MassBank Record: FFF00223



 Dihydrotestosterone; LC-APPI-QQ; MS2; CE:20 V; [M-2H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00223
RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:20 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$FOCUSED_ION: BASE_PEAK 255.399994 MS$FOCUSED_ION: PRECURSOR_M/Z 255.200000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-2H2O+H]+
PK$SPLASH: splash10-0a4i-0290000000-a08659531d7c56acbdbc PK$NUM_PEAK: 211 PK$PEAK: m/z int. rel.int. 41.000000 1350.500000 1 43.400002 1350.500000 1 54.599998 2701.000000 1 54.799999 5402.000000 1 55.000000 1350.500000 1 55.316666 8103.000000 1 57.299999 1350.500000 1 64.199997 1350.500000 1 65.099998 1350.500000 1 65.300003 1350.500000 1 65.699997 1350.500000 1 67.075861 39164.500000 1 67.800003 1350.500000 1 68.300003 1350.500000 1 69.300003 9453.500000 1 69.599998 1350.500000 1 70.500000 1350.500000 1 71.049999 2701.000000 1 74.800003 1350.500000 1 77.199997 2701.000000 1 77.400002 1350.500000 1 78.099998 2701.000000 1 78.868752 21608.000000 1 79.199997 13505.000000 1 81.117470 448366.000000 13 82.549999 8103.000000 1 83.275002 21608.000000 1 84.900002 1350.500000 1 85.300003 1350.500000 1 86.800003 2701.000000 1 89.300003 1350.500000 1 89.900002 2701.000000 1 90.300003 2701.000000 1 90.500000 5402.000000 1 90.972223 72927.000000 2 91.900002 2701.000000 1 93.044047 113442.000000 3 94.037499 10804.000000 1 95.035849 429459.000000 13 96.250000 2701.000000 1 96.500000 6752.500000 1 96.843752 21608.000000 1 97.099998 9453.500000 1 97.408335 16206.000000 1 100.800003 1350.500000 1 103.300003 4051.500000 1 103.500000 1350.500000 1 104.099998 6752.500000 1 105.030667 405150.000000 12 106.025000 16206.000000 1 107.034341 491582.000000 15 107.800003 4051.500000 1 109.121505 251193.000000 8 110.350002 2701.000000 1 110.599998 2701.000000 1 111.000000 12154.500000 1 113.000000 2701.000000 1 115.099998 1350.500000 1 115.400002 2701.000000 1 115.699997 1350.500000 1 117.167567 49968.500000 1 117.975000 5402.000000 1 119.053703 145854.000000 4 119.900001 12154.500000 1 121.154504 299811.000000 9 121.800003 2701.000000 1 122.000000 2701.000000 1 123.093182 118844.000000 4 124.199997 1350.500000 1 124.900002 2701.000000 1 125.199997 2701.000000 1 126.599998 1350.500000 1 128.199997 1350.500000 1 128.399994 1350.500000 1 129.166668 24309.000000 1 129.883329 8103.000000 1 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1350.500000 1 166.650002 2701.000000 1 167.100006 2701.000000 1 167.699997 1350.500000 1 167.899994 1350.500000 1 168.399994 2701.000000 1 168.899994 1350.500000 1 169.300001 9453.500000 1 169.800003 2701.000000 1 171.138711 209327.500000 6 173.195138 833258.500000 25 175.165934 245791.000000 7 176.800003 2701.000000 1 177.199997 5402.000000 1 177.399994 6752.500000 1 177.600006 1350.500000 1 179.150002 2701.000000 1 180.000000 2701.000000 1 180.250000 2701.000000 1 181.077777 24309.000000 1 182.399994 4051.500000 1 182.899994 5402.000000 1 183.330000 13505.000000 1 184.312502 10804.000000 1 185.145284 429459.000000 13 186.224998 10804.000000 1 186.500000 10804.000000 1 187.177940 275502.000000 8 188.150002 2701.000000 1 188.600006 8103.000000 1 189.349999 48618.000000 1 191.000000 2701.000000 1 191.399994 1350.500000 1 192.600006 1350.500000 1 193.199997 1350.500000 1 193.399994 1350.500000 1 193.899994 1350.500000 1 194.199997 1350.500000 1 194.399994 2701.000000 1 194.600006 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