MassBank Record: FFF00093



 Dehydroepiandrosterone; LC-APPI-QQ; MS2; CE:30 V; [M-2H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00093
RECORD_TITLE: Dehydroepiandrosterone; LC-APPI-QQ; MS2; CE:30 V; [M-2H2O+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$FOCUSED_ION: BASE_PEAK 197.300003 MS$FOCUSED_ION: PRECURSOR_M/Z 253.300000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-2H2O+H]+
PK$SPLASH: splash10-0udj-1930000000-33037e5041b1a1ef1c84 PK$NUM_PEAK: 197 PK$PEAK: m/z int. rel.int. 40.000000 1350.500000 1 40.200001 1350.500000 1 40.400002 1350.500000 1 40.799999 4051.500000 1 41.087500 21608.000000 1 41.700001 2701.000000 1 42.299999 2701.000000 1 43.200001 20257.500000 1 50.700001 1350.500000 1 51.099998 1350.500000 1 51.299999 1350.500000 1 52.599998 1350.500000 1 52.950001 2701.000000 1 53.300001 5402.000000 1 53.599998 2701.000000 1 53.799999 1350.500000 1 54.099998 2701.000000 1 55.083758 424057.000000 11 56.870001 13505.000000 1 58.200001 1350.500000 1 58.900002 1350.500000 1 59.500000 2701.000000 1 61.400002 1350.500000 1 63.700001 1350.500000 1 64.300003 5402.000000 1 65.000000 12154.500000 1 67.086398 1608445.500000 41 69.064265 899433.000000 23 70.000000 1350.500000 1 70.300003 1350.500000 1 70.599998 1350.500000 1 70.900002 10804.000000 1 71.174999 10804.000000 1 71.750000 2701.000000 1 72.099998 1350.500000 1 72.900002 2701.000000 1 73.099998 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