MassBank Record: FFF00185



 Epiandrosterone; LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00185
RECORD_TITLE: Epiandrosterone; LC-APPI-QQ; MS2; CE:10 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 273.299988 MS$FOCUSED_ION: PRECURSOR_M/Z 273.300000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-00di-0090000000-80eb6e1af33c4601d6f6 PK$NUM_PEAK: 214 PK$PEAK: m/z int. rel.int. 66.800003 2701.000000 1 69.300003 1350.500000 1 71.099998 1350.500000 1 78.800003 1350.500000 1 79.099998 5402.000000 1 79.400002 1350.500000 1 80.866667 8103.000000 1 81.350002 13505.000000 1 83.099998 8103.000000 1 83.400002 2701.000000 1 84.400002 1350.500000 1 85.037500 21608.000000 1 89.500000 17556.500000 1 90.800001 4051.500000 1 92.699997 1350.500000 1 92.960001 6752.500000 1 93.350002 2701.000000 1 94.000000 1350.500000 1 94.599998 1350.500000 1 95.099998 12154.500000 1 96.300003 1350.500000 1 97.099998 6752.500000 1 97.300003 4051.500000 1 98.599998 1350.500000 1 99.099998 9453.500000 1 103.000000 1350.500000 1 104.400002 2701.000000 1 104.699997 9453.500000 1 105.160001 20257.500000 1 105.900002 1350.500000 1 106.976787 75628.000000 1 109.057142 18907.000000 1 110.199997 1350.500000 1 110.500000 2701.000000 1 111.000000 5402.000000 1 111.300003 1350.500000 1 112.400002 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