MassBank Record: PB005715



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

ACCESSION: PB005715
RECORD_TITLE: Genistein; LC-ESI-QTOF; MS2; CE:25 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 25 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0g4i-0390000000-32e5ad3ba5c1dab47e34 PK$NUM_PEAK: 104 PK$PEAK: m/z int. rel.int. 115.052 60.060 5 117.068 20.020 1 119.047 90.090 8 121.027 100.100 9 127.051 20.020 1 128.060 70.070 6 129.068 50.050 4 131.047 240.240 23 131.084 20.020 1 132.052 10.010 0 133.026 40.040 3 133.063 20.020 1 134.032 10.010 0 135.041 80.080 7 136.045 10.010 0 137.022 70.070 6 141.068 500.500 49 142.072 40.040 3 144.055 60.060 5 145.028 520.520 51 146.031 20.020 1 147.042 160.160 15 147.078 70.070 6 148.081 10.010 0 149.021 1001.001 99 150.028 140.140 13 151.049 20.020 1 152.061 60.060 5 153.016 3503.503 349 154.019 210.210 20 155.046 70.070 6 157.064 70.070 6 159.042 500.500 49 160.046 40.040 3 161.054 10.010 0 163.040 30.030 2 165.016 320.320 31 166.019 10.010 0 168.055 20.020 1 169.062 1001.001 99 170.065 100.100 9 171.034 20.020 1 173.056 190.190 18 174.065 10.010 0 175.073 120.120 11 176.075 10.010 0 177.015 10.010 0 177.056 10.010 0 178.021 30.030 2 179.042 20.020 1 181.061 80.080 7 183.036 190.190 18 184.046 50.050 4 185.055 120.120 11 186.062 20.020 1 187.070 430.430 42 188.041 10.010 0 188.076 40.040 3 191.033 60.060 5 196.050 10.010 0 197.057 1231.231 122 198.060 220.220 21 199.069 30.030 2 200.044 300.300 29 201.052 230.230 22 202.056 20.020 1 203.036 20.020 1 203.067 10.010 0 205.047 10.010 0 207.038 10.010 0 209.045 10.010 0 211.035 100.100 9 213.051 350.350 34 214.058 70.070 6 215.067 5515.516 550 216.070 690.691 68 217.063 40.040 3 219.064 50.050 4 224.041 20.020 1 225.052 670.671 66 226.058 240.240 23 227.066 180.180 17 228.039 160.160 15 229.046 190.190 18 230.049 10.010 0 235.034 40.040 3 241.045 70.070 6 242.054 300.300 29 242.817 10.010 0 243.061 4534.535 452 244.064 590.591 58 245.069 20.020 1 247.057 50.050 4 252.037 30.030 2 253.046 3053.053 304 253.199 10.010 0 254.048 460.460 45 255.053 20.020 1 269.034 10.010 0 271.056 10000.000 999 271.349 10.010 0 271.427 10.010 0 272.059 1511.512 150 273.062 90.090 8 //