MassBank Record: FFF00190



 Epiandrosterone; LC-APPI-QQ; MS2; CE:20 V; [M-2H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00190
RECORD_TITLE: Epiandrosterone; LC-APPI-QQ; MS2; CE:20 V; [M-2H2O+H]+
DATE: 2016.01.19 (2011.04.05, 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$NAME: Epiandrosterone CH$NAME: 3-beta-Hydroxy-5alpha-androstan-17-one CH$COMPOUND_CLASS: Natural Product; Steroid hormone CH$FORMULA: C19H30O2 CH$EXACT_MASS: 290.22458 CH$SMILES: OC(C4)CC([H])(C3)C(C)(C4)C(C2)C(C3)C(C1)C(C)(C2)C(=O)C1 CH$IUPAC: InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14?,15?,16?,18?,19?/m0/s1 CH$LINK: CAS 481-29-8 CH$LINK: LIPIDBANK SST0205 CH$LINK: INCHIKEY QGXBDMJGAMFCBF-CYFBJHQBSA-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 255.300003 MS$FOCUSED_ION: PRECURSOR_M/Z 255.300000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-2H2O+H]+
PK$SPLASH: splash10-0a4i-0590000000-6e80587be243ad68e4e1 PK$NUM_PEAK: 212 PK$PEAK: m/z int. rel.int. 38.500000 1350.500000 1 38.799999 1350.500000 1 39.000000 1350.500000 1 39.799999 1350.500000 1 40.700001 1350.500000 1 41.000000 2701.000000 1 41.350000 5402.000000 1 42.799999 2701.000000 1 43.250000 2701.000000 1 44.400002 1350.500000 1 51.200001 1350.500000 1 52.700001 1350.500000 1 53.175000 5402.000000 1 54.500000 5402.000000 1 55.030435 62123.000000 1 55.599998 1350.500000 1 56.500000 1350.500000 1 56.700001 4051.500000 1 59.099998 1350.500000 1 64.300003 1350.500000 1 65.000000 2701.000000 1 65.599998 8103.000000 1 66.039999 6752.500000 1 67.053873 383542.000000 3 67.900002 4051.500000 1 69.039623 143153.000000 1 70.750000 8103.000000 1 71.000000 9453.500000 1 71.300003 2701.000000 1 75.300003 1350.500000 1 76.099998 1350.500000 1 76.400002 2701.000000 1 76.800003 9453.500000 1 77.000000 14855.500000 1 77.370002 13505.000000 1 77.883335 8103.000000 1 79.008122 532097.000000 4 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