MassBank Record: FFF00053



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

ACCESSION: FFF00053
RECORD_TITLE: 1,4-Androstadiene-3,17-dione; LC-APPI-QQ; MS2; CE:30 V
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$CHROMATOGRAPHY: RETENTION_TIME 0.820883 min
MS$FOCUSED_ION: BASE_PEAK 147.000000 MS$FOCUSED_ION: PRECURSOR_M/Z 285.500000 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00dj-0910000000-004b73c2f16c9747052b PK$NUM_PEAK: 262 PK$PEAK: m/z int. rel.int. 38.299999 1850.500000 1 39.099998 1850.500000 1 41.099998 5551.500000 1 41.500000 1850.500000 1 42.400002 3701.000000 1 43.043750 59216.000000 2 44.799999 1850.500000 1 45.299999 1850.500000 1 50.500000 1850.500000 1 50.799999 1850.500000 1 51.200001 1850.500000 1 52.099998 3701.000000 1 53.799999 1850.500000 1 54.250000 3701.000000 1 54.933334 33309.000000 1 55.231818 40711.000000 1 55.850000 3701.000000 1 56.299999 1850.500000 1 56.650000 3701.000000 1 56.900002 7402.000000 1 57.330000 18505.000000 1 58.950001 3701.000000 1 59.299999 1850.500000 1 62.099998 1850.500000 1 64.500000 1850.500000 1 64.724998 7402.000000 1 65.699997 1850.500000 1 65.900002 1850.500000 1 67.055952 310884.000000 9 67.900002 1850.500000 1 68.266668 11103.000000 1 68.599998 3701.000000 1 68.956001 46262.500000 1 69.199997 27757.500000 1 69.699997 5551.500000 1 69.900002 1850.500000 1 70.400002 5551.500000 1 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