ACCESSION: MSBNK-PFOS_research_group-FFF00059
RECORD_TITLE: 1,4-Androstadiene-3,17-dione; LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+
DATE: 2016.01.19 (Created 2011.03.01)
AUTHORS: Atsushi Yamamoto
LICENSE: CC BY-SA
COPYRIGHT: PFOS.jp
COMMENT: Disclaimer: While authors make an effort to ensure that the content of this record is accurate, the authors make no representations or warranties in relation to the accuracy or completeness of the record. This record do not reflect any viewpoints of the affiliation and organization to which the authors belong.
CH$NAME: 1,4-Androstadiene-3,17-dione
CH$COMPOUND_CLASS: Natural Product; Anabolic Steroid
CH$FORMULA: C19H24O2
CH$EXACT_MASS: 284.17763
CH$SMILES: O=C(C=4)C=C(C3)C(C)(C4)C([H])(C2)C([H])(C3)C([H])(C1)C(C)(C2)C(=O)C1
CH$IUPAC: InChI=1S/C19H24O2/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/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
CH$LINK: CAS
897-06-3
CH$LINK: INCHIKEY
LUJVUUWNAPIQQI-QAGGRKNESA-N
CH$LINK: COMPTOX
DTXSID00862463
AC$INSTRUMENT: API2000
AC$INSTRUMENT_TYPE: LC-APPI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min
MS$FOCUSED_ION: BASE_PEAK 171.000000
MS$FOCUSED_ION: PRECURSOR_M/Z 267.300000
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-00di-1920000000-9967f8cfb367b47cc432
PK$NUM_PEAK: 227
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//
