MassBank Record: FFF00208



 Dihydrotestosterone; LC-APPI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00208
RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:50 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 0.820833 min
MS$FOCUSED_ION: BASE_PEAK 79.199997 MS$FOCUSED_ION: PRECURSOR_M/Z 291.300000 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-053u-6940000000-ec0c160114d0656b5f4e PK$NUM_PEAK: 368 PK$PEAK: m/z int. rel.int. 40.500000 1350.500000 10 40.799999 1350.500000 10 41.099998 2701.000000 20 41.400000 4051.500000 30 41.900002 1350.500000 10 42.099998 2701.000000 20 42.350000 2701.000000 20 42.799999 10804.000000 80 43.191666 32412.000000 240 45.099998 1350.500000 10 45.299999 1350.500000 10 51.200001 1350.500000 10 51.799999 1350.500000 10 52.900002 1350.500000 10 53.299999 1350.500000 10 54.400002 2701.000000 20 54.700001 9453.500000 70 55.200001 17556.500000 130 55.700001 2701.000000 20 56.299999 1350.500000 10 56.700001 1350.500000 10 57.028571 9453.500000 70 57.400002 1350.500000 10 59.450001 2701.000000 20 60.299999 1350.500000 10 64.000000 1350.500000 10 64.699997 1350.500000 10 65.199997 2701.000000 20 65.800003 1350.500000 10 66.199997 4051.500000 30 66.699997 6752.500000 50 67.177273 59422.000000 440 68.149998 2701.000000 20 68.500000 2701.000000 20 69.014285 18907.000000 140 69.950001 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