MassBank Record: FFF00054



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

ACCESSION: FFF00054
RECORD_TITLE: 1,4-Androstadiene-3,17-dione; LC-APPI-QQ; MS2; CE:20 V; [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 0.820850 min
MS$FOCUSED_ION: BASE_PEAK 147.199997 MS$FOCUSED_ION: PRECURSOR_M/Z 285.500000 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00y1-0960000000-9c049fde9edd83e377b4 PK$NUM_PEAK: 272 PK$PEAK: m/z int. rel.int. 41.099998 1850.500000 1 42.200001 1850.500000 1 42.875001 7402.000000 1 43.500000 5551.500000 1 53.099998 1850.500000 1 54.400002 1850.500000 1 54.700001 3701.000000 1 54.900002 7402.000000 1 55.300000 9252.500000 1 57.299999 5551.500000 1 63.200001 1850.500000 1 65.300003 3701.000000 1 66.000000 1850.500000 1 66.199997 3701.000000 1 66.900002 16654.500000 1 67.099998 12953.500000 1 67.400002 11103.000000 1 68.649998 3701.000000 1 69.099998 7402.000000 1 69.500000 5551.500000 1 71.212498 14804.000000 1 71.599998 1850.500000 1 74.599998 1850.500000 1 76.300003 3701.000000 1 77.199997 20355.500000 1 77.800003 3701.000000 1 78.099998 1850.500000 1 78.731249 29608.000000 1 79.200001 55515.000000 2 79.866666 11103.000000 1 81.086777 447821.000000 15 82.942858 12953.500000 1 83.360002 18505.000000 1 84.000000 1850.500000 1 85.176664 55515.000000 2 89.400002 1850.500000 1 90.099998 1850.500000 1 90.425001 7402.000000 1 90.930001 74020.000000 2 92.066666 11103.000000 1 93.087302 466326.000000 16 93.800003 7402.000000 1 94.000000 5551.500000 1 95.035909 407110.000000 14 96.099998 1850.500000 1 96.800003 27757.500000 1 97.058332 44412.000000 1 98.000000 1850.500000 1 98.199997 3701.000000 1 98.821054 35159.500000 1 99.131816 40711.000000 1 100.800003 1850.500000 1 102.574999 7402.000000 1 102.950001 7402.000000 1 103.199997 1850.500000 1 103.450001 3701.000000 1 103.699997 1850.500000 1 103.900002 1850.500000 1 104.199997 3701.000000 1 104.863891 66618.000000 2 106.099998 31458.500000 1 107.038456 2661019.000000 90 109.060123 603263.000000 20 109.900002 1850.500000 1 110.099998 3701.000000 1 111.045370 199854.000000 7 113.149998 3701.000000 1 113.400002 1850.500000 1 114.000000 1850.500000 1 114.800003 1850.500000 1 115.099998 11103.000000 1 115.400002 1850.500000 1 115.599998 3701.000000 1 116.000000 5551.500000 1 116.450001 3701.000000 1 117.091667 44412.000000 1 118.000000 1850.500000 1 121.057738 19012037.000000 640 122.300003 7402.000000 1 122.910810 68468.500000 2 123.950001 3701.000000 1 124.199997 1850.500000 1 124.877780 66618.000000 2 125.314289 25907.000000 1 125.699997 1850.500000 1 126.000000 1850.500000 1 126.699997 1850.500000 1 126.900002 3701.000000 1 127.224998 7402.000000 1 127.500000 1850.500000 1 127.699997 1850.500000 1 128.199997 1850.500000 1 128.449997 3701.000000 1 128.899994 5551.500000 1 129.199997 5551.500000 1 129.575005 7402.000000 1 130.010002 18505.000000 1 131.086002 92525.000000 3 133.168255 932652.000000 31 135.070167 1339762.000000 45 135.899994 3701.000000 1 136.150002 3701.000000 1 137.000000 12953.500000 1 138.399994 1850.500000 1 138.962498 14804.000000 1 139.300003 9252.500000 1 139.600006 7402.000000 1 140.699997 1850.500000 1 140.899994 1850.500000 1 141.100006 3701.000000 1 141.600006 1850.500000 1 141.899994 1850.500000 1 142.300003 3701.000000 1 143.174999 14804.000000 1 143.424995 7402.000000 1 143.733332 11103.000000 1 145.196574 864183.500000 29 147.112543 29476614.500000 993 148.399994 9252.500000 1 149.170000 148040.000000 5 151.138923 5020406.500000 169 152.000000 5551.500000 1 152.800003 3701.000000 1 153.200000 9252.500000 1 153.800003 1850.500000 1 154.399994 3701.000000 1 155.200002 37010.000000 1 155.600006 3701.000000 1 156.199997 3701.000000 1 157.000000 25907.000000 1 157.314283 51814.000000 2 159.109468 2189141.500000 74 161.153571 518140.000000 17 161.949997 3701.000000 1 163.148486 122133.000000 4 163.899994 1850.500000 1 164.100006 1850.500000 1 164.300003 3701.000000 1 165.155356 207256.000000 7 166.100006 1850.500000 1 166.449997 3701.000000 1 166.800003 1850.500000 1 167.000000 1850.500000 1 167.300003 5551.500000 1 167.650002 3701.000000 1 168.000000 1850.500000 1 168.819995 18505.000000 1 169.100006 11103.000000 1 169.300003 11103.000000 1 169.620001 37010.000000 1 170.000000 20355.500000 1 171.045323 6924571.000000 233 173.137737 8767669.000000 295 173.899994 20355.500000 1 175.129629 199854.000000 7 177.189285 310884.000000 10 178.300003 3701.000000 1 178.800003 1850.500000 1 179.000000 7402.000000 1 179.250000 3701.000000 1 179.600006 1850.500000 1 180.000000 1850.500000 1 180.300003 1850.500000 1 180.849998 7402.000000 1 181.199997 9252.500000 1 182.000000 5551.500000 1 182.600006 1850.500000 1 183.157896 35159.500000 1 185.089436 490382.500000 17 186.300003 11103.000000 1 187.148112 392306.000000 13 188.000000 7402.000000 1 188.300003 11103.000000 1 189.099038 769808.000000 26 190.300003 1850.500000 1 190.600006 1850.500000 1 190.800003 1850.500000 1 191.000000 3701.000000 1 192.500000 3701.000000 1 192.977776 16654.500000 1 194.100006 3701.000000 1 194.300003 1850.500000 1 195.000000 5551.500000 1 195.399994 5551.500000 1 195.962498 14804.000000 1 196.212498 14804.000000 1 197.149284 386754.500000 13 198.000000 11103.000000 1 198.424995 7402.000000 1 199.167857 207256.000000 7 199.849998 14804.000000 1 200.100006 12953.500000 1 201.062500 88824.000000 3 201.428567 51814.000000 2 203.028573 51814.000000 2 203.500000 24056.500000 1 204.199997 1850.500000 1 204.899994 1850.500000 1 205.250000 7402.000000 1 206.942854 12953.500000 1 207.436361 20355.500000 1 208.000000 1850.500000 1 208.199997 1850.500000 1 208.650002 11103.000000 1 209.254547 20355.500000 1 211.155952 2176188.000000 73 212.056253 29608.000000 1 212.928121 59216.000000 2 213.333336 38860.500000 1 213.899994 3701.000000 1 214.374996 7402.000000 1 215.213332 416362.500000 14 215.899994 1850.500000 1 216.199997 3701.000000 1 217.000000 11103.000000 1 217.216665 22206.000000 1 219.199997 3701.000000 1 219.600006 1850.500000 1 219.899994 1850.500000 1 220.399994 1850.500000 1 220.750000 3701.000000 1 221.000000 7402.000000 1 222.899994 7402.000000 1 223.150002 14804.000000 1 223.500000 3701.000000 1 225.231662 701339.500000 24 227.273949 440419.000000 15 228.100006 5551.500000 1 229.173077 48113.000000 2 230.899994 1850.500000 1 234.600006 1850.500000 1 235.199997 1850.500000 1 236.699997 1850.500000 1 237.100006 5551.500000 1 237.349998 3701.000000 1 237.816668 11103.000000 1 239.226923 384904.000000 13 240.399994 5551.500000 1 241.180004 55515.000000 2 242.160004 9252.500000 1 243.295003 37010.000000 1 243.500000 29608.000000 1 246.399994 1850.500000 1 247.000000 1850.500000 1 249.400001 59216.000000 2 252.008334 22206.000000 1 253.075005 14804.000000 1 253.500000 1850.500000 1 254.800003 3701.000000 1 255.100006 1850.500000 1 255.899994 3701.000000 1 256.200002 5551.500000 1 256.500000 1850.500000 1 257.194117 62917.000000 2 261.399994 3701.000000 1 262.700012 1850.500000 1 262.899994 1850.500000 1 264.700012 3701.000000 1 265.080005 18505.000000 1 267.236639 27879633.000000 939 268.500000 12953.500000 1 269.200012 1850.500000 1 270.059095 40711.000000 1 280.100006 1850.500000 1 280.899994 5551.500000 1 282.100006 1850.500000 1 282.799988 3701.000000 1 283.200012 3701.000000 1 285.255759 29656113.000000 999 286.799988 7402.000000 1 287.100006 1850.500000 1 393.100006 1850.500000 1 //

MassBank | Copyright Line
Copyright © since 2006 MassBank Project
Copyright © since 2011 NORMAN Association
Copyright © since 2017 MassBank Consortium
Responsible: Dr. Tobias Schulze (tobias.schulze@ufz.de)