MassBank Record: FFF00050



 1,4-Androstadiene-3,17-dione; LC-APPI-QQ; MS2; CE:60V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00050
RECORD_TITLE: 1,4-Androstadiene-3,17-dione; LC-APPI-QQ; MS2; CE:60V; [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 0.820833 min
MS$FOCUSED_ION: BASE_PEAK 91.099998 MS$FOCUSED_ION: PRECURSOR_M/Z 285.500000 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0096-7900000000-0e538c3554828587687d PK$NUM_PEAK: 267 PK$PEAK: m/z int. rel.int. 39.050000 14804.000000 1 41.037288 218359.000000 13 43.047554 680984.000000 42 44.400002 3701.000000 1 44.700001 1850.500000 1 45.057143 25907.000000 2 49.299999 1850.500000 1 50.250000 7402.000000 1 51.077777 49963.500000 3 51.900002 1850.500000 1 52.150000 11103.000000 1 52.568749 29608.000000 2 53.007547 98076.500000 6 53.799999 12953.500000 1 55.087710 1099197.000000 67 56.000000 5551.500000 1 56.299999 3701.000000 1 56.500000 5551.500000 1 56.856251 29608.000000 2 57.214286 25907.000000 2 58.799999 1850.500000 1 59.100000 5551.500000 1 59.400002 1850.500000 1 61.900002 1850.500000 1 62.799999 5551.500000 1 63.450001 3701.000000 1 63.900002 7402.000000 1 65.122143 518140.000000 32 67.084701 2322377.500000 142 68.099998 14804.000000 1 69.082927 303482.000000 19 70.000000 3701.000000 1 70.400002 7402.000000 1 71.220832 44412.000000 3 73.800003 1850.500000 1 74.199997 1850.500000 1 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