MassBank Record: FFF00055



 1,4-Androstadiene-3,17-dione; LC-APPI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00055
RECORD_TITLE: 1,4-Androstadiene-3,17-dione; LC-APPI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (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$FOCUSED_ION: BASE_PEAK 285.200012 MS$FOCUSED_ION: PRECURSOR_M/Z 285.500000 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-0090000000-59ad5b9288fa52be718c PK$NUM_PEAK: 215 PK$PEAK: m/z int. rel.int. 71.000000 1850.500000 1 78.900002 1850.500000 1 79.149998 3701.000000 1 80.700000 9252.500000 1 81.099998 3701.000000 1 81.500000 1850.500000 1 83.099998 1850.500000 1 85.000000 7402.000000 1 85.199997 5551.500000 1 85.500000 1850.500000 1 91.000000 5551.500000 1 91.500000 1850.500000 1 93.074999 7402.000000 1 93.500000 1850.500000 1 94.740001 9252.500000 1 95.133331 11103.000000 1 95.599998 1850.500000 1 96.900002 1850.500000 1 97.199997 1850.500000 1 99.000000 1850.500000 1 99.199997 3701.000000 1 105.000000 3701.000000 1 105.199997 1850.500000 1 105.649998 3701.000000 1 106.992392 170246.000000 2 108.199997 3701.000000 1 108.400002 1850.500000 1 109.135294 31458.500000 1 110.833333 11103.000000 1 111.340001 9252.500000 1 111.699997 1850.500000 1 114.099998 1850.500000 1 115.400002 1850.500000 1 119.000000 25907.000000 1 119.900002 9252.500000 1 120.099998 12953.500000 1 121.073373 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