MassBank Record: FFF00221



 Dihydrotestosterone; LC-APPI-QQ; MS2; CE:40 V; [M-2H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00221
RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:40 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 0.820833 min
MS$FOCUSED_ION: BASE_PEAK 81.199997 MS$FOCUSED_ION: PRECURSOR_M/Z 255.200000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-2H2O+H]+
PK$SPLASH: splash10-0a5d-4910000000-0434f46b06ddc1ce3f5c PK$NUM_PEAK: 226 PK$PEAK: m/z int. rel.int. 38.799999 1350.500000 1 39.200001 1350.500000 1 40.250000 2701.000000 1 40.500000 1350.500000 1 41.050000 32412.000000 11 42.200001 2701.000000 1 42.500000 4051.500000 1 43.011111 24309.000000 8 43.325000 10804.000000 4 45.200001 1350.500000 1 50.900002 1350.500000 1 51.299999 2701.000000 1 51.799999 1350.500000 1 52.200001 1350.500000 1 52.500000 1350.500000 1 53.000000 2701.000000 1 53.200001 9453.500000 3 53.900002 2701.000000 1 55.094068 318718.000000 109 56.400002 1350.500000 1 56.799999 14855.500000 5 57.100000 24309.000000 8 58.799999 1350.500000 1 59.099998 2701.000000 1 62.900002 1350.500000 1 63.200001 1350.500000 1 64.500000 1350.500000 1 64.762501 10804.000000 4 65.400002 9453.500000 3 65.800003 5402.000000 2 67.141617 1135770.500000 388 69.140560 386243.000000 132 70.099998 2701.000000 1 70.800003 1350.500000 1 71.119999 13505.000000 5 71.500000 1350.500000 1 72.099998 1350.500000 1 73.099998 1350.500000 1 75.049999 2701.000000 1 75.500000 1350.500000 1 75.699997 1350.500000 1 76.166665 8103.000000 3 77.029578 191771.000000 66 77.800003 14855.500000 5 79.050617 1312686.000000 449 81.120268 2518682.500000 861 83.131250 172864.000000 59 84.000000 1350.500000 1 84.199997 1350.500000 1 84.500000 1350.500000 1 84.699997 1350.500000 1 85.000000 4051.500000 1 85.250000 2701.000000 1 86.500000 2701.000000 1 86.900002 2701.000000 1 87.699997 1350.500000 1 88.599998 1350.500000 1 89.687497 10804.000000 4 91.064391 1562528.500000 534 93.117767 2128388.000000 728 95.071646 2133790.000000 730 96.199997 5402.000000 2 97.199997 22958.500000 8 101.500000 1350.500000 1 102.049999 5402.000000 2 102.400002 4051.500000 1 103.088461 70226.000000 24 105.050485 2921131.500000 999 107.042903 1274872.000000 436 107.800003 6752.500000 2 108.012500 10804.000000 4 109.110066 617178.500000 211 110.000000 1350.500000 1 110.400002 2701.000000 1 110.699997 2701.000000 1 110.950001 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