MassBank Record: PB004123



 Kaempferol; LC-ESI-QQ; MS2; CE:35 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB004123
RECORD_TITLE: Kaempferol; LC-ESI-QQ; MS2; CE:35 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 35 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0udi-1920000000-12a295288f1d670f87fc PK$NUM_PEAK: 135 PK$PEAK: m/z int. rel.int. 43.000 30.563 2 53.000 23.828 1 55.000 16.168 0 57.000 13.569 0 65.000 271.853 26 66.000 35.261 2 67.000 196.643 18 69.000 1358.143 134 71.000 26.234 1 77.000 583.293 57 79.000 372.225 36 81.000 242.671 23 83.000 36.713 2 85.000 40.542 3 89.000 30.012 2 91.000 162.023 15 93.000 1056.955 104 94.000 41.595 3 95.000 91.794 8 97.000 163.921 15 99.000 25.666 1 101.000 22.758 1 102.000 12.122 0 103.000 223.762 21 105.000 650.554 64 106.000 20.541 1 107.000 1001.612 99 108.000 92.705 8 109.000 723.345 71 110.000 22.635 1 111.000 631.565 62 113.000 11.056 0 115.000 440.587 43 117.000 157.928 14 119.000 285.662 27 120.000 10.763 0 121.000 4194.151 418 122.000 10.613 0 123.000 81.064 7 124.000 16.083 0 125.000 85.034 7 126.000 14.457 0 127.000 466.131 45 128.000 623.670 61 129.000 516.506 50 131.000 125.502 11 133.000 436.246 42 134.000 31.986 2 135.000 252.279 24 136.000 227.532 21 137.000 1691.458 168 138.000 15.831 0 139.000 333.878 32 140.000 22.414 1 141.000 342.594 33 143.000 252.435 24 144.000 23.399 1 145.000 765.497 75 146.000 29.305 1 147.000 1278.497 126 148.000 22.788 1 149.000 48.599 3 150.000 46.708 3 151.000 91.112 8 153.000 10000.000 999 155.000 115.067 10 157.000 1923.269 191 158.000 19.289 0 159.000 32.938 2 160.000 184.721 17 161.000 490.285 48 163.000 195.353 18 165.000 2474.352 246 166.000 60.554 5 167.000 186.329 17 168.000 116.624 10 169.000 86.858 7 171.000 1090.945 108 172.000 21.788 1 173.000 97.555 8 174.000 30.578 2 175.000 237.887 22 179.000 71.213 6 180.000 23.610 1 181.000 44.528 3 182.000 16.833 0 183.000 190.689 18 184.000 246.251 23 185.000 1207.075 119 187.000 45.576 3 188.000 48.932 3 189.000 98.420 8 190.000 14.611 0 191.000 40.195 3 193.000 25.075 1 194.000 43.408 3 195.000 142.305 13 196.000 28.243 1 197.000 141.662 13 199.000 67.738 5 200.000 16.949 0 201.000 215.264 20 202.000 90.398 8 203.000 277.288 26 211.000 22.977 1 212.000 88.412 7 213.000 3149.461 313 214.000 18.706 0 215.000 62.650 5 216.000 295.288 28 217.000 44.945 3 218.000 68.755 5 219.000 42.264 3 223.000 31.634 2 225.000 30.257 2 227.000 12.462 0 229.000 1071.860 106 230.000 120.850 11 231.000 397.745 38 232.000 19.387 0 235.000 29.696 1 240.000 39.927 2 241.000 793.901 78 242.000 90.943 8 243.000 105.202 9 244.000 29.101 1 245.000 99.102 8 257.000 28.783 1 258.000 1488.863 147 259.000 371.486 36 263.000 13.906 0 269.000 177.503 16 285.000 70.021 6 286.000 11.916 0 287.000 2417.231 240 //