ACCESSION: MSBNK-PFOS_research_group-FFF00146
RECORD_TITLE: 5-beta-Androstane-3-alpha,17-beta-diol; LC-APPI-QQ; MS2; CE:50 V; [M-2H2O+H]+
DATE: 2016.01.19 (Created 2011.04.04, 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$NAME: 5-beta-Androstane-3-alpha,17-beta-diol
CH$NAME: Etiocholane-3-alpha,17-beta-diol
CH$COMPOUND_CLASS: Natural Product; Steroid hormone
CH$FORMULA: C19H32O2
CH$EXACT_MASS: 292.24023
CH$SMILES: OC(C4)CC([H])(C3)C(C)(C4)C(C2)C(C3)C(C1)C(C)(C2)C(O)C1
CH$IUPAC: InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14?,15?,16?,17+,18?,19?/m1/s1
CH$LINK: CAS
1851-23-6
CH$LINK: INCHIKEY
CBMYJHIOYJEBSB-GCFMDFLISA-N
AC$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$FOCUSED_ION: BASE_PEAK 81.199997
MS$FOCUSED_ION: PRECURSOR_M/Z 257.300000
MS$FOCUSED_ION: PRECURSOR_TYPE [M-2H2O+H]+
PK$SPLASH: splash10-0apl-9300000000-cae82daabb3ff1427db5
PK$NUM_PEAK: 245
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//
