MassBank Record: NGA00361



 Androst-5-ene-3,17-diol; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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 TCSRS, RIKEN, Okano ACSRS, RIKEN, CSRS, RIKEN
LICENSE: BY-CC
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: 290.44975000000005 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: PUBCHEM CID:194034 CH$LINK: INCHIKEY QADHLRWLCPCEKT-JRQDRJMYSA-N
AC$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 //