ACCESSION: MSBNK-PFOS_research_group-FFF00144
RECORD_TITLE: 5-beta-Androstan-17-beta-ol-3-one; LC-APPI-QQ; MS
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$NAME: 5-beta-Androstan-17-beta-ol-3-one
CH$NAME: 5-beta-Dihydrotestosterone
CH$NAME: Etiocholane-17-beta-ol-3-one
CH$COMPOUND_CLASS: Natural Product; Steroid hormone
CH$FORMULA: C₁₉H₃₀O₂
CH$EXACT_MASS: 290.22458
CH$SMILES: O=C(C4)CC([H])(C3)C(C)(C4)C(C2)C(C3)C(C1)C(C)(C2)C(O)C1
CH$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/h12,14-17,21H,3-11H2,1-2H3/t12-,14?,15?,16?,17+,18?,19?/m1/s1
CH$LINK: CAS 571-22-2
CH$LINK: INCHIKEY NVKAWKQGWWIWPM-NOLKSFPRSA-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 0.821083 min

MS$FOCUSED_ION: BASE_PEAK 255.100006
MS$FOCUSED_ION: ION_TYPE [M-2H2O+H]+,[M-H2O+H]+

PK$SPLASH: splash10-0ab9-0092000000-9387e7143382f948d996
PK$NUM_PEAK: 102
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//