ACCESSION: MSBNK-PFOS_research_group-FFF00091
RECORD_TITLE: Dehydroepiandrosterone; LC-APPI-QQ; MS2; CE:50 V; [M-2H2O+H]+
DATE: 2016.01.19 (Created 2011.03.01, modified 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
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//
