MassBank Record: FFF00180



 Epiandrosterone; LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00180
RECORD_TITLE: Epiandrosterone; LC-APPI-QQ; MS2; CE:60 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$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min
MS$FOCUSED_ION: BASE_PEAK 91.000000 MS$FOCUSED_ION: PRECURSOR_M/Z 273.300000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-054o-9500000000-2ce4b66734c91c111cd6 PK$NUM_PEAK: 257 PK$PEAK: m/z int. rel.int. 37.400002 1350.500000 1 38.400002 1350.500000 1 38.700001 1350.500000 1 38.950001 8103.000000 1 39.333333 8103.000000 1 40.000000 4051.500000 1 41.100000 348429.000000 35 43.059333 405150.000000 40 43.799999 1350.500000 1 44.049999 2701.000000 1 45.250000 8103.000000 1 49.099998 1350.500000 1 50.200001 2701.000000 1 50.700001 2701.000000 1 51.212501 21608.000000 2 52.000000 4051.500000 1 53.157895 205276.000000 20 55.086450 2491672.500000 247 57.155814 116143.000000 12 58.599998 1350.500000 1 59.000000 2701.000000 1 59.400002 2701.000000 1 61.200001 1350.500000 1 61.900002 1350.500000 1 62.200001 1350.500000 1 62.900002 4051.500000 1 63.099998 2701.000000 1 63.425001 5402.000000 1 65.133600 506437.500000 50 67.105431 3680112.500000 365 69.097956 660394.500000 65 69.900002 4051.500000 1 71.109091 59422.000000 6 71.699997 2701.000000 1 72.699997 1350.500000 1 73.400002 1350.500000 1 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