MassBank Record: FFF00089



 Dehydroepiandrosterone; LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00089
RECORD_TITLE: Dehydroepiandrosterone; LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+
DATE: 2016.01.19 (2011.03.01, 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$NAME: Dehydroepiandrosterone CH$COMPOUND_CLASS: Natural Product; Steroid hormone CH$FORMULA: C19H28O2 CH$EXACT_MASS: 288.20893 CH$SMILES: OC(C4)CC(=C3)C(C)(C4)C(C2)C(C3)C(C1)C(C)(C2)C(=O)C1 CH$IUPAC: InChI=1S/C19H28O2/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/h3,13-16,20H,4-11H2,1-2H3/t13-,14?,15?,16?,18?,19?/m0/s1 CH$LINK: CAS 53-43-0 CH$LINK: LIPIDBANK SST0185 CH$LINK: INCHIKEY FMGSKLZLMKYGDP-IHFGAHDLSA-N
AC$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$FOCUSED_ION: BASE_PEAK 271.299988 MS$FOCUSED_ION: PRECURSOR_M/Z 271.300000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-00di-0090000000-7b37418ebfdf26bae2e5 PK$NUM_PEAK: 202 PK$PEAK: m/z int. rel.int. 55.299999 1350.500000 1 56.599998 1350.500000 1 63.000000 1350.500000 1 69.199997 2701.000000 1 69.599998 1350.500000 1 77.000000 1350.500000 1 78.900002 1350.500000 1 79.199997 1350.500000 1 80.875002 21608.000000 1 81.099998 24309.000000 1 81.950001 2701.000000 1 82.900000 6752.500000 1 83.300003 4051.500000 1 84.928573 9453.500000 1 86.800003 1350.500000 1 89.099998 1350.500000 1 91.099998 4051.500000 1 92.900002 5402.000000 1 93.099998 4051.500000 1 94.049999 5402.000000 1 94.400002 5402.000000 1 94.960001 13505.000000 1 96.099998 2701.000000 1 97.092500 54020.000000 1 98.599998 1350.500000 1 98.800003 2701.000000 1 99.300003 2701.000000 1 99.800003 1350.500000 1 105.055555 12154.500000 1 105.699997 1350.500000 1 106.500000 4051.500000 1 106.881820 29711.000000 1 107.199997 17556.500000 1 107.800003 2701.000000 1 108.199997 1350.500000 1 109.206667 40515.000000 1 110.199997 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