MassBank Record: PN000005



 2'-Hydroxygenistein; ESI-TOF; MS2; CE:25 eV; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PN000005
RECORD_TITLE: 2'-Hydroxygenistein; ESI-TOF; MS2; CE:25 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: 286.04773803999996 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$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 7 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV AC$MASS_SPECTROMETRY: COLLISION_GAS argon AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.031 AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 44.7387-1204.74 AC$CHROMATOGRAPHY: RETENTION_TIME 361.026 AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
MS$FOCUSED_ION: PRECURSOR_M/Z 285.04 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]- MS$FOCUSED_ION: BASE_PEAK 133.024 MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2
PK$SPLASH: splash10-001i-0900000000-eb1c908e2b7ab5532501 PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 89.035 50 50 107.016 52 52 109.023 39 39 121.033 50 50 123.039 84 84 131.047 51 51 132.019 77 77 133.028 999 999 134.030 81 81 143.048 44 44 145.036 62 62 146.039 27 27 147.032 74 74 148.019 106 106 149.024 253 253 151.020 60 60 157.034 66 66 171.047 90 90 172.047 32 32 173.038 67 67 174.036 34 34 175.039 258 258 176.037 34 34 185.051 45 45 187.038 53 53 189.053 29 29 195.045 43 43 198.031 64 64 199.038 108 108 201.017 62 62 211.040 35 35 215.031 43 43 217.053 45 45 229.048 36 36 240.045 39 39 //