  130.7 8.28 8
  130.8 10.92 10
  130.9 11.21 11
  131.0 8.89 8
  131.1 5.95 5
  144.4 0.56 0
  144.5 8.66 8
  144.6 28.12 28
  144.7 55.24 55
  144.8 79.92 79
  144.9 93.32 93
  145.0 91.68 91
  145.1 74.92 74
  145.2 47.97 47
  145.3 21.57 21
  145.4 5.59 5
  146.5 2.8 2
  146.6 6.14 6
  146.7 12.46 12
  146.8 20.43 20
  146.9 26.2 26
  147.0 27.39 27
  147.1 26.24 26
  147.2 25.48 25
  147.3 23.47 23
  147.4 17.32 17
  147.5 8.79 8
  156.7 3.32 3
  156.8 8.39 8
  156.9 16.55 16
  157.0 24.43 24
  157.1 26.93 26
  157.2 21.67 21
  157.3 12.23 12
  157.4 5.13 5
  158.4 5.45 5
  158.5 8.7 8
  158.6 12.63 12
  158.7 15.12 15
  158.8 15.31 15
  158.9 13.55 13
  172.5 1.84 1
  172.6 5.75 5
  172.7 16.43 16
  172.8 32.54 32
  172.9 47.47 47
  173.0 53.72 53
  173.1 48.46 48
  173.2 34.85 34
  173.3 19.3 19
  173.4 7.71 7
  198.7 3.86 3
  198.8 9.17 9
  198.9 18.5 18
  199.0 27.74 27
  199.1 30.67 30
  199.2 24.17 24
  199.3 12.31 12
  199.4 2.99 2
  254.7 1.92 1
  254.8 3.51 3
  254.9 7.52 7
  255.0 16.48 16
  255.1 30.93 30
  255.2 44.72 44
  255.3 47.55 47
  255.4 35.7 35
  255.5 17.41 17
  255.6 4.25 4
//