MassBank Record: PB000166



 Kaempferol; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+ 
Mass Spectrum
Chemical Structure


ACCESSION: PB000166
RECORD_TITLE: Kaempferol; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.01.03, modified 2013.06.04)
AUTHORS: Boettcher C, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 141
COMMENT: CONFIDENCE: confident structure

CH$NAME: Kaempferol CH$NAME: 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one CH$COMPOUND_CLASS: Natural Product; Flavonol CH$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: 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$SPLASH: splash10-0fe0-0940000000-44ac005000d078497e5d PK$NUM_PEAK: 66 PK$PEAK: m/z int. rel.int. 55.051 85.688 7 67.018 73.557 6 68.996 451.431 44 69.070 228.033 21 77.037 72.422 6 79.054 155.702 14 81.035 72.376 6 93.032 169.514 15 103.053 93.821 8 105.037 470.695 46 107.050 726.034 71 109.028 476.602 46 111.012 1125.852 111 115.052 214.630 20 117.068 160.382 15 119.047 203.271 19 121.028 5992.730 598 122.032 151.522 14 127.043 224.716 21 128.060 175.738 16 129.067 344.843 33 131.049 105.043 9 133.031 741.936 73 135.047 354.748 34 136.017 160.064 15 137.023 1808.723 179 139.053 121.945 11 141.070 251.022 24 143.051 113.448 10 145.060 544.298 53 147.045 1243.980 123 153.018 10000.000 999 154.021 240.073 23 155.059 152.794 14 157.065 1320.309 131 161.059 429.986 41 163.042 102.135 9 165.020 3316.674 330 166.027 176.420 16 167.052 105.452 9 169.068 143.707 13 171.046 671.967 66 173.059 120.763 11 175.057 239.891 22 183.034 574.284 56 184.053 133.939 12 185.063 981.372 97 189.058 231.304 22 197.062 211.404 20 201.056 114.584 10 203.059 347.933 33 213.059 2688.323 267 214.061 134.848 12 216.045 183.598 17 217.055 139.800 12 229.049 594.275 58 231.067 1167.197 115 241.053 1430.259 142 242.058 178.828 16 243.066 207.769 19 245.046 165.425 15 258.058 1884.144 187 259.067 711.495 70 269.053 224.080 21 287.055 8237.165 822 288.057 423.489 41 //