MassBank Record: FFF00230



 Dihydrotestosterone; LC-APPI-QQ; MS2; CE:10 V; [M+CH3]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00230
RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:10 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 0.820850 min
MS$FOCUSED_ION: BASE_PEAK 305.500000 MS$FOCUSED_ION: PRECURSOR_M/Z 305.400000 MS$FOCUSED_ION: PRECURSOR_TYPE [M+CH3]+
PK$SPLASH: splash10-0a4i-0009000000-ebace03f51f8272efd00 PK$NUM_PEAK: 146 PK$PEAK: m/z int. rel.int. 80.900002 1500.500000 1 81.699997 1500.500000 1 84.850002 6002.000000 1 85.300003 1500.500000 1 90.850002 6002.000000 1 91.099998 3001.000000 1 99.300003 1500.500000 1 104.000000 1500.500000 1 104.800003 4501.500000 1 105.100001 9003.000000 1 106.400002 1500.500000 1 106.800003 4501.500000 1 107.000000 3001.000000 1 107.300003 3001.000000 1 107.699997 3001.000000 1 111.000000 1500.500000 1 112.850002 3001.000000 1 118.099998 1500.500000 1 118.800003 3001.000000 1 120.900002 3001.000000 1 121.199999 4501.500000 1 122.900002 4501.500000 1 123.300003 3001.000000 1 130.750000 3001.000000 1 132.399994 1500.500000 1 133.199997 3001.000000 1 133.500000 1500.500000 1 134.899994 1500.500000 1 135.300003 1500.500000 1 135.500000 1500.500000 1 137.100006 1500.500000 1 137.300003 1500.500000 1 144.699997 3001.000000 1 145.399994 4501.500000 1 145.600006 3001.000000 1 146.399994 1500.500000 1 146.699997 1500.500000 1 147.000000 4501.500000 1 147.399994 3001.000000 1 148.500000 1500.500000 1 149.300003 1500.500000 1 156.800003 1500.500000 1 157.399994 1500.500000 1 158.500000 1500.500000 1 159.075005 6002.000000 1 160.550003 3001.000000 1 160.899994 3001.000000 1 161.199997 3001.000000 1 162.899994 1500.500000 1 163.100006 1500.500000 1 163.600006 1500.500000 1 164.800003 3001.000000 1 169.000000 1500.500000 1 169.199997 1500.500000 1 170.800003 1500.500000 1 171.300003 3001.000000 1 172.699997 1500.500000 1 173.275002 12004.000000 2 173.500000 1500.500000 1 174.500000 1500.500000 1 174.849998 3001.000000 1 175.199997 3001.000000 1 176.949997 3001.000000 1 177.300003 1500.500000 1 178.800003 1500.500000 1 181.199997 1500.500000 1 183.100006 1500.500000 1 183.300003 1500.500000 1 184.899994 4501.500000 1 185.300003 7502.500000 1 186.750000 3001.000000 1 187.125004 6002.000000 1 187.600006 3001.000000 1 188.000000 1500.500000 1 189.000000 9003.000000 1 189.424995 6002.000000 1 190.399994 1500.500000 1 191.000000 4501.500000 1 191.199997 4501.500000 1 194.949997 3001.000000 1 195.199997 1500.500000 1 195.449997 3001.000000 1 196.199997 1500.500000 1 196.449997 3001.000000 1 197.150002 6002.000000 1 197.700002 4501.500000 1 198.449997 3001.000000 1 199.199997 16505.500000 3 199.650002 3001.000000 1 201.255554 13504.500000 2 205.150002 3001.000000 1 209.199997 1500.500000 1 210.300003 3001.000000 1 210.899994 4501.500000 1 211.199997 7502.500000 1 211.449997 6002.000000 1 212.399994 1500.500000 1 212.775002 6002.000000 1 213.240002 15005.000000 2 214.349998 3001.000000 1 215.100003 7502.500000 1 215.399994 4501.500000 1 217.250000 6002.000000 1 220.699997 1500.500000 1 221.199997 1500.500000 1 221.399994 1500.500000 1 227.199999 18006.000000 3 229.100006 1500.500000 1 229.600006 1500.500000 1 231.199997 3001.000000 1 232.800003 1500.500000 1 233.399994 3001.000000 1 235.300003 1500.500000 1 235.600006 1500.500000 1 236.750000 3001.000000 1 237.000000 1500.500000 1 245.399994 3001.000000 1 254.100006 1500.500000 1 255.186668 112537.500000 19 255.600006 43514.500000 7 256.700012 1500.500000 1 259.399994 1500.500000 1 262.899994 1500.500000 1 263.200012 1500.500000 1 269.899994 1500.500000 1 272.399994 1500.500000 1 272.600006 1500.500000 1 273.313955 129043.000000 21 275.600006 1500.500000 1 277.000000 3001.000000 1 277.200012 4501.500000 1 277.500000 4501.500000 1 286.299988 1500.500000 1 287.099999 19506.500000 3 287.600006 3001.000000 1 288.200012 3001.000000 1 288.399994 1500.500000 1 291.500000 1500.500000 1 302.899994 1500.500000 1 303.349991 6002.000000 1 303.799998 4501.500000 1 304.100006 6002.000000 1 305.381102 6066521.500000 999 306.399994 4501.500000 1 307.000000 1500.500000 1 307.799988 3001.000000 1 //

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