MassBank Record: FFF00209



 Dihydrotestosterone; LC-APPI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00209
RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:40 V; [M+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$FOCUSED_ION: BASE_PEAK 273.299988 MS$FOCUSED_ION: PRECURSOR_M/Z 291.300000 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a59-4960000000-198640655f9a7dc09be5 PK$NUM_PEAK: 344 PK$PEAK: m/z int. rel.int. 42.099998 1350.500000 15 42.400002 1350.500000 15 43.175000 10804.000000 119 43.500000 1350.500000 15 45.599998 1350.500000 15 54.400002 1350.500000 15 55.066666 16206.000000 179 57.050001 5402.000000 60 58.099998 2701.000000 30 64.800003 1350.500000 15 65.300003 5402.000000 60 66.400002 2701.000000 30 67.250000 21608.000000 239 67.699997 1350.500000 15 68.500000 1350.500000 15 69.099998 8103.000000 89 69.599998 1350.500000 15 69.900002 1350.500000 15 70.099998 1350.500000 15 70.938462 17556.500000 194 72.300003 1350.500000 15 73.099998 2701.000000 30 76.400002 1350.500000 15 76.800003 4051.500000 45 77.000000 4051.500000 45 77.300003 4051.500000 45 77.699997 1350.500000 15 78.099998 2701.000000 30 79.006249 21608.000000 239 79.599998 4051.500000 45 80.099998 1350.500000 15 81.183672 66174.500000 731 82.300003 1350.500000 15 82.944445 12154.500000 134 84.250000 2701.000000 30 84.825003 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