MassBank Record: FFF00060



 1,4-Androstadiene-3,17-dione; LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00060
RECORD_TITLE: 1,4-Androstadiene-3,17-dione; LC-APPI-QQ; MS2; CE:20 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 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$FOCUSED_ION: BASE_PEAK 267.200012 MS$FOCUSED_ION: PRECURSOR_M/Z 267.300000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-014i-0790000000-0d6677503a198b1035c0 PK$NUM_PEAK: 238 PK$PEAK: m/z int. rel.int. 42.700001 1850.500000 1 43.200001 1850.500000 1 53.099998 1850.500000 1 54.900002 1850.500000 1 55.099998 3701.000000 1 65.400002 1850.500000 1 66.000000 1850.500000 1 66.400002 1850.500000 1 66.800003 9252.500000 1 67.074999 7402.000000 1 67.350002 11103.000000 1 68.350002 3701.000000 1 69.000000 5551.500000 1 69.350002 3701.000000 1 69.900002 1850.500000 1 70.199997 1850.500000 1 71.300003 1850.500000 1 73.000000 5551.500000 1 76.699997 5551.500000 1 77.000000 3701.000000 1 77.300003 3701.000000 1 77.500000 1850.500000 1 77.900002 1850.500000 1 78.300003 1850.500000 1 79.077777 49963.500000 2 80.199997 9252.500000 1 81.081513 220209.500000 9 82.950001 7402.000000 1 83.300003 5551.500000 1 83.800003 1850.500000 1 84.699997 1850.500000 1 85.300003 3701.000000 1 87.199997 1850.500000 1 89.199997 1850.500000 1 89.599998 1850.500000 1 89.800003 1850.500000 1 90.000000 1850.500000 1 90.400002 7402.000000 1 90.844446 33309.000000 1 93.011905 155442.000000 7 95.033553 562552.000000 24 95.950001 3701.000000 1 97.199997 3701.000000 1 97.400002 3701.000000 1 98.950001 7402.000000 1 101.900002 1850.500000 1 103.000000 5551.500000 1 104.099998 7402.000000 1 104.500000 5551.500000 1 104.843752 29608.000000 1 105.099998 22206.000000 1 105.350002 33309.000000 1 105.900002 22206.000000 1 107.033520 2638813.000000 113 109.047487 331239.500000 14 110.300003 1850.500000 1 110.649998 3701.000000 1 111.199997 1850.500000 1 112.699997 1850.500000 1 114.400002 1850.500000 1 114.699997 1850.500000 1 114.900002 1850.500000 1 115.149998 3701.000000 1 115.900002 1850.500000 1 116.099998 3701.000000 1 116.450001 3701.000000 1 117.099998 7402.000000 1 118.500000 3701.000000 1 118.857144 12953.500000 1 119.244444 33309.000000 1 119.825001 14804.000000 1 120.280002 18505.000000 1 121.087087 1117702.000000 48 121.900002 5551.500000 1 122.099998 1850.500000 1 122.949999 11103.000000 1 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186.300003 3701.000000 1 187.495454 40711.000000 2 189.100006 5551.500000 1 189.325001 7402.000000 1 191.000000 1850.500000 1 191.399994 3701.000000 1 192.000000 3701.000000 1 192.399994 1850.500000 1 192.600006 1850.500000 1 192.899994 14804.000000 1 193.116671 11103.000000 1 193.399994 9252.500000 1 193.849998 3701.000000 1 194.399994 1850.500000 1 195.500000 5551.500000 1 195.859998 18505.000000 1 196.100006 9252.500000 1 196.500000 3701.000000 1 197.169334 277575.000000 12 198.025002 7402.000000 1 198.300003 5551.500000 1 199.172729 122133.000000 5 200.825001 7402.000000 1 201.474998 7402.000000 1 203.800003 1850.500000 1 204.000000 1850.500000 1 204.800003 1850.500000 1 205.199997 3701.000000 1 205.899994 1850.500000 1 206.799998 5551.500000 1 207.174999 7402.000000 1 207.462498 14804.000000 1 207.800003 1850.500000 1 208.000000 1850.500000 1 208.500000 1850.500000 1 208.900002 14804.000000 1 209.399994 11103.000000 1 210.000000 16654.500000 1 211.126650 1513709.000000 65 211.800003 12953.500000 1 212.370831 44412.000000 2 213.150002 3701.000000 1 213.399994 3701.000000 1 216.600006 1850.500000 1 218.800003 1850.500000 1 219.000000 1850.500000 1 219.500000 1850.500000 1 219.750000 3701.000000 1 220.600006 5551.500000 1 220.979999 18505.000000 1 221.325001 7402.000000 1 221.600006 1850.500000 1 222.349998 3701.000000 1 222.699997 7402.000000 1 223.483332 11103.000000 1 224.000000 11103.000000 1 224.424995 7402.000000 1 225.231896 214658.000000 9 226.500000 7402.000000 1 226.699997 1850.500000 1 231.100006 1850.500000 1 231.349998 3701.000000 1 233.750000 3701.000000 1 234.050003 7402.000000 1 235.100006 14804.000000 1 235.399994 12953.500000 1 235.899994 1850.500000 1 237.000000 5551.500000 1 237.349998 7402.000000 1 239.228447 214658.000000 9 247.600006 1850.500000 1 248.600006 5551.500000 1 249.300003 35159.500000 2 249.546157 48113.000000 2 250.100006 7402.000000 1 250.300003 3701.000000 1 250.625004 7402.000000 1 251.966665 33309.000000 1 252.283335 33309.000000 1 262.600006 1850.500000 1 264.650009 3701.000000 1 265.399994 11103.000000 1 267.227794 23316300.000000 999 270.799988 1850.500000 1 //

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