MassBank Record: PB000167



 Kaempferol; LC-ESI-QTOF; MS2; CE:55 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB000167
RECORD_TITLE: Kaempferol; LC-ESI-QTOF; MS2; CE:55 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 55 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0v4i-2900000000-3974877b8590facbb784 PK$NUM_PEAK: 84 PK$PEAK: m/z int. rel.int. 53.036 173.989 16 55.015 297.452 28 57.067 127.768 11 65.037 834.446 82 67.017 723.638 71 68.996 3909.490 389 70.062 116.257 10 77.037 1014.060 100 78.045 89.367 7 79.054 868.102 85 81.033 493.937 48 83.013 180.756 17 89.036 107.733 9 91.052 495.079 48 93.034 834.974 82 94.041 96.837 8 95.047 331.019 32 97.028 383.304 37 103.053 232.162 22 105.039 1017.575 100 106.043 154.569 14 107.049 1532.513 152 108.023 384.886 37 109.027 645.694 63 111.043 786.028 77 115.053 1760.984 175 116.058 133.831 12 117.065 319.508 30 119.051 910.369 90 121.030 7381.371 737 122.034 222.056 21 123.042 165.554 15 125.023 183.216 17 127.049 717.223 70 128.060 2321.617 231 129.064 988.577 97 131.049 655.097 64 132.053 101.230 9 133.029 212.127 20 134.032 106.063 9 135.046 212.478 20 136.014 320.650 31 137.022 1252.197 124 139.054 787.170 77 140.059 87.680 7 141.069 273.023 26 143.049 425.308 41 144.055 105.097 9 145.061 766.344 75 147.044 905.097 89 151.042 120.387 11 153.018 10000.000 999 154.022 317.838 30 155.059 676.626 66 156.060 107.645 9 157.066 2118.629 210 158.066 118.893 10 160.053 170.475 16 161.055 387.610 37 163.041 221.441 21 165.020 592.794 58 166.030 93.937 8 167.051 203.954 19 168.059 244.376 23 171.047 675.220 66 183.041 150.439 14 184.055 407.206 39 185.063 445.870 43 187.041 135.149 12 188.051 93.409 8 195.050 132.601 12 197.058 87.654 7 201.058 155.185 14 203.037 105.185 9 212.053 95.782 8 213.059 1355.888 134 216.044 252.636 24 229.052 1097.540 108 230.056 92.091 8 241.052 179.613 16 257.053 177.065 16 258.048 185.149 17 269.043 128.910 11 285.041 122.320 11 //