MassBank Record: FFF00059



 1,4-Androstadiene-3,17-dione; LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00059
RECORD_TITLE: 1,4-Androstadiene-3,17-dione; LC-APPI-QQ; MS2; CE:30 V; [M-H2O+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
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 PK$PEAK: m/z int. rel.int. 38.599998 1850.500000 1 38.799999 1850.500000 1 39.200001 1850.500000 1 40.500000 1850.500000 1 40.900002 9252.500000 1 41.200001 9252.500000 1 41.400002 5551.500000 1 42.099998 1850.500000 1 42.900002 31458.500000 1 43.900002 1850.500000 1 44.800001 5551.500000 1 50.099998 3701.000000 1 51.000000 3701.000000 1 51.599998 3701.000000 1 52.400002 1850.500000 1 52.650000 3701.000000 1 53.000000 11103.000000 1 53.299999 3701.000000 1 53.500000 3701.000000 1 54.099998 1850.500000 1 54.299999 11103.000000 1 55.066356 198003.500000 2 55.900002 1850.500000 1 56.599998 3701.000000 1 57.168750 29608.000000 1 59.000000 1850.500000 1 59.299999 3701.000000 1 64.000000 3701.000000 1 64.699997 16654.500000 1 65.160000 74020.000000 1 67.120257 2302022.000000 22 68.099998 16654.500000 1 69.082418 673582.000000 7 70.500000 1850.500000 1 70.699997 5551.500000 1 71.000000 9252.500000 1 71.425001 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