MassBank Record: PN000051



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

ACCESSION: PN000051
RECORD_TITLE: Genistein; ESI-TOF; MS2; CE:15 eV; [M+H]+
DATE: 2011.12.09
AUTHORS: , Institute of Bioorganic Chemistry, Polish Academy of Sciences,Poland/Anna Staszków
LICENSE: CC BY-SA
COPYRIGHT: Copyright(C) 2011
COMMENT: lupinus_mexico

CH$NAME: Genistein CH$NAME: 5,7-Dihydroxy-3-(4-hydroxyphenyl)chromen-4-one CH$NAME: 4',5,7-Trihydroxyisoflavone CH$COMPOUND_CLASS: Natural Product; isoflavone CH$FORMULA: C15H10O5 CH$EXACT_MASS: 270.05282342 CH$SMILES: OC=1C=CC(=CC=1)C2=COC3=CC(O)=CC(O)=C3(C2(=O)) CH$IUPAC: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H CH$LINK: PUBCHEM CID:5280961 CH$LINK: CAS 446-72-0 CH$LINK: INCHIKEY TZBJGXHYKVUXJN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5022308
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$MASS_SPECTROMETRY: PEAK_WIDTH 0.028 AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 49.999-1000 AC$CHROMATOGRAPHY: RETENTION_TIME 429.029 AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
MS$FOCUSED_ION: PRECURSOR_M/Z 271.06 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$FOCUSED_ION: BASE_PEAK 153.018 MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2
PK$SPLASH: splash10-0fr6-2900000000-746da0d84b8a598b37b0 PK$NUM_PEAK: 42 PK$PEAK: m/z int. rel.int. 89.039 40 40 91.054 938 938 92.056 54 54 97.028 37 37 103.054 52 52 107.049 145 145 115.054 437 437 116.059 59 59 117.068 49 49 119.049 184 184 121.029 171 171 127.053 56 56 128.059 84 84 129.069 43 43 131.050 161 161 135.043 64 64 137.026 35 35 141.068 471 471 142.075 55 55 144.055 95 95 145.055 86 86 147.046 54 54 149.024 97 97 150.032 54 54 152.057 48 48 153.018 999 999 154.023 80 80 155.048 94 94 159.046 81 81 165.015 43 43 168.058 71 71 169.063 314 314 170.067 59 59 172.051 36 36 183.041 42 42 187.068 38 38 197.060 262 262 198.063 40 40 200.044 110 110 213.053 49 49 215.069 142 142 243.063 59 59 //

MassBank | Copyright Line
Copyright © since 2006 MassBank Project
Copyright © since 2011 NORMAN Association
Copyright © since 2017 MassBank Consortium
Responsible: Dr. Tobias Schulze (tobias.schulze@ufz.de)