MassBank Record: FFF00141



 5-beta-Androstan-17-beta-ol-3-one; LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00141
RECORD_TITLE: 5-beta-Androstan-17-beta-ol-3-one; LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+
DATE: 2016.01.19 (2011.04.04, 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$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min
MS$FOCUSED_ION: BASE_PEAK 255.300003 MS$FOCUSED_ION: PRECURSOR_M/Z 273.100000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-0a4j-1940000000-bb6218fc28fdea58aeb9 PK$NUM_PEAK: 250 PK$PEAK: m/z int. rel.int. 38.700001 1850.500000 1 41.049999 7402.000000 1 41.299999 1850.500000 1 42.200001 1850.500000 1 42.650000 3701.000000 1 42.966667 11103.000000 1 43.299999 9252.500000 1 43.900002 1850.500000 1 45.400002 1850.500000 1 52.900002 1850.500000 1 53.200001 1850.500000 1 54.099998 1850.500000 1 54.350000 7402.000000 1 54.599998 3701.000000 1 55.163636 40711.000000 4 55.599998 1850.500000 1 55.799999 3701.000000 1 57.241177 62917.000000 7 58.700001 5551.500000 1 59.000000 1850.500000 1 59.200001 1850.500000 1 64.850002 3701.000000 1 65.300003 1850.500000 1 66.099998 5551.500000 1 67.099438 329389.000000 36 68.000000 9252.500000 1 68.483334 11103.000000 1 69.208162 90674.500000 10 69.900002 3701.000000 1 70.099998 3701.000000 1 70.500000 3701.000000 1 70.900002 5551.500000 1 71.199997 7402.000000 1 71.500000 1850.500000 1 73.099998 1850.500000 1 73.300003 1850.500000 1 74.800003 1850.500000 1 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