MassBank Record: PB005714



 Genistein; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB005714
RECORD_TITLE: Genistein; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
DATE: 2016.01.19 (Created 2009.02.18, modified 2013.06.04)
AUTHORS: Heinz T, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 2181
COMMENT: CONFIDENCE: confident structure

CH$NAME: Genistein CH$NAME: 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C15H10O5 CH$EXACT_MASS: 270.05282 CH$SMILES: C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)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: INCHIKEY TZBJGXHYKVUXJN-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5280961
AC$INSTRUMENT: micrOTOF-Q AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-0090000000-124c837f947147cccd5c PK$NUM_PEAK: 40 PK$PEAK: m/z int. rel.int. 119.047 10.010 0 121.028 10.010 0 131.048 10.010 0 141.068 20.020 1 145.027 110.110 10 147.043 10.010 0 147.077 10.010 0 149.021 160.160 15 150.027 20.020 1 153.016 570.571 56 154.019 20.020 1 159.042 70.070 6 165.016 60.060 5 169.063 60.060 5 173.058 20.020 1 175.073 10.010 0 183.032 10.010 0 187.068 50.050 4 197.058 120.120 11 200.045 10.010 0 201.052 20.020 1 211.035 10.010 0 213.052 30.030 2 215.067 1341.341 133 216.070 160.160 15 225.052 130.130 12 226.058 30.030 2 227.065 40.040 3 228.045 20.020 1 229.046 20.020 1 242.051 30.030 2 243.062 1381.381 137 244.066 160.160 15 247.055 10.010 0 253.046 660.661 65 254.049 90.090 8 271.056 10000.000 999 271.352 10.010 0 272.060 1321.321 131 273.062 80.080 7 //