MassBank Record: FFF00228



 Dihydrotestosterone; LC-APPI-QQ; MS2; CE:30 V; [M+CH3]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00228
RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:30 V; [M+CH3]+
DATE: 2016.01.19 (2011.04.05, 2011.06.20)
AUTHORS: , Atsushi Yamamoto, PFOS.jp
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$NAME: Dihydrotestosterone CH$COMPOUND_CLASS: Natural Product; Steroid hormone CH$FORMULA: C19H30O2 CH$EXACT_MASS: 290.22458 CH$SMILES: O=C(C4)CC([H])(C3)C(C)(C4)C(C2)C(C3)C(C1)C(C)(C2)C(O)C1 CH$IUPAC: InChI=1S/C19H30O2/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/h12,14-17,21H,3-11H2,1-2H3/t12-,14?,15?,16?,17-,18?,19?/m0/s1 CH$LINK: CAS 521-18-6 CH$LINK: LIPIDBANK SST0297 CH$LINK: INCHIKEY NVKAWKQGWWIWPM-FMFZMMAASA-N
AC$INSTRUMENT: API2000 AC$INSTRUMENT_TYPE: LC-APPI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min
MS$FOCUSED_ION: BASE_PEAK 185.199997 MS$FOCUSED_ION: PRECURSOR_M/Z 305.400000 MS$FOCUSED_ION: PRECURSOR_TYPE [M+CH3]+
PK$SPLASH: splash10-0a4i-4951000000-b892f0740101cfe89fdb PK$NUM_PEAK: 327 PK$PEAK: m/z int. rel.int. 38.900002 1500.500000 1 40.500000 3001.000000 1 40.900002 1500.500000 1 42.700001 1500.500000 1 43.000000 6002.000000 1 44.400002 1500.500000 1 44.799999 3001.000000 1 45.200001 1500.500000 1 45.400002 1500.500000 1 53.000000 1500.500000 1 53.200001 1500.500000 1 53.700001 1500.500000 1 54.599998 3001.000000 1 55.063637 49516.500000 11 56.799999 4501.500000 1 57.275000 6002.000000 1 59.025000 6002.000000 1 59.299999 6002.000000 1 65.199997 3001.000000 1 67.122414 87029.000000 19 68.000000 1500.500000 1 68.300003 1500.500000 1 68.883335 18006.000000 4 69.281252 24008.000000 5 69.750000 3001.000000 1 70.199997 1500.500000 1 70.599998 12004.000000 3 71.146152 39013.000000 9 71.599998 1500.500000 1 72.500000 1500.500000 1 72.900002 9003.000000 2 73.099998 7502.500000 2 75.599998 1500.500000 1 76.599998 3001.000000 1 77.000000 10503.500000 2 77.199997 9003.000000 2 78.000000 3001.000000 1 79.028001 112537.500000 25 81.143089 1204901.500000 263 82.000000 3001.000000 1 82.300003 4501.500000 1 83.078378 111037.000000 24 85.065885 2559853.000000 558 86.099998 1500.500000 1 89.699997 1500.500000 1 89.900002 1500.500000 1 90.099998 6002.000000 1 91.080769 156052.000000 34 91.840001 7502.500000 2 93.038589 361620.500000 79 95.060162 745748.500000 163 96.099998 3001.000000 1 97.095162 186062.000000 41 97.900002 1500.500000 1 98.199997 1500.500000 1 99.022222 13504.500000 3 102.000000 3001.000000 1 102.300003 1500.500000 1 102.800003 1500.500000 1 103.000000 1500.500000 1 103.599998 3001.000000 1 104.149998 12004.000000 3 105.029974 580693.500000 127 107.058642 729243.000000 159 107.699997 7502.500000 2 108.000000 7502.500000 2 109.092000 525175.000000 115 110.000000 6002.000000 1 110.462501 12004.000000 3 111.142372 88529.500000 19 111.800003 1500.500000 1 112.300003 4501.500000 1 112.500000 3001.000000 1 112.800003 10503.500000 2 113.400002 12004.000000 3 113.599998 1500.500000 1 113.900002 1500.500000 1 114.699997 1500.500000 1 115.000000 4501.500000 1 115.300001 4501.500000 1 115.599998 3001.000000 1 116.300003 4501.500000 1 117.231579 57019.000000 12 118.236365 16505.500000 4 119.067829 387129.000000 84 120.000000 12004.000000 3 121.110294 408136.000000 89 122.216665 9003.000000 2 123.042424 99033.000000 22 123.900002 1500.500000 1 124.149998 3001.000000 1 124.649998 9003.000000 2 125.150000 24008.000000 5 126.000000 1500.500000 1 127.599998 3001.000000 1 128.100006 1500.500000 1 129.022223 27009.000000 6 130.239999 15005.000000 3 131.111697 256585.500000 56 132.025000 12004.000000 3 133.138890 432144.000000 94 134.100006 4501.500000 1 134.300003 9003.000000 2 135.152175 345115.000000 75 137.118890 135045.000000 29 138.000000 3001.000000 1 138.600006 1500.500000 1 138.800003 4501.500000 1 139.214288 21007.000000 5 140.699997 3001.000000 1 141.000000 1500.500000 1 141.300003 3001.000000 1 141.699997 1500.500000 1 142.100006 4501.500000 1 142.449997 12004.000000 3 143.036844 57019.000000 12 143.305558 27009.000000 6 143.800003 13504.500000 3 144.076474 25508.500000 6 145.079278 1122374.000000 245 145.899994 10503.500000 2 147.170784 765255.000000 167 148.100006 3001.000000 1 148.300003 1500.500000 1 149.146020 169556.500000 37 150.800003 3001.000000 1 151.179999 30010.000000 7 152.500000 1500.500000 1 152.800003 3001.000000 1 153.374996 6002.000000 1 154.500000 1500.500000 1 154.800003 3001.000000 1 155.399994 1500.500000 1 155.600006 1500.500000 1 156.000000 4501.500000 1 157.120002 75025.000000 16 158.100006 10503.500000 2 159.113931 1389463.000000 303 161.140842 925808.500000 202 162.199997 6002.000000 1 163.193136 153051.000000 33 163.899994 1500.500000 1 164.100006 4501.500000 1 164.349998 3001.000000 1 165.127778 54018.000000 12 166.199997 1500.500000 1 166.500000 1500.500000 1 166.949997 6002.000000 1 167.800003 1500.500000 1 168.199997 3001.000000 1 168.399994 1500.500000 1 168.750000 6002.000000 1 169.150002 3001.000000 1 169.733332 9003.000000 2 170.000000 4501.500000 1 170.300003 7502.500000 2 171.108840 271590.500000 59 171.800003 7502.500000 2 173.194889 880793.500000 192 174.100006 1500.500000 1 175.174444 270090.000000 59 176.300003 3001.000000 1 176.500000 6002.000000 1 176.783335 27009.000000 6 177.234782 138046.000000 30 178.100006 1500.500000 1 178.300003 1500.500000 1 178.800003 6002.000000 1 179.122223 27009.000000 6 179.800003 1500.500000 1 181.199997 3001.000000 1 182.100006 4501.500000 1 182.699997 1500.500000 1 182.959998 7502.500000 2 183.699997 6002.000000 1 183.959998 15005.000000 3 185.167876 579193.000000 126 185.984614 19506.500000 4 187.160319 189063.000000 41 188.000000 3001.000000 1 189.243038 237079.000000 52 190.000000 1500.500000 1 190.399994 6002.000000 1 191.090248 61520.500000 13 192.500000 1500.500000 1 193.233332 9003.000000 2 193.500000 1500.500000 1 194.100006 3001.000000 1 194.300003 1500.500000 1 194.899994 1500.500000 1 195.300003 6002.000000 1 196.266668 9003.000000 2 196.899994 4501.500000 1 197.236364 16505.500000 4 197.550003 3001.000000 1 197.937501 24008.000000 5 199.201680 892797.500000 195 201.180033 916805.500000 200 202.399994 1500.500000 1 203.173685 57019.000000 12 203.899994 1500.500000 1 204.150002 3001.000000 1 205.000000 13504.500000 3 205.264287 21007.000000 5 206.000000 1500.500000 1 206.399994 1500.500000 1 206.800003 4501.500000 1 207.100006 6002.000000 1 209.100006 6002.000000 1 209.300003 3001.000000 1 209.500000 1500.500000 1 209.899994 3001.000000 1 210.300003 3001.000000 1 210.899994 7502.500000 2 211.899994 4501.500000 1 212.399994 9003.000000 2 213.244864 438146.000000 96 214.260004 15005.000000 3 215.221259 762254.000000 166 216.199997 6002.000000 1 216.399994 1500.500000 1 217.194446 108036.000000 24 218.000000 4501.500000 1 218.199997 4501.500000 1 218.699997 1500.500000 1 219.000000 4501.500000 1 219.199997 3001.000000 1 219.500000 3001.000000 1 220.000000 1500.500000 1 221.199997 3001.000000 1 221.500000 3001.000000 1 222.100006 1500.500000 1 222.399994 1500.500000 1 222.899994 1500.500000 1 223.100006 1500.500000 1 223.300003 1500.500000 1 225.000000 4501.500000 1 225.299998 4501.500000 1 226.000000 6002.000000 1 226.360001 15005.000000 3 227.290699 129043.000000 28 228.000000 3001.000000 1 229.242106 256585.500000 56 230.399994 1500.500000 1 231.200001 91530.500000 20 232.000000 1500.500000 1 232.199997 1500.500000 1 233.225000 186062.000000 41 234.100001 4501.500000 1 234.449997 3001.000000 1 234.800003 1500.500000 1 235.199997 3001.000000 1 235.500000 1500.500000 1 237.550003 3001.000000 1 238.199997 1500.500000 1 239.300003 1500.500000 1 239.800003 3001.000000 1 240.000000 7502.500000 2 240.412495 12004.000000 3 241.399994 1500.500000 1 243.000000 6002.000000 1 243.600006 3001.000000 1 243.949997 3001.000000 1 244.299998 4501.500000 1 245.214284 21007.000000 5 245.849998 3001.000000 1 246.300003 1500.500000 1 246.500000 3001.000000 1 247.000000 4501.500000 1 247.399994 3001.000000 1 247.800003 1500.500000 1 248.250000 3001.000000 1 248.699997 3001.000000 1 248.899994 1500.500000 1 249.300003 4501.500000 1 249.500000 6002.000000 1 249.699997 1500.500000 1 250.800003 1500.500000 1 251.100006 1500.500000 1 251.399994 1500.500000 1 252.800003 1500.500000 1 253.250000 9003.000000 2 254.000000 7502.500000 2 255.321691 4579526.000000 999 256.550003 3001.000000 1 257.500000 4501.500000 1 257.799988 1500.500000 1 258.100006 1500.500000 1 258.449997 6002.000000 1 258.949997 6002.000000 1 259.200012 6002.000000 1 259.399994 3001.000000 1 261.000000 3001.000000 1 261.225006 6002.000000 1 261.899994 6002.000000 1 262.200002 9003.000000 2 262.500000 3001.000000 1 262.899994 1500.500000 1 263.200012 3001.000000 1 269.200012 3001.000000 1 269.650009 3001.000000 1 271.200012 1500.500000 1 271.399994 1500.500000 1 271.600006 1500.500000 1 272.399994 4501.500000 1 273.342716 618206.000000 135 274.400000 7502.500000 2 274.799988 1500.500000 1 275.200012 3001.000000 1 276.000000 1500.500000 1 276.266663 9003.000000 2 277.000000 9003.000000 2 277.500000 1500.500000 1 279.700012 1500.500000 1 287.261538 19506.500000 4 287.899994 1500.500000 1 289.100006 1500.500000 1 289.399994 3001.000000 1 290.100006 4501.500000 1 290.299988 4501.500000 1 290.600006 1500.500000 1 303.100006 1500.500000 1 303.299988 1500.500000 1 304.050003 6002.000000 1 304.299988 3001.000000 1 305.395448 2307769.000000 503 306.500000 1500.500000 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)