MassBank Record: PB004122



 Kaempferol; LC-ESI-QQ; MS2; CE:30 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB004122
RECORD_TITLE: Kaempferol; LC-ESI-QQ; MS2; CE:30 eV; [M+H]+
DATE: 2016.01.19 (Created 2009.04.29, modified 2013.06.04)
AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 3321
COMMENT: CONFIDENCE: confident structure

CH$NAME: Kaempferol CH$NAME: 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one CH$COMPOUND_CLASS: Natural Product; Flavonoids CH$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: TSQ QUANTUM AM AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0f79-0970000000-ca953d330ffd7b6b0f26 PK$NUM_PEAK: 115 PK$PEAK: m/z int. rel.int. 65.000 33.004 2 67.000 36.858 2 69.000 478.766 46 71.000 17.188 0 77.000 161.628 15 79.000 98.534 8 81.000 57.769 4 83.000 13.524 0 89.000 11.892 0 91.000 46.708 3 93.000 351.240 34 94.000 37.951 2 95.000 35.096 2 97.000 22.992 1 99.000 13.442 0 103.000 81.787 7 105.000 312.200 30 107.000 306.925 29 109.000 374.641 36 110.000 15.207 0 111.000 546.921 53 115.000 129.384 11 117.000 21.013 1 119.000 94.030 8 121.000 2479.026 246 123.000 30.480 2 124.000 15.127 0 125.000 26.215 1 126.000 16.901 0 127.000 150.357 14 128.000 157.339 14 129.000 171.043 16 131.000 85.365 7 132.000 15.781 0 133.000 547.275 53 134.000 25.851 1 135.000 132.448 12 136.000 86.093 7 137.000 1151.646 114 138.000 10.248 0 139.000 90.120 8 141.000 213.681 20 143.000 47.009 3 145.000 335.790 32 147.000 702.441 69 149.000 44.635 3 151.000 31.274 2 152.000 18.090 0 153.000 5942.044 593 155.000 35.295 2 157.000 938.102 92 159.000 14.742 0 160.000 38.378 2 161.000 340.055 33 163.000 55.492 4 165.000 3127.685 311 166.000 24.487 1 167.000 51.176 4 168.000 30.862 2 169.000 102.681 9 171.000 395.453 38 173.000 71.471 6 174.000 17.526 0 175.000 280.666 27 179.000 79.476 6 181.000 11.547 0 183.000 68.714 5 184.000 84.158 7 185.000 854.659 84 187.000 17.179 0 188.000 53.605 4 189.000 229.084 21 190.000 16.372 0 191.000 20.071 1 193.000 64.851 5 194.000 52.710 4 195.000 85.175 7 197.000 229.816 21 199.000 122.491 11 200.000 20.279 1 201.000 72.491 6 202.000 27.235 1 203.000 239.702 22 207.000 14.468 0 212.000 114.662 10 213.000 2407.431 239 216.000 111.209 10 217.000 114.619 10 218.000 50.194 4 219.000 20.446 1 223.000 56.011 4 225.000 25.402 1 227.000 25.422 1 229.000 357.116 34 230.000 11.216 0 231.000 666.640 65 232.000 31.036 2 240.000 25.218 1 241.000 1013.688 100 242.000 67.198 5 243.000 121.867 11 244.000 18.452 0 245.000 92.557 8 251.000 12.223 0 252.000 18.179 0 257.000 34.786 2 258.000 1786.565 177 259.000 478.882 46 263.000 12.175 0 268.000 11.374 0 269.000 161.340 15 270.000 27.945 1 285.000 30.781 2 286.000 14.554 0 287.000 10000.000 999 //