MassBank Record: FFF00061



 1,4-Androstadiene-3,17-dione; LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00061
RECORD_TITLE: 1,4-Androstadiene-3,17-dione; LC-APPI-QQ; MS2; CE:10 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$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min
MS$FOCUSED_ION: BASE_PEAK 267.100006 MS$FOCUSED_ION: PRECURSOR_M/Z 267.300000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-014i-0090000000-696830f2bd076fad3e71 PK$NUM_PEAK: 144 PK$PEAK: m/z int. rel.int. 68.800003 1850.500000 1 79.199997 1850.500000 1 79.500000 1850.500000 1 80.300003 3701.000000 1 80.500000 1850.500000 1 80.800003 3701.000000 1 81.099998 3701.000000 1 81.300003 1850.500000 1 83.049999 3701.000000 1 90.800003 1850.500000 1 91.099998 1850.500000 1 92.750000 7402.000000 1 93.400002 1850.500000 1 94.724998 7402.000000 1 95.049999 22206.000000 1 95.350002 7402.000000 1 96.099998 1850.500000 1 102.099998 1850.500000 1 104.699997 1850.500000 1 105.049999 3701.000000 1 105.450001 3701.000000 1 106.000000 3701.000000 1 106.805882 62917.000000 1 107.187999 92525.000000 2 108.812503 14804.000000 1 109.224998 7402.000000 1 109.500000 1850.500000 1 111.199997 1850.500000 1 116.800003 1850.500000 1 118.099998 1850.500000 1 120.049999 3701.000000 1 120.850002 29608.000000 1 121.283335 44412.000000 1 121.699997 1850.500000 1 123.800003 1850.500000 1 130.600006 1850.500000 1 131.500000 1850.500000 1 132.699997 5551.500000 1 133.177782 16654.500000 1 134.199997 1850.500000 1 135.225002 29608.000000 1 142.800003 1850.500000 1 143.300003 1850.500000 1 144.000000 1850.500000 1 144.800003 3701.000000 1 145.000000 9252.500000 1 145.379999 18505.000000 1 145.899994 3701.000000 1 147.146235 344193.000000 8 147.800003 3701.000000 1 148.300003 1850.500000 1 148.899994 3701.000000 1 149.100006 1850.500000 1 154.800003 3701.000000 1 157.000000 7402.000000 1 157.899994 1850.500000 1 158.100006 3701.000000 1 158.399994 3701.000000 1 159.086458 177648.000000 4 159.899994 1850.500000 1 161.199997 25907.000000 1 162.199997 1850.500000 1 167.000000 1850.500000 1 168.899994 1850.500000 1 169.199997 14804.000000 1 169.600006 5551.500000 1 169.800003 7402.000000 1 171.032342 995569.000000 23 171.949997 7402.000000 1 173.153206 779060.500000 18 175.100006 9252.500000 1 175.300003 9252.500000 1 178.100006 1850.500000 1 180.750000 3701.000000 1 181.100006 1850.500000 1 183.050003 3701.000000 1 185.177272 40711.000000 1 185.800003 1850.500000 1 186.962498 14804.000000 1 187.199997 3701.000000 1 187.500000 7402.000000 1 188.699997 1850.500000 1 188.899994 1850.500000 1 190.000000 1850.500000 1 192.600006 1850.500000 1 193.500000 1850.500000 1 195.300003 1850.500000 1 197.199997 14804.000000 1 197.500000 3701.000000 1 198.300003 3701.000000 1 198.600006 1850.500000 1 198.800003 5551.500000 1 199.275002 7402.000000 1 199.699997 1850.500000 1 206.899994 3701.000000 1 207.300003 1850.500000 1 209.199997 7402.000000 1 210.100006 1850.500000 1 210.300003 1850.500000 1 211.322680 179498.500000 4 212.100006 5551.500000 1 212.699997 3701.000000 1 212.899994 1850.500000 1 213.300003 1850.500000 1 213.600006 1850.500000 1 215.399994 1850.500000 1 217.100006 3701.000000 1 220.500000 1850.500000 1 220.949997 3701.000000 1 221.500000 1850.500000 1 222.650002 7402.000000 1 223.100006 11103.000000 1 223.300003 3701.000000 1 224.200002 5551.500000 1 225.102633 70319.000000 2 225.750000 7402.000000 1 226.199997 1850.500000 1 230.600006 1850.500000 1 234.500000 1850.500000 1 235.033333 11103.000000 1 235.500000 7402.000000 1 236.699997 1850.500000 1 237.000000 1850.500000 1 238.199997 1850.500000 1 239.040001 37010.000000 1 248.500000 1850.500000 1 249.157144 25907.000000 1 249.583338 11103.000000 1 249.800003 1850.500000 1 250.100006 1850.500000 1 250.300003 1850.500000 1 250.600006 1850.500000 1 251.199997 1850.500000 1 251.500000 1850.500000 1 252.000000 9252.500000 1 252.316668 11103.000000 1 264.000000 1850.500000 1 264.200012 3701.000000 1 264.449997 7402.000000 1 264.799988 3701.000000 1 265.000000 3701.000000 1 267.233427 43290597.000000 999 284.899994 1850.500000 1 381.399994 3701.000000 1 //