ACCESSION: MSBNK-PFOS_research_group-FFF00096
RECORD_TITLE: Dehydroepiandrosterone; LC-APPI-QQ; MS
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 MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$CHROMATOGRAPHY: RETENTION_TIME 0.821067 min
MS$FOCUSED_ION: BASE_PEAK 253.300003
MS$FOCUSED_ION: ION_TYPE [M-2H2O+H]+,[M-H2O+H]+
PK$SPLASH: splash10-0uk9-0090000000-9bc7fe09db6ad3dd2733
PK$NUM_PEAK: 194
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//
