MassBank Record: FFF00218



 Dihydrotestosterone; LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00218
RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:10 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 0.820867 min
MS$FOCUSED_ION: BASE_PEAK 273.200012 MS$FOCUSED_ION: PRECURSOR_M/Z 273.200000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-00di-0090000000-87250140750d1f244da2 PK$NUM_PEAK: 194 PK$PEAK: m/z int. rel.int. 78.800003 1350.500000 1 80.599998 1350.500000 1 80.900002 4051.500000 1 81.149998 2701.000000 1 83.149998 2701.000000 1 83.500000 1350.500000 1 83.800003 1350.500000 1 84.599998 1350.500000 1 91.199997 4051.500000 1 93.099998 1350.500000 1 93.350002 2701.000000 1 94.599998 1350.500000 1 94.800003 4051.500000 1 95.000000 4051.500000 1 95.199997 4051.500000 1 95.400002 2701.000000 1 97.300003 4051.500000 1 98.900002 1350.500000 1 104.699997 1350.500000 1 105.099998 2701.000000 1 105.800003 1350.500000 1 106.400002 1350.500000 1 106.950001 2701.000000 1 107.300001 4051.500000 1 107.900002 2701.000000 1 108.199997 1350.500000 1 108.400002 1350.500000 1 108.599998 2701.000000 1 109.100001 25659.500000 1 110.000000 1350.500000 1 110.699997 1350.500000 1 111.300003 1350.500000 1 111.900002 1350.500000 1 113.099998 2701.000000 1 113.300003 1350.500000 1 117.099998 1350.500000 1 119.250000 5402.000000 1 120.599998 5402.000000 1 121.099998 4051.500000 1 121.300003 8103.000000 1 122.099998 5402.000000 1 123.011111 48618.000000 2 124.000000 1350.500000 1 125.099998 1350.500000 1 126.699997 1350.500000 1 127.500000 1350.500000 1 129.600006 1350.500000 1 129.800003 2701.000000 1 130.399994 2701.000000 1 131.124996 10804.000000 1 133.000000 2701.000000 1 133.399994 4051.500000 1 134.899994 5402.000000 1 135.250000 10804.000000 1 136.800003 1350.500000 1 137.000000 2701.000000 1 137.300003 2701.000000 1 138.500000 1350.500000 1 139.300003 1350.500000 1 144.000000 1350.500000 1 144.500000 2701.000000 1 144.899994 13505.000000 1 145.100006 9453.500000 1 146.600006 1350.500000 1 147.170000 13505.000000 1 147.399994 4051.500000 1 147.699997 1350.500000 1 148.000000 4051.500000 1 148.250000 2701.000000 1 149.033335 8103.000000 1 149.374996 5402.000000 1 151.025002 5402.000000 1 151.800003 1350.500000 1 153.300003 1350.500000 1 156.699997 1350.500000 1 157.000000 1350.500000 1 157.800003 1350.500000 1 158.000000 1350.500000 1 159.236844 51319.000000 2 159.600006 4051.500000 1 160.199997 1350.500000 1 161.024999 43216.000000 2 162.000000 1350.500000 1 162.199997 1350.500000 1 162.449997 2701.000000 1 163.025000 32412.000000 1 163.419995 13505.000000 1 165.150002 2701.000000 1 165.399994 1350.500000 1 168.600006 1350.500000 1 171.049999 10804.000000 1 171.399994 4051.500000 1 172.100006 2701.000000 1 172.399999 4051.500000 1 173.342102 25659.500000 1 174.500000 1350.500000 1 174.750000 5402.000000 1 175.000000 5402.000000 1 175.500000 2701.000000 1 176.199997 1350.500000 1 176.500000 1350.500000 1 177.000000 2701.000000 1 177.359998 13505.000000 1 179.199997 1350.500000 1 179.399994 1350.500000 1 181.000000 2701.000000 1 181.399994 2701.000000 1 182.300003 1350.500000 1 182.899994 1350.500000 1 184.600006 2701.000000 1 184.933329 16206.000000 1 185.199997 10804.000000 1 185.600006 4051.500000 1 186.250000 5402.000000 1 186.699997 1350.500000 1 186.899994 2701.000000 1 187.100006 4051.500000 1 187.399997 6752.500000 1 188.300003 5402.000000 1 188.800003 2701.000000 1 189.349998 16206.000000 1 191.199997 1350.500000 1 191.399994 1350.500000 1 191.600006 1350.500000 1 193.000000 1350.500000 1 193.500000 1350.500000 1 195.399994 1350.500000 1 197.250000 2701.000000 1 198.199997 1350.500000 1 198.399994 1350.500000 1 199.113044 93184.500000 4 200.199997 1350.500000 1 200.953843 17556.500000 1 201.300003 17556.500000 1 201.699997 2701.000000 1 202.199997 2701.000000 1 202.650002 2701.000000 1 203.208333 32412.000000 1 204.849998 2701.000000 1 205.399999 4051.500000 1 211.300003 1350.500000 1 213.114707 45917.000000 2 214.199997 1350.500000 1 215.308063 83731.000000 3 216.349998 2701.000000 1 216.849998 5402.000000 1 217.199997 5402.000000 1 217.412495 10804.000000 1 217.899994 2701.000000 1 218.899994 1350.500000 1 223.500000 1350.500000 1 226.100006 1350.500000 1 226.300003 1350.500000 1 226.699997 2701.000000 1 226.899994 4051.500000 1 227.150002 16206.000000 1 228.199997 1350.500000 1 228.500000 1350.500000 1 228.900000 9453.500000 1 229.300003 6752.500000 1 229.949997 2701.000000 1 230.300003 1350.500000 1 230.699997 2701.000000 1 231.199997 2701.000000 1 231.399994 4051.500000 1 237.100006 2701.000000 1 237.500000 1350.500000 1 240.300003 1350.500000 1 241.199999 21608.000000 1 242.100006 1350.500000 1 242.300003 1350.500000 1 242.949997 2701.000000 1 243.199997 1350.500000 1 244.399994 1350.500000 1 245.064708 22958.500000 1 245.543753 21608.000000 1 252.500000 1350.500000 1 252.899994 1350.500000 1 253.450001 5402.000000 1 255.313221 1757000.500000 69 257.299988 1350.500000 1 258.185713 18907.000000 1 259.299988 1350.500000 1 265.700012 1350.500000 1 266.299988 1350.500000 1 267.100006 1350.500000 1 267.799988 1350.500000 1 269.100006 1350.500000 1 270.399994 4051.500000 1 270.899994 2701.000000 1 273.319230 25379946.500000 999 274.899994 1350.500000 1 290.899994 1350.500000 1 291.299988 1350.500000 1 //

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