MassBank Record: FFF00229



 Dihydrotestosterone; LC-APPI-QQ; MS2; CE:20 V; [M+CH3]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00229
RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:20 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 0.820850 min
MS$FOCUSED_ION: BASE_PEAK 305.399994 MS$FOCUSED_ION: PRECURSOR_M/Z 305.400000 MS$FOCUSED_ION: PRECURSOR_TYPE [M+CH3]+
PK$SPLASH: splash10-0a4i-0449000000-58e17e7549cb02f24348 PK$NUM_PEAK: 265 PK$PEAK: m/z int. rel.int. 41.200001 1500.500000 1 54.799999 1500.500000 1 55.099998 1500.500000 1 55.500000 1500.500000 1 64.599998 1500.500000 1 66.400002 1500.500000 1 66.800003 1500.500000 1 67.400002 3001.000000 1 68.800003 1500.500000 1 70.599998 1500.500000 1 70.850002 3001.000000 1 71.099998 3001.000000 1 71.400002 1500.500000 1 72.599998 1500.500000 1 73.199997 3001.000000 1 77.199997 1500.500000 1 78.199997 1500.500000 1 78.950001 6002.000000 2 79.300003 3001.000000 1 79.500000 3001.000000 1 79.800003 1500.500000 1 80.991667 36012.000000 10 81.226922 39013.000000 11 82.800003 3001.000000 1 83.000000 1500.500000 1 83.400002 4501.500000 1 83.699997 3001.000000 1 85.060494 121540.500000 33 89.199997 1500.500000 1 89.900002 1500.500000 1 90.099998 1500.500000 1 90.300003 3001.000000 1 90.500000 1500.500000 1 91.000000 18006.000000 5 91.199997 18006.000000 5 91.800003 3001.000000 1 92.199997 3001.000000 1 93.066666 9003.000000 2 93.400002 3001.000000 1 94.400002 3001.000000 1 94.783335 9003.000000 2 95.000000 10503.500000 3 96.199997 1500.500000 1 96.400002 3001.000000 1 97.000000 4501.500000 1 97.199997 4501.500000 1 99.049999 3001.000000 1 102.300003 3001.000000 1 103.300003 1500.500000 1 103.800003 1500.500000 1 105.060909 165055.000000 45 106.149998 3001.000000 1 106.978572 42014.000000 11 108.000000 4501.500000 1 108.500000 3001.000000 1 109.095000 30010.000000 8 110.599998 1500.500000 1 110.975000 6002.000000 2 111.250000 3001.000000 1 112.199997 3001.000000 1 113.099998 4501.500000 1 115.199997 3001.000000 1 116.300003 1500.500000 1 117.199997 3001.000000 1 117.900002 1500.500000 1 119.130768 39013.000000 11 119.800003 1500.500000 1 120.199997 4501.500000 1 120.699997 9003.000000 2 121.000000 28509.500000 8 122.000000 1500.500000 1 123.179999 15005.000000 4 124.800003 1500.500000 1 125.049999 3001.000000 1 128.800003 3001.000000 1 130.650002 6002.000000 2 131.000000 9003.000000 2 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