MassBank Record: PN000006



 2'-Hydroxygenistein; ESI-TOF; MS2; CE:15 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PN000006
RECORD_TITLE: 2'-Hydroxygenistein; ESI-TOF; MS2; CE:15 eV; [M+H]+
DATE: 2011.03.19
AUTHORS: , Institute of Bioorganic Chemistry, Polish Academy of Sciences,Poland/Anna Staszków
LICENSE: CC BY-SA
COPYRIGHT: Copyright(C) 2011
COMMENT: lupinus_mexico

CH$NAME: 2'-Hydroxygenistein CH$NAME: 2'-Hydroxy-genistein CH$NAME: 5,7,2',4'-Tetrahydroxyisoflavone CH$COMPOUND_CLASS: Natural Product; isoflavone CH$FORMULA: C15H10O6 CH$EXACT_MASS: 286.04773804 CH$SMILES: OC1=CC=C(C(O)=C1)C2=COC3=CC(O)=CC(O)=C3(C2(=O)) CH$IUPAC: InChI=1S/C15H10O6/c16-7-1-2-9(11(18)3-7)10-6-21-13-5-8(17)4-12(19)14(13)15(10)20/h1-6,16-19H CH$LINK: PUBCHEM CID:5282074 CH$LINK: CAS 1156-78-1 CH$LINK: INCHIKEY GSSOWCUOWLMMRJ-UHFFFAOYSA-N
AC$INSTRUMENT: micrOTOF-Q AC$INSTRUMENT_TYPE: ESI-TOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 eV AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 7 AC$MASS_SPECTROMETRY: COLLISION_GAS argon AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.026 AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 49.999-1000 AC$CHROMATOGRAPHY: RETENTION_TIME 356.6 AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
MS$FOCUSED_ION: PRECURSOR_M/Z 287.051 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$FOCUSED_ION: BASE_PEAK 153.017 MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2
PK$SPLASH: splash10-0gb9-0920000000-86ef9d569e8b10bc7774 PK$NUM_PEAK: 40 PK$PEAK: m/z int. rel.int. 89.037 42 42 91.054 108 108 103.052 134 134 107.049 375 375 109.027 94 94 111.005 55 55 115.053 413 413 119.050 69 69 121.062 159 159 123.043 103 103 124.016 108 108 128.061 103 103 131.051 72 72 132.056 46 46 133.063 200 200 137.020 42 42 143.046 68 68 145.063 86 86 147.041 316 316 149.030 41 41 153.017 999 999 154.021 62 62 157.063 133 133 160.051 82 82 161.054 258 258 162.057 44 44 163.037 125 125 171.042 261 261 175.041 66 66 185.059 86 86 189.051 324 324 191.032 49 49 199.035 44 44 200.044 49 49 203.036 94 94 213.051 139 139 216.039 224 224 217.045 880 880 218.051 180 180 269.037 44 44 //