MassBank Record: FFF00138



 5-beta-Androstan-17-beta-ol-3-one; LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00138
RECORD_TITLE: 5-beta-Androstan-17-beta-ol-3-one; LC-APPI-QQ; MS2; CE:60 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$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min
MS$FOCUSED_ION: BASE_PEAK 105.099998 MS$FOCUSED_ION: PRECURSOR_M/Z 273.100000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-054o-9400000000-eba4157d45d0225bbf69 PK$NUM_PEAK: 274 PK$PEAK: m/z int. rel.int. 38.900002 3701.000000 1 39.099998 9252.500000 2 40.000000 11103.000000 2 41.160377 196153.000000 35 42.299999 18505.000000 3 43.080000 222060.000000 40 44.500000 3701.000000 1 44.799999 1850.500000 1 45.099998 1850.500000 1 48.200001 1850.500000 1 50.400002 5551.500000 1 50.599998 1850.500000 1 50.799999 1850.500000 1 51.000000 3701.000000 1 51.700001 1850.500000 1 52.000000 3701.000000 1 52.200001 3701.000000 1 53.114286 129535.000000 23 55.114591 1471147.500000 264 56.058332 22206.000000 4 57.163265 90674.500000 16 58.650000 3701.000000 1 59.000000 1850.500000 1 59.400002 3701.000000 1 63.233334 11103.000000 2 63.599998 1850.500000 1 63.850000 3701.000000 1 65.170770 240565.000000 43 67.127190 3042222.000000 545 69.055294 314585.000000 56 70.350002 7402.000000 1 71.124998 14804.000000 3 72.199997 1850.500000 1 73.300003 1850.500000 1 74.099998 1850.500000 1 75.000000 3701.000000 1 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