MassBank Record: PB005705



 Kaempferol; 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: PB005705
RECORD_TITLE: Kaempferol; 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: 2141
COMMENT: CONFIDENCE: confident structure

CH$NAME: Kaempferol CH$NAME: 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C15H10O6 CH$EXACT_MASS: 286.04774 CH$SMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O CH$IUPAC: InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H CH$LINK: INCHIKEY IYRMWMYZSQPJKC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5280863
AC$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$SPLASH: splash10-000i-0290000000-9d940e3fc827408f9272 PK$NUM_PEAK: 77 PK$PEAK: m/z int. rel.int. 121.026 210.210 20 129.071 20.020 1 133.026 60.060 5 135.041 50.050 4 137.021 200.200 19 138.025 10.010 0 139.051 20.020 1 141.066 10.010 0 145.062 90.090 8 147.042 210.210 20 148.049 10.010 0 149.023 10.010 0 153.016 1421.421 141 154.023 70.070 6 157.062 220.220 21 158.068 10.010 0 161.058 60.060 5 165.017 510.510 50 166.021 60.060 5 167.047 10.010 0 168.053 10.010 0 169.067 10.010 0 171.042 70.070 6 175.040 10.010 0 175.074 10.010 0 183.026 210.210 20 184.037 10.010 0 185.056 250.250 24 186.062 10.010 0 188.045 10.010 0 189.050 40.040 3 191.029 10.010 0 194.015 20.020 1 195.039 10.010 0 197.055 50.050 4 199.036 20.020 1 201.053 20.020 1 203.038 10.010 0 203.070 70.070 6 212.045 40.040 3 213.051 1101.101 109 213.127 10.010 0 214.055 90.090 8 215.063 10.010 0 216.039 70.070 6 217.047 50.050 4 218.056 10.010 0 219.063 20.020 1 223.038 30.030 2 224.043 10.010 0 229.044 210.210 20 230.052 50.050 4 231.061 570.571 56 232.061 30.030 2 234.947 20.020 1 240.036 20.020 1 241.045 660.661 65 242.050 110.110 10 243.062 90.090 8 244.069 10.010 0 245.040 30.030 2 246.046 10.010 0 257.040 40.040 3 258.048 1121.121 111 258.154 10.010 0 259.055 530.530 52 260.057 50.050 4 263.051 20.020 1 269.039 220.220 21 270.043 20.020 1 285.032 20.020 1 286.039 20.020 1 287.050 10000.000 999 287.214 10.010 0 287.590 10.010 0 288.053 1231.231 122 289.057 40.040 3 //