MassBank Record: PB000884



 Genistein; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB000884
RECORD_TITLE: Genistein; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.04.15, modified 2013.06.04)
AUTHORS: Boettcher C, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 441
COMMENT: CONFIDENCE: confident structure

CH$NAME: Genistein CH$NAME: 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one CH$COMPOUND_CLASS: Natural Product; Isoflavone CH$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$LINK: KEGG C06563 CH$LINK: PUBCHEM CID:5280961
AC$INSTRUMENT: API QSTAR Pulsar i AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0uxu-0940000000-c018563cc751d4f71058 PK$NUM_PEAK: 64 PK$PEAK: m/z int. rel.int. 65.038 133.181 12 67.018 275.712 26 68.997 478.147 46 89.038 118.721 10 91.054 2949.554 293 95.013 127.202 11 103.054 138.835 12 105.034 154.599 14 107.048 478.147 46 109.026 210.481 20 111.006 364.210 35 115.052 583.279 57 117.067 360.622 35 119.047 1993.912 198 121.026 1287.236 127 127.050 123.288 11 128.059 232.442 22 129.067 274.734 26 131.048 939.878 92 133.030 179.713 16 135.042 407.697 39 137.022 406.067 39 141.068 2058.056 204 144.054 260.274 25 145.027 1718.852 170 147.043 573.168 56 149.021 2936.508 292 150.028 287.236 27 151.051 113.394 10 152.060 225.810 21 153.015 10000.000 999 154.020 131.550 12 155.050 446.619 43 157.064 188.193 17 159.046 1590.563 158 163.041 132.420 12 165.020 1103.501 109 168.059 158.621 14 169.066 2835.399 282 173.061 550.772 54 175.077 368.015 35 178.028 107.067 9 181.068 156.338 14 183.044 539.791 52 185.062 233.312 22 187.074 1024.244 101 191.037 215.917 20 197.061 2774.516 276 198.067 144.923 13 200.048 513.590 50 201.055 430.202 42 211.041 177.865 16 213.056 394.216 38 215.070 5437.052 542 216.069 171.885 16 225.053 681.452 67 226.060 179.496 16 227.068 161.992 15 228.039 223.309 21 229.049 178.408 16 242.057 316.591 30 243.065 3558.382 354 253.049 2167.863 215 271.057 3716.025 370 //