MassBank Record: FFF00181



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

ACCESSION: FFF00181
RECORD_TITLE: Epiandrosterone; LC-APPI-QQ; MS2; CE:50 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 105.000000 MS$FOCUSED_ION: PRECURSOR_M/Z 273.300000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-05ox-9800000000-99ab629191e6f7c34832 PK$NUM_PEAK: 275 PK$PEAK: m/z int. rel.int. 37.599998 1350.500000 1 38.799999 1350.500000 1 39.200001 1350.500000 1 39.500000 1350.500000 1 39.900002 2701.000000 1 41.070213 63473.500000 15 41.599998 4051.500000 1 41.900000 4051.500000 1 42.200001 6752.500000 2 43.087951 112091.500000 26 44.799999 1350.500000 1 50.549999 2701.000000 1 50.799999 5402.000000 1 51.400002 2701.000000 1 52.299999 1350.500000 1 53.130000 54020.000000 12 55.066497 794094.000000 181 56.299999 2701.000000 1 57.107143 37814.000000 9 57.400002 9453.500000 2 57.799999 1350.500000 1 58.299999 1350.500000 1 58.900002 2701.000000 1 59.099998 1350.500000 1 59.500000 1350.500000 1 62.250000 2701.000000 1 62.750000 2701.000000 1 63.650000 2701.000000 1 64.500000 5402.000000 1 65.066667 81030.000000 19 65.800003 14855.500000 3 67.135253 1547673.000000 354 69.066372 305213.000000 70 70.099998 5402.000000 1 71.052380 28360.500000 6 72.599998 1350.500000 1 72.800003 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