MassBank Record: FFF00188



 Epiandrosterone; LC-APPI-QQ; MS2; CE:40 V; [M-2H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00188
RECORD_TITLE: Epiandrosterone; LC-APPI-QQ; MS2; CE:40 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 81.099998 MS$FOCUSED_ION: PRECURSOR_M/Z 255.300000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-2H2O+H]+
PK$SPLASH: splash10-0537-6900000000-01b19e4b22af0916face PK$NUM_PEAK: 201 PK$PEAK: m/z int. rel.int. 38.250000 2701.000000 1 38.900002 4051.500000 1 39.099998 2701.000000 1 39.400002 2701.000000 1 39.700001 2701.000000 1 40.299999 4051.500000 1 41.200000 78329.000000 5 42.000000 4051.500000 1 43.093125 216080.000000 13 49.900002 1350.500000 1 50.200001 1350.500000 1 50.574999 5402.000000 1 51.200001 5402.000000 1 51.400002 2701.000000 1 51.650000 2701.000000 1 52.100000 5402.000000 1 52.872728 29711.000000 2 53.226667 40515.000000 2 53.799999 16206.000000 1 54.000000 16206.000000 1 55.086696 2456559.500000 151 56.387500 21608.000000 1 57.130000 162060.000000 10 57.599998 5402.000000 1 57.900002 2701.000000 1 58.150000 2701.000000 1 58.700001 1350.500000 1 58.900002 4051.500000 1 59.200001 2701.000000 1 62.299999 1350.500000 1 62.599998 1350.500000 1 62.825000 5402.000000 1 63.150000 2701.000000 1 63.599998 1350.500000 1 63.900002 4051.500000 1 65.114036 153957.000000 9 67.116180 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