MassBank Record: FFF00227



 Dihydrotestosterone; LC-APPI-QQ; MS2; CE:40 V; [M+CH3]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00227
RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:40 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 0.820833 min
MS$FOCUSED_ION: BASE_PEAK 85.400002 MS$FOCUSED_ION: PRECURSOR_M/Z 305.400000 MS$FOCUSED_ION: PRECURSOR_TYPE [M+CH3]+
PK$SPLASH: splash10-053j-8910000000-68b188fa4a00bf7c112c PK$NUM_PEAK: 319 PK$PEAK: m/z int. rel.int. 39.400002 1500.500000 1 40.599998 3001.000000 1 40.799999 3001.000000 1 41.299999 6002.000000 1 43.082609 34511.500000 8 44.599998 1500.500000 1 44.900002 3001.000000 1 45.099998 3001.000000 1 45.350000 3001.000000 1 50.200001 1500.500000 1 50.599998 1500.500000 1 50.950001 3001.000000 1 51.400002 3001.000000 1 52.299999 1500.500000 1 52.850000 6002.000000 1 53.200001 3001.000000 1 53.400002 4501.500000 1 55.090441 408136.000000 91 56.000000 1500.500000 1 56.883334 27009.000000 6 57.400002 16505.500000 4 57.799999 1500.500000 1 58.250000 6002.000000 1 58.980000 30010.000000 7 63.799999 1500.500000 1 64.650000 6002.000000 1 65.099998 4501.500000 1 65.366669 9003.000000 2 65.599998 1500.500000 1 67.100000 597199.000000 133 68.371431 21007.000000 5 69.116666 216072.000000 48 70.033333 9003.000000 2 71.072413 174058.000000 39 72.000000 3001.000000 1 73.176470 25508.500000 6 75.099998 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