MassBank Record: FFF00187



 Epiandrosterone; LC-APPI-QQ; MS2; CE:50 V; [M-2H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00187
RECORD_TITLE: Epiandrosterone; LC-APPI-QQ; MS2; CE:50 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$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min
MS$FOCUSED_ION: BASE_PEAK 91.000000 MS$FOCUSED_ION: PRECURSOR_M/Z 255.300000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-2H2O+H]+
PK$SPLASH: splash10-05nf-9800000000-7533b5262df3a8328ad2 PK$NUM_PEAK: 216 PK$PEAK: m/z int. rel.int. 38.450001 5402.000000 1 39.062500 21608.000000 1 41.107675 615828.000000 29 41.925001 5402.000000 1 43.103603 299811.000000 14 44.799999 1350.500000 1 45.200001 1350.500000 1 49.850000 2701.000000 1 50.299999 1350.500000 1 50.500000 4051.500000 1 50.700001 4051.500000 1 50.957144 18907.000000 1 53.071053 307914.000000 15 55.082431 5365536.500000 253 56.231250 21608.000000 1 57.102778 97236.000000 5 57.799999 1350.500000 1 58.500000 1350.500000 1 58.700001 1350.500000 1 59.000000 1350.500000 1 61.299999 2701.000000 1 61.900002 1350.500000 1 62.650000 2701.000000 1 63.099998 2701.000000 1 63.299999 1350.500000 1 63.500000 1350.500000 1 65.090625 691456.000000 33 67.118251 11706134.000000 552 69.119021 1902854.500000 90 70.500000 1350.500000 1 71.099998 4051.500000 1 71.400002 2701.000000 1 72.800003 1350.500000 1 73.350002 2701.000000 1 73.750000 2701.000000 1 74.025000 5402.000000 1 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