MassBank Record: FFF00215



 Dihydrotestosterone; LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00215
RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+
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 0.820850 min
MS$FOCUSED_ION: BASE_PEAK 107.099998 MS$FOCUSED_ION: PRECURSOR_M/Z 273.200000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-0a4i-4910000000-1fba901cab70d366437c PK$NUM_PEAK: 287 PK$PEAK: m/z int. rel.int. 39.099998 1350.500000 1 39.900002 1350.500000 1 40.299999 1350.500000 1 40.500000 2701.000000 1 40.799999 1350.500000 1 41.150000 5402.000000 3 41.799999 1350.500000 1 42.299999 1350.500000 1 42.500000 5402.000000 3 43.100000 66174.500000 33 43.700001 1350.500000 1 44.099998 1350.500000 1 44.799999 1350.500000 1 45.000000 1350.500000 1 45.200001 1350.500000 1 45.700001 1350.500000 1 50.900002 1350.500000 1 51.099998 1350.500000 1 52.599998 1350.500000 1 53.099998 1350.500000 1 53.400002 1350.500000 1 53.599998 1350.500000 1 54.000000 8103.000000 4 54.299999 5402.000000 3 55.058333 145854.000000 73 55.599998 4051.500000 2 56.099998 2701.000000 1 56.500000 4051.500000 2 57.064706 22958.500000 11 58.099998 1350.500000 1 59.000000 2701.000000 1 59.200001 1350.500000 1 64.549999 2701.000000 1 64.950001 5402.000000 3 65.199997 4051.500000 2 65.460001 6752.500000 3 66.099998 8103.000000 4 67.135751 521293.000000 261 69.155999 270100.000000 135 69.800003 1350.500000 1 70.252941 22958.500000 11 70.915001 27010.000000 14 71.400002 13505.000000 7 72.000000 1350.500000 1 72.850002 2701.000000 1 74.900002 1350.500000 1 75.199997 1350.500000 1 75.800003 1350.500000 1 76.199997 2701.000000 1 77.051999 67525.000000 34 77.900002 12154.500000 6 79.033448 787341.500000 394 81.109515 1362654.500000 681 82.010000 13505.000000 7 83.150336 201224.500000 101 83.900002 4051.500000 2 84.099998 1350.500000 1 84.300003 2701.000000 1 84.699997 6752.500000 3 85.011765 22958.500000 11 85.333336 8103.000000 4 85.800003 2701.000000 1 86.000000 1350.500000 1 87.099998 1350.500000 1 87.900002 1350.500000 1 88.400002 1350.500000 1 88.800003 1350.500000 1 89.000000 1350.500000 1 89.400002 8103.000000 4 91.092495 611776.500000 306 93.099815 1461241.000000 730 95.056174 1651661.500000 826 97.108203 345728.000000 173 97.800003 1350.500000 1 98.049999 8103.000000 4 98.350002 8103.000000 4 98.850002 5402.000000 3 99.239999 13505.000000 7 100.000000 1350.500000 1 101.000000 1350.500000 1 102.250000 2701.000000 1 102.833333 16206.000000 8 105.097520 1197893.500000 599 107.041351 1139822.000000 570 109.110632 1346448.500000 673 109.840002 13505.000000 7 110.133331 8103.000000 4 110.900002 20257.500000 10 111.219356 41865.500000 21 112.850002 2701.000000 1 113.400002 1350.500000 1 114.199997 2701.000000 1 115.312500 21608.000000 11 115.699997 4051.500000 2 117.059459 199874.000000 100 119.077481 707662.000000 354 121.127126 667147.000000 333 121.910528 25659.500000 13 123.073040 1998740.000000 999 124.124998 5402.000000 3 124.699997 2701.000000 1 125.199997 5402.000000 3 125.400002 4051.500000 2 126.099998 1350.500000 1 126.500000 1350.500000 1 126.699997 1350.500000 1 127.300001 8103.000000 4 129.130252 160709.500000 80 130.229416 45917.000000 23 131.123794 420005.500000 210 133.147245 343027.000000 171 134.100006 9453.500000 5 134.300003 10804.000000 5 135.096638 321419.000000 161 135.800003 1350.500000 1 136.150002 5402.000000 3 137.127586 78329.000000 39 137.699997 1350.500000 1 137.949997 2701.000000 1 138.199997 1350.500000 1 138.600006 1350.500000 1 139.000000 5402.000000 3 139.399994 1350.500000 1 139.800003 1350.500000 1 140.300003 1350.500000 1 140.866664 8103.000000 4 141.199997 8103.000000 4 141.525002 5402.000000 3 143.075000 183668.000000 92 143.699997 14855.500000 7 145.100388 696858.000000 348 147.144179 510489.000000 255 148.016668 8103.000000 4 148.359998 13505.000000 7 149.173190 186369.000000 93 150.300003 2701.000000 1 151.020001 13505.000000 7 151.325001 5402.000000 3 151.750000 2701.000000 1 152.100006 2701.000000 1 153.000000 8103.000000 4 153.399994 6752.500000 3 154.150002 2701.000000 1 154.449997 2701.000000 1 155.223532 22958.500000 11 155.600006 10804.000000 5 156.064284 37814.000000 19 157.137180 210678.000000 105 159.105850 969659.000000 485 161.152051 526695.000000 263 161.849998 13505.000000 7 162.100006 6752.500000 3 163.173305 318718.000000 159 163.949997 5402.000000 3 164.500000 5402.000000 3 165.374996 10804.000000 5 166.199997 4051.500000 2 166.399994 1350.500000 1 166.800003 2701.000000 1 167.250000 5402.000000 3 167.700002 4051.500000 2 168.100001 4051.500000 2 168.500000 1350.500000 1 168.800003 2701.000000 1 169.116666 16206.000000 8 171.075001 129648.000000 65 172.216671 32412.000000 16 173.171875 259296.000000 130 173.800003 1350.500000 1 174.100006 2701.000000 1 174.557146 9453.500000 5 175.318751 43216.000000 22 176.100006 1350.500000 1 176.500000 5402.000000 3 177.011765 22958.500000 11 177.371425 18907.000000 9 177.849998 5402.000000 3 178.300003 2701.000000 1 178.600006 1350.500000 1 178.899994 2701.000000 1 179.399994 4051.500000 2 180.000000 2701.000000 1 180.399994 1350.500000 1 181.000000 5402.000000 3 181.199997 4051.500000 2 181.399994 4051.500000 2 182.800003 6752.500000 3 183.399994 17556.500000 9 185.123973 197173.000000 99 185.500000 52669.500000 26 186.100006 13505.000000 7 187.149350 103988.500000 52 188.000000 10804.000000 5 189.176812 93184.500000 47 189.800003 1350.500000 1 190.100006 4051.500000 2 191.199997 5402.000000 3 191.399994 4051.500000 2 191.899994 1350.500000 1 193.100006 1350.500000 1 193.650002 2701.000000 1 194.800003 1350.500000 1 195.000000 4051.500000 2 195.199997 1350.500000 1 195.449997 2701.000000 1 195.800003 1350.500000 1 196.100006 1350.500000 1 196.550003 2701.000000 1 197.280002 13505.000000 7 197.766668 8103.000000 4 199.202173 372738.000000 186 200.244446 24309.000000 12 201.217145 47267.500000 24 202.175609 221482.000000 111 203.172417 78329.000000 39 204.800003 1350.500000 1 205.000000 4051.500000 2 205.199997 2701.000000 1 205.699997 1350.500000 1 206.000000 1350.500000 1 208.000000 1350.500000 1 208.800003 1350.500000 1 210.300003 1350.500000 1 210.500000 1350.500000 1 210.916662 8103.000000 4 211.355555 12154.500000 6 212.000000 5402.000000 3 213.399994 45917.000000 23 214.199997 8103.000000 4 215.154840 251193.000000 126 215.857141 18907.000000 9 216.100006 13505.000000 7 217.071431 75628.000000 38 218.100006 2701.000000 1 218.399994 1350.500000 1 218.849998 2701.000000 1 219.300003 4051.500000 2 220.800003 1350.500000 1 222.050003 2701.000000 1 223.000000 1350.500000 1 223.399994 1350.500000 1 224.899994 6752.500000 3 225.212498 10804.000000 5 226.100006 31061.500000 16 227.219997 54020.000000 27 228.020001 13505.000000 7 228.325001 10804.000000 5 229.200000 33762.500000 17 230.107144 75628.000000 38 231.000000 1350.500000 1 231.250000 5402.000000 3 231.800003 1350.500000 1 232.100001 4051.500000 2 234.500000 1350.500000 1 238.800003 5402.000000 3 239.199997 9453.500000 5 240.112505 10804.000000 5 240.416662 8103.000000 4 241.116669 16206.000000 8 241.600006 4051.500000 2 241.800003 2701.000000 1 242.269231 17556.500000 9 243.260000 54020.000000 27 243.899994 12154.500000 6 244.300003 5402.000000 3 244.500000 8103.000000 4 245.224692 109390.500000 55 246.199997 1350.500000 1 251.300003 1350.500000 1 252.300003 4051.500000 2 252.949997 5402.000000 3 253.199997 2701.000000 1 253.600006 4051.500000 2 254.199997 4051.500000 2 255.327485 461871.000000 231 256.200012 1350.500000 1 256.500000 1350.500000 1 256.962498 10804.000000 5 258.202566 105339.000000 53 270.550003 5402.000000 3 271.000000 2701.000000 1 271.200012 5402.000000 3 271.449997 5402.000000 3 271.849991 5402.000000 3 272.449997 10804.000000 5 273.217286 218781.000000 109 274.000000 1350.500000 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)