MassBank Record: FFF00217



 Dihydrotestosterone; 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: FFF00217
RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:20 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$FOCUSED_ION: BASE_PEAK 273.100006 MS$FOCUSED_ION: PRECURSOR_M/Z 273.200000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-00di-0390000000-5ac39c4649aa130d1c5b PK$NUM_PEAK: 249 PK$PEAK: m/z int. rel.int. 42.700001 1350.500000 1 43.000000 1350.500000 1 49.599998 1350.500000 1 54.799999 1350.500000 1 55.049999 2701.000000 1 55.299999 1350.500000 1 66.500000 1350.500000 1 66.850002 8103.000000 1 67.099998 5402.000000 1 67.400002 4051.500000 1 67.599998 1350.500000 1 68.400002 4051.500000 1 68.599998 2701.000000 1 68.928573 9453.500000 1 69.250000 5402.000000 1 69.599998 2701.000000 1 70.300003 1350.500000 1 70.599998 1350.500000 1 70.800003 1350.500000 1 71.199997 2701.000000 1 73.300003 1350.500000 1 76.699997 1350.500000 1 77.099998 1350.500000 1 77.300003 1350.500000 1 79.020000 13505.000000 1 80.049999 2701.000000 1 81.100000 117493.500000 8 82.000000 4051.500000 1 82.500000 8103.000000 1 82.930770 35113.000000 2 84.500000 2701.000000 1 84.942858 9453.500000 1 86.950001 2701.000000 1 87.300003 1350.500000 1 90.099998 1350.500000 1 90.350002 2701.000000 1 90.900002 6752.500000 1 91.099998 8103.000000 1 91.500000 2701.000000 1 91.900002 1350.500000 1 92.099998 1350.500000 1 92.300003 6752.500000 1 93.000000 31061.500000 2 93.900002 1350.500000 1 95.011765 229585.000000 16 96.300003 4051.500000 1 97.300003 54020.000000 4 98.199997 5402.000000 1 98.500000 1350.500000 1 99.020000 13505.000000 1 101.199997 1350.500000 1 102.699997 2701.000000 1 103.099998 1350.500000 1 103.800003 2701.000000 1 104.860871 31061.500000 2 106.199997 8103.000000 1 107.054999 162060.000000 11 107.699997 5402.000000 1 108.022222 12154.500000 1 109.089447 537499.000000 37 110.099998 1350.500000 1 110.400002 2701.000000 1 111.200001 28360.500000 2 111.900002 1350.500000 1 112.250000 2701.000000 1 112.500000 1350.500000 1 113.063637 29711.000000 2 115.000000 1350.500000 1 115.699997 1350.500000 1 116.833333 8103.000000 1 117.400002 1350.500000 1 117.699997 1350.500000 1 117.900002 1350.500000 1 118.539999 13505.000000 1 119.106896 78329.000000 5 120.099998 5402.000000 1 121.106849 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2701.000000 1 210.949997 2701.000000 1 211.199997 2701.000000 1 211.399994 2701.000000 1 212.000000 2701.000000 1 213.171874 259296.000000 18 215.185567 392995.500000 27 217.096155 70226.000000 5 219.100006 1350.500000 1 222.899994 1350.500000 1 223.399999 4051.500000 1 224.800003 1350.500000 1 225.300003 1350.500000 1 226.224998 10804.000000 1 227.269443 97236.000000 7 228.000000 4051.500000 1 228.349998 2701.000000 1 229.260603 44566.500000 3 230.000000 8103.000000 1 230.283333 16206.000000 1 231.016668 8103.000000 1 233.349998 2701.000000 1 237.075005 5402.000000 1 237.300003 2701.000000 1 237.600006 1350.500000 1 237.800003 1350.500000 1 238.699997 1350.500000 1 239.800003 2701.000000 1 241.184906 71576.500000 5 242.150002 5402.000000 1 242.699997 4051.500000 1 243.274998 10804.000000 1 244.000000 6752.500000 1 244.300003 2701.000000 1 245.200594 226884.000000 16 246.100006 1350.500000 1 246.600006 1350.500000 1 249.800003 1350.500000 1 252.699997 2701.000000 1 253.144446 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