MassBank Record: FFF00224



 Dihydrotestosterone; LC-APPI-QQ; MS2; CE:10 V; [M-2H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00224
RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:10 V; [M-2H2O+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$FOCUSED_ION: BASE_PEAK 255.300003 MS$FOCUSED_ION: PRECURSOR_M/Z 255.200000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-2H2O+H]+
PK$SPLASH: splash10-0a4i-0090000000-fc567c4cfb92e9e28a11 PK$NUM_PEAK: 179 PK$PEAK: m/z int. rel.int. 34.400002 1350.500000 1 68.800003 1350.500000 1 78.699997 1350.500000 1 79.900002 1350.500000 1 80.400002 1350.500000 1 80.800003 5402.000000 1 81.000000 6752.500000 1 81.199997 6752.500000 1 81.400002 4051.500000 1 83.099998 1350.500000 1 84.500000 1350.500000 1 90.800003 4051.500000 1 92.199997 1350.500000 1 92.900002 1350.500000 1 93.099998 6752.500000 1 93.350002 5402.000000 1 94.649998 8103.000000 1 95.033333 8103.000000 1 95.400002 4051.500000 1 95.699997 2701.000000 1 95.900002 1350.500000 1 96.900002 1350.500000 1 97.099998 1350.500000 1 103.800003 1350.500000 1 104.500000 2701.000000 1 105.059999 13505.000000 1 105.599998 1350.500000 1 105.900002 1350.500000 1 106.099998 1350.500000 1 106.500000 1350.500000 1 107.000000 16206.000000 1 107.316669 8103.000000 1 108.699999 4051.500000 1 109.300003 8103.000000 1 109.599998 1350.500000 1 110.699997 1350.500000 1 111.000000 1350.500000 1 111.250000 2701.000000 1 113.000000 1350.500000 1 116.850002 2701.000000 1 117.199999 4051.500000 1 117.599998 1350.500000 1 118.699997 8103.000000 1 118.900002 6752.500000 1 119.149998 5402.000000 1 120.250000 2701.000000 1 120.800003 5402.000000 1 121.053845 17556.500000 1 122.500000 1350.500000 1 123.199998 6752.500000 1 127.300003 1350.500000 1 128.399994 1350.500000 1 129.050003 2701.000000 1 129.600006 1350.500000 1 130.000000 1350.500000 1 130.500000 1350.500000 1 130.874996 10804.000000 1 131.100006 9453.500000 1 132.300003 1350.500000 1 132.600006 2701.000000 1 133.112501 21608.000000 1 134.899994 8103.000000 1 135.100006 5402.000000 1 135.300003 5402.000000 1 136.699997 1350.500000 1 136.899994 5402.000000 1 137.399994 4051.500000 1 139.100006 1350.500000 1 141.100006 1350.500000 1 142.349998 2701.000000 1 142.600006 1350.500000 1 143.100006 2701.000000 1 143.600006 1350.500000 1 144.100006 1350.500000 1 145.138460 105339.000000 3 145.899994 1350.500000 1 146.300003 1350.500000 1 147.126926 70226.000000 2 148.199997 1350.500000 1 148.399994 1350.500000 1 149.000000 17556.500000 1 149.199997 6752.500000 1 149.399994 4051.500000 1 149.699997 1350.500000 1 150.699997 1350.500000 1 151.150002 5402.000000 1 155.500000 1350.500000 1 155.800003 1350.500000 1 156.699997 4051.500000 1 157.228572 9453.500000 1 157.800003 1350.500000 1 158.000000 1350.500000 1 158.250000 2701.000000 1 158.500000 8103.000000 1 159.115281 97236.000000 3 160.600006 5402.000000 1 161.049999 32412.000000 1 162.100006 1350.500000 1 162.800003 1350.500000 1 163.275002 10804.000000 1 166.699997 1350.500000 1 169.000000 1350.500000 1 169.399994 1350.500000 1 171.200003 13505.000000 1 171.800003 1350.500000 1 172.424995 5402.000000 1 173.058068 41865.500000 1 174.988888 24309.000000 1 177.600006 1350.500000 1 181.000000 2701.000000 1 181.300003 2701.000000 1 183.100006 1350.500000 1 184.399994 1350.500000 1 185.049999 43216.000000 1 185.399994 18907.000000 1 186.100006 1350.500000 1 186.500000 1350.500000 1 187.200001 18907.000000 1 187.500000 6752.500000 1 188.199997 1350.500000 1 188.750000 2701.000000 1 189.000000 8103.000000 1 189.281816 14855.500000 1 194.699997 1350.500000 1 194.899994 4051.500000 1 195.399994 9453.500000 1 196.000000 1350.500000 1 196.699997 1350.500000 1 196.949997 2701.000000 1 197.199997 1350.500000 1 197.399994 4051.500000 1 197.699997 1350.500000 1 198.150002 2701.000000 1 198.399994 1350.500000 1 198.670000 13505.000000 1 199.176317 153957.000000 4 200.000000 2701.000000 1 200.550003 2701.000000 1 200.800003 4051.500000 1 201.276921 17556.500000 1 201.699997 1350.500000 1 209.300003 2701.000000 1 210.849998 2701.000000 1 211.300003 2701.000000 1 212.150002 2701.000000 1 212.500000 2701.000000 1 212.943747 43216.000000 1 213.351722 78329.000000 2 213.899994 1350.500000 1 214.349998 2701.000000 1 218.899994 1350.500000 1 222.500000 1350.500000 1 223.233332 24309.000000 1 224.600006 1350.500000 1 225.100006 2701.000000 1 225.699997 1350.500000 1 226.199997 5402.000000 1 227.100003 51319.000000 1 236.699997 1350.500000 1 237.100006 10804.000000 1 237.399994 9453.500000 1 238.000000 1350.500000 1 238.199997 1350.500000 1 238.550003 2701.000000 1 239.300003 1350.500000 1 239.849998 5402.000000 1 240.500000 5402.000000 1 251.100006 1350.500000 1 251.600006 1350.500000 1 251.899994 1350.500000 1 253.100006 9453.500000 1 253.300003 9453.500000 1 253.622223 24309.000000 1 255.315910 38589187.000000 999 256.500000 6752.500000 1 256.799988 2701.000000 1 257.000000 1350.500000 1 273.200012 1350.500000 1 275.799988 1350.500000 1 //

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