MassBank Record: FFF00189



 Epiandrosterone; LC-APPI-QQ; MS2; CE:30 V; [M-2H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00189
RECORD_TITLE: Epiandrosterone; LC-APPI-QQ; MS2; CE:30 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 255.399994 MS$FOCUSED_ION: PRECURSOR_M/Z 255.300000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-2H2O+H]+
PK$SPLASH: splash10-0a4j-2920000000-e9e8bbaaccc12f6e1895 PK$NUM_PEAK: 208 PK$PEAK: m/z int. rel.int. 38.799999 2701.000000 1 39.299999 1350.500000 1 40.400000 4051.500000 1 40.776471 22958.500000 1 41.163635 14855.500000 1 42.000000 1350.500000 1 43.116666 32412.000000 1 45.200001 1350.500000 1 51.000000 2701.000000 1 51.350000 2701.000000 1 52.599998 1350.500000 1 52.966667 8103.000000 1 53.500000 8103.000000 1 53.700001 1350.500000 1 53.900002 4051.500000 1 55.076142 532097.000000 16 56.200001 5402.000000 1 56.400002 2701.000000 1 57.099998 32412.000000 1 57.362501 21608.000000 1 57.599998 2701.000000 1 59.000000 1350.500000 1 64.099998 1350.500000 1 65.079412 45917.000000 1 67.116802 2990007.000000 88 69.157292 907536.000000 27 70.199999 4051.500000 1 70.500000 2701.000000 1 70.800003 5402.000000 1 71.049999 16206.000000 1 71.649998 2701.000000 1 71.900002 1350.500000 1 73.199997 1350.500000 1 75.000000 2701.000000 1 75.199997 1350.500000 1 75.400002 1350.500000 1 75.699997 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