MassBank Record: FFF00142



 5-beta-Androstan-17-beta-ol-3-one; LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00142
RECORD_TITLE: 5-beta-Androstan-17-beta-ol-3-one; LC-APPI-QQ; MS2; CE:20 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 273.299988 MS$FOCUSED_ION: PRECURSOR_M/Z 273.100000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-05fr-0390000000-5cc8ab57d666eb54ba32 PK$NUM_PEAK: 249 PK$PEAK: m/z int. rel.int. 39.000000 1850.500000 1 42.700001 1850.500000 1 43.000000 1850.500000 1 43.200001 1850.500000 1 53.299999 1850.500000 1 54.900002 3701.000000 1 55.200001 3701.000000 1 55.799999 1850.500000 1 56.725000 7402.000000 1 57.275001 14804.000000 1 66.199997 3701.000000 1 67.056249 29608.000000 1 67.300003 24056.500000 1 67.599998 3701.000000 1 67.900002 1850.500000 1 68.450001 3701.000000 1 69.016666 22206.000000 1 69.900002 1850.500000 1 70.400002 1850.500000 1 70.800003 3701.000000 1 71.000000 7402.000000 1 76.900002 1850.500000 1 77.500000 3701.000000 1 78.000000 5551.500000 1 78.350002 3701.000000 1 79.133332 33309.000000 1 79.800003 3701.000000 1 80.300003 5551.500000 1 81.122857 259070.000000 10 82.099998 1850.500000 1 82.460001 9252.500000 1 82.900002 27757.500000 1 83.900002 1850.500000 1 84.099998 1850.500000 1 84.400002 1850.500000 1 85.099998 18505.000000 1 89.900002 1850.500000 1 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