ACCESSION: MSBNK-PFOS_research_group-FFF00260
RECORD_TITLE: Androstenedione; LC-APPI-QQ; MS2; CE:40 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$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min
MS$FOCUSED_ION: BASE_PEAK 97.099998
MS$FOCUSED_ION: PRECURSOR_M/Z 287.300000
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-052b-9810000000-f1b2ef00f59a830b6a00
PK$NUM_PEAK: 241
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//
