MassBank Record: FFF00139



 5-beta-Androstan-17-beta-ol-3-one; LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00139
RECORD_TITLE: 5-beta-Androstan-17-beta-ol-3-one; LC-APPI-QQ; MS2; CE:50 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 91.199997 MS$FOCUSED_ION: PRECURSOR_M/Z 273.100000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-05nf-9700000000-eb8f9e98af0fe28de6c3 PK$NUM_PEAK: 247 PK$PEAK: m/z int. rel.int. 38.700001 1850.500000 1 38.900002 3701.000000 1 39.400002 3701.000000 1 40.299999 3701.000000 1 41.224999 44412.000000 9 42.200001 7402.000000 2 42.420001 18505.000000 4 43.051111 166545.000000 35 43.700001 1850.500000 1 43.900002 1850.500000 1 44.200001 1850.500000 1 45.099998 1850.500000 1 51.250000 7402.000000 2 52.400002 1850.500000 1 52.940001 27757.500000 6 53.333333 22206.000000 5 55.081538 962260.000000 202 56.060000 9252.500000 2 57.123333 222060.000000 47 57.700001 1850.500000 1 58.000000 1850.500000 1 58.799999 1850.500000 1 59.599998 1850.500000 1 63.799999 3701.000000 1 64.149998 3701.000000 1 64.902631 70319.000000 15 67.132147 3068129.000000 645 69.121165 603263.000000 127 70.000000 3701.000000 1 70.400002 3701.000000 1 70.988235 31458.500000 7 71.300003 20355.500000 4 73.300003 1850.500000 1 74.800003 1850.500000 1 75.199997 1850.500000 1 77.067331 928951.000000 195 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