ACCESSION: MSBNK-PFOS_research_group-FFF00259
RECORD_TITLE: Androstenedione; LC-APPI-QQ; MS2; CE:50 V; [M+H]+
DATE: 2016.01.19 (Created 2011.04.05, 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$NAME: Androstenedione
CH$COMPOUND_CLASS: Natural Product; Steroid hormone
CH$FORMULA: C19H26O2
CH$EXACT_MASS: 286.19328
CH$SMILES: O=C(C4)C=C(C3)C(C)(C4)C(C2)C(C3)C(C1)C(C)(C2)C(=O)C1
CH$IUPAC: InChI=1S/C19H26O2/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/h11,14-16H,3-10H2,1-2H3/t14?,15?,16?,18-,19-/m0/s1
CH$LINK: CAS
63-05-8
CH$LINK: LIPIDBANK
SST0028
CH$LINK: INCHIKEY
AEMFNILZOJDQLW-WFZCBACDSA-N
CH$LINK: COMPTOX
DTXSID40424100
AC$INSTRUMENT: API2000
AC$INSTRUMENT_TYPE: LC-APPI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min
MS$FOCUSED_ION: BASE_PEAK 97.000000
MS$FOCUSED_ION: PRECURSOR_M/Z 287.300000
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-052b-9600000000-6f64cc9b658c930e0726
PK$NUM_PEAK: 263
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//
