MassBank Record: FFF00091



 Dehydroepiandrosterone; LC-APPI-QQ; MS2; CE:50 V; [M-2H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00091
RECORD_TITLE: Dehydroepiandrosterone; LC-APPI-QQ; MS2; CE:50 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$FOCUSED_ION: BASE_PEAK 90.900002 MS$FOCUSED_ION: PRECURSOR_M/Z 253.300000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-2H2O+H]+
PK$SPLASH: splash10-055f-3900000000-c07559b98be35499aac8 PK$NUM_PEAK: 206 PK$PEAK: m/z int. rel.int. 38.000000 1350.500000 1 39.100000 16206.000000 1 39.599998 2701.000000 1 41.085126 426758.000000 38 43.111979 259296.000000 23 44.299999 2701.000000 1 45.200001 1350.500000 1 47.200001 1350.500000 1 48.299999 1350.500000 1 49.799999 1350.500000 1 50.299999 1350.500000 1 50.900002 8103.000000 1 51.700001 4051.500000 1 52.514285 18907.000000 2 53.073437 172864.000000 15 55.071288 3019718.000000 266 55.900002 9453.500000 1 56.350000 13505.000000 1 56.948001 33762.500000 3 57.220000 27010.000000 2 57.799999 1350.500000 1 58.099998 2701.000000 1 58.500000 1350.500000 1 58.700001 4051.500000 1 59.099998 1350.500000 1 61.799999 1350.500000 1 62.099998 1350.500000 1 62.799999 1350.500000 1 63.099998 5402.000000 1 63.400002 4051.500000 1 64.500000 21608.000000 2 65.070858 472675.000000 42 67.079720 4728100.500000 417 69.122071 991267.000000 87 70.500000 5402.000000 1 71.099998 2701.000000 1 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