MassBank Record: FFF00183



 Epiandrosterone; LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00183
RECORD_TITLE: Epiandrosterone; LC-APPI-QQ; MS2; CE:30 V; [M-H2O+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$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min
MS$FOCUSED_ION: BASE_PEAK 147.300003 MS$FOCUSED_ION: PRECURSOR_M/Z 273.300000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-0a4j-1920000000-539c4b605717c01d4456 PK$NUM_PEAK: 247 PK$PEAK: m/z int. rel.int. 38.700001 1350.500000 1 40.250000 2701.000000 1 41.299999 2701.000000 1 42.500000 2701.000000 1 42.850000 10804.000000 2 43.275000 5402.000000 1 50.900002 1350.500000 1 52.900002 1350.500000 1 53.099998 2701.000000 1 54.200001 4051.500000 1 54.599998 2701.000000 1 55.121428 37814.000000 8 55.750000 2701.000000 1 57.200001 12154.500000 3 57.400002 2701.000000 1 59.150000 2701.000000 1 64.800003 2701.000000 1 65.099998 4051.500000 1 65.599998 2701.000000 1 66.300003 4051.500000 1 67.096581 158008.500000 34 68.199997 1350.500000 1 68.935295 45917.000000 10 69.246154 35113.000000 8 70.000000 1350.500000 1 71.033333 16206.000000 3 71.500000 2701.000000 1 72.900002 1350.500000 1 75.500000 1350.500000 1 75.950001 2701.000000 1 76.199997 1350.500000 1 77.088234 45917.000000 10 77.800003 4051.500000 1 78.000000 5402.000000 1 79.073034 480778.000000 103 81.112102 848114.000000 182 82.545833 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