MassBank Record: FFF00214



 Dihydrotestosterone; LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00214
RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:50 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 0.820833 min
MS$FOCUSED_ION: BASE_PEAK 81.099998 MS$FOCUSED_ION: PRECURSOR_M/Z 273.200000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-0a5c-9810000000-e84d072b628ffe043184 PK$NUM_PEAK: 271 PK$PEAK: m/z int. rel.int. 39.400002 2701.000000 1 39.900002 1350.500000 1 40.099998 2701.000000 1 40.966667 20257.500000 9 41.228572 18907.000000 9 43.086047 116143.000000 54 43.950001 2701.000000 1 44.850000 5402.000000 2 45.275000 5402.000000 2 50.799999 1350.500000 1 52.400002 2701.000000 1 53.000000 9453.500000 4 53.270000 13505.000000 6 53.574999 5402.000000 2 53.900002 4051.500000 2 55.098300 476726.500000 220 56.299999 4051.500000 2 57.050000 67525.000000 31 58.000000 1350.500000 1 59.000000 2701.000000 1 59.400002 2701.000000 1 65.122222 36463.500000 17 65.562499 10804.000000 5 65.800003 9453.500000 4 67.130929 1104709.000000 510 69.110089 455118.500000 210 69.875002 5402.000000 2 70.566666 8103.000000 4 71.143476 31061.500000 14 71.800003 1350.500000 1 72.199997 1350.500000 1 73.099998 1350.500000 1 75.150002 5402.000000 2 75.699997 5402.000000 2 75.900002 4051.500000 2 77.076712 394346.000000 182 79.047578 1561178.000000 721 81.124859 2162150.500000 999 83.052688 251193.000000 116 84.099998 1350.500000 1 84.400002 2701.000000 1 84.800003 4051.500000 2 85.250000 5402.000000 2 87.699997 1350.500000 1 88.000000 1350.500000 1 88.300003 1350.500000 1 88.900000 6752.500000 3 89.512500 10804.000000 5 89.900002 14855.500000 7 91.093396 1717836.000000 794 93.103125 1728640.000000 799 95.070781 1488251.000000 688 97.054924 356532.000000 165 97.900002 4051.500000 2 98.099998 4051.500000 2 98.300003 1350.500000 1 98.500000 2701.000000 1 98.900002 2701.000000 1 99.199999 4051.500000 2 100.000000 1350.500000 1 101.099998 2701.000000 1 101.400002 1350.500000 1 101.750000 5402.000000 2 102.350002 8103.000000 4 103.095453 59422.000000 27 105.062536 1874494.000000 866 107.066139 1108760.500000 512 109.095594 1103358.500000 510 110.099998 5402.000000 2 111.067999 33762.500000 16 113.000000 1350.500000 1 113.199997 1350.500000 1 113.500000 2701.000000 1 113.900002 1350.500000 1 114.149998 2701.000000 1 115.170730 55370.500000 26 116.063636 29711.000000 14 117.067987 442964.000000 205 119.089937 858918.000000 397 120.099998 12154.500000 6 121.139754 329522.000000 152 121.800003 12154.500000 6 123.060369 950752.000000 439 124.300003 2701.000000 1 125.099998 4051.500000 2 125.500000 1350.500000 1 125.800003 1350.500000 1 126.000000 1350.500000 1 126.199997 2701.000000 1 127.000000 10804.000000 5 127.366669 16206.000000 7 129.076238 272801.000000 126 131.166170 542901.000000 251 133.179897 261997.000000 121 133.800003 1350.500000 1 134.000000 5402.000000 2 135.152380 56721.000000 26 136.100006 1350.500000 1 136.300003 1350.500000 1 136.500000 1350.500000 1 137.187498 10804.000000 5 138.899994 2701.000000 1 140.050003 2701.000000 1 140.500000 5402.000000 2 140.699997 6752.500000 3 141.176190 56721.000000 26 141.699997 16206.000000 7 142.137778 121545.000000 56 143.158475 318718.000000 147 145.131161 372738.000000 172 145.849998 8103.000000 4 147.155921 205276.000000 95 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