ACCESSION: MSBNK-PFOS_research_group-FFF00250
RECORD_TITLE: Androsterone; LC-APPI-QQ; MS2; CE:10 V; [M-H2O+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$NAME: Androsterone
CH$COMPOUND_CLASS: Natural Product; Steroid hormone
CH$FORMULA: C₁₉H₃₀O₂
CH$EXACT_MASS: 290.22458
CH$SMILES: OC(C4)CC([H])(C3)C(C)(C4)C(C2)C(C3)C(C1)C(C)(C2)C(=O)C1
CH$IUPAC: InChI=1S/C19H30O2/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/h12-16,20H,3-11H2,1-2H3/t12-,13+,14?,15?,16?,18?,19?/m0/s1
CH$LINK: CAS 53-41-8
CH$LINK: LIPIDBANK SST0002
CH$LINK: INCHIKEY QGXBDMJGAMFCBF-LISVHTKMSA-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$FOCUSED_ION: BASE_PEAK 273.299988
MS$FOCUSED_ION: PRECURSOR_M/Z 273.300000
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+

PK$SPLASH: splash10-00di-0090000000-335d9d61614965b392dc
PK$NUM_PEAK: 184
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//