MassBank Record: FFF00182



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

ACCESSION: FFF00182
RECORD_TITLE: Epiandrosterone; LC-APPI-QQ; MS2; CE:40 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$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min
MS$FOCUSED_ION: BASE_PEAK 104.900002 MS$FOCUSED_ION: PRECURSOR_M/Z 273.300000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-0a4m-4900000000-726e2975d315575d1369 PK$NUM_PEAK: 249 PK$PEAK: m/z int. rel.int. 38.799999 1350.500000 1 39.000000 1350.500000 1 39.799999 1350.500000 1 41.140000 13505.000000 4 43.116216 49968.500000 14 45.099998 1350.500000 1 50.799999 1350.500000 1 51.000000 1350.500000 1 51.400002 1350.500000 1 51.700001 2701.000000 1 52.400002 1350.500000 1 53.000000 4051.500000 1 53.266666 8103.000000 2 54.000000 5402.000000 1 55.121084 224183.000000 61 56.000000 1350.500000 1 56.299999 2701.000000 1 57.166666 24309.000000 7 59.500000 1350.500000 1 62.000000 2701.000000 1 62.700001 1350.500000 1 63.900002 1350.500000 1 64.300003 4051.500000 1 64.500000 5402.000000 1 64.733332 8103.000000 2 65.179997 13505.000000 4 65.500000 9453.500000 3 67.101034 783290.000000 214 68.300003 6752.500000 2 69.064239 203925.500000 56 70.300003 2701.000000 1 70.599998 6752.500000 2 70.955556 24309.000000 7 71.199997 14855.500000 4 71.599998 2701.000000 1 71.900002 1350.500000 1 73.000000 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