MassBank Record: FFF00140



 5-beta-Androstan-17-beta-ol-3-one; LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00140
RECORD_TITLE: 5-beta-Androstan-17-beta-ol-3-one; LC-APPI-QQ; MS2; CE:40 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$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min
MS$FOCUSED_ION: BASE_PEAK 93.199997 MS$FOCUSED_ION: PRECURSOR_M/Z 273.100000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-052e-5910000000-8521aefa1e7b18515739 PK$NUM_PEAK: 251 PK$PEAK: m/z int. rel.int. 37.700001 1850.500000 1 38.900002 1850.500000 1 41.000000 18505.000000 4 41.400002 7402.000000 2 41.599998 1850.500000 1 41.900002 1850.500000 1 42.099998 1850.500000 1 43.181818 40711.000000 10 44.500000 1850.500000 1 49.700001 1850.500000 1 51.099998 1850.500000 1 52.799999 1850.500000 1 53.400002 5551.500000 1 53.799999 5551.500000 1 54.299999 11103.000000 3 55.075581 318286.000000 77 56.099998 1850.500000 1 57.113158 140638.000000 34 57.900002 1850.500000 1 59.400002 1850.500000 1 61.799999 1850.500000 1 64.500000 1850.500000 1 65.000000 9252.500000 2 67.109943 1302752.000000 314 69.094737 421914.000000 102 70.074999 7402.000000 2 70.400002 3701.000000 1 71.081249 29608.000000 7 72.950001 3701.000000 1 73.250000 3701.000000 1 74.199997 1850.500000 1 75.699997 1850.500000 1 76.283335 11103.000000 3 77.155881 125834.000000 30 79.045071 1839397.000000 444 81.133104 3219870.000000 777 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