MassBank Record: PB004143



 Kaempferol; LC-ESI-QQ; MS2; CE:40 eV; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB004143
RECORD_TITLE: Kaempferol; LC-ESI-QQ; MS2; CE:40 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: 3341
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$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-05ox-0920000000-5374bcae2519affb1a80 PK$NUM_PEAK: 141 PK$PEAK: m/z int. rel.int. 41.000 24.082 1 63.000 203.040 19 65.000 1180.102 117 67.000 269.067 25 69.000 89.830 7 75.000 23.415 1 77.000 80.896 7 79.000 324.910 31 80.000 190.675 18 81.000 10.876 0 83.000 268.178 25 89.000 40.383 3 91.000 470.783 46 92.000 703.971 69 93.000 6069.791 605 94.000 86.698 7 95.000 553.256 54 96.000 11.022 0 97.000 35.672 2 102.000 17.880 0 103.000 64.677 5 104.000 75.473 6 105.000 529.482 51 106.000 11.837 0 107.000 961.010 95 108.000 2738.466 272 109.000 1288.843 127 113.000 36.420 2 115.000 534.381 52 116.000 175.341 16 117.000 10000.000 999 119.000 1359.672 134 120.000 497.663 48 121.000 775.819 76 122.000 76.676 6 123.000 783.657 77 124.000 104.383 9 126.000 101.918 9 127.000 62.921 5 128.000 119.829 10 129.000 905.055 89 130.000 1412.285 140 131.000 1944.295 193 132.000 996.537 98 133.000 1341.273 133 134.000 63.302 5 135.000 1165.475 115 136.000 340.409 33 137.000 775.350 76 139.000 293.342 28 140.000 24.253 1 141.000 1072.210 106 142.000 260.676 25 143.000 5996.374 598 144.000 211.078 20 145.000 5468.374 545 146.000 187.105 17 147.000 342.056 33 149.000 24.319 1 151.000 332.206 32 153.000 346.144 33 154.000 1856.579 184 155.000 2504.590 249 156.000 3487.600 347 157.000 3077.711 306 158.000 3262.829 325 159.000 4732.268 472 160.000 238.282 22 161.000 3235.127 322 162.000 46.629 3 163.000 982.086 97 164.000 199.654 18 165.000 155.062 14 167.000 2889.818 287 168.000 545.442 53 169.000 906.210 89 170.000 223.447 21 171.000 2318.246 230 172.000 445.647 43 173.000 1323.539 131 174.000 678.504 66 175.000 139.472 12 179.000 139.016 12 180.000 15.910 0 182.000 3142.635 313 183.000 4881.581 487 184.000 1462.769 145 185.000 2734.616 272 186.000 437.626 42 187.000 2966.061 295 189.000 126.474 11 190.000 154.545 14 191.000 591.382 58 192.000 40.852 3 194.000 17.841 0 195.000 893.064 88 196.000 331.277 32 197.000 563.188 55 198.000 482.156 47 199.000 380.792 37 200.000 220.171 21 201.000 972.093 96 203.000 71.347 6 204.000 11.579 0 205.000 138.212 12 210.000 2317.614 230 211.000 4731.848 472 212.000 111.400 10 213.000 1583.634 157 214.000 673.811 66 215.000 138.108 12 216.000 87.730 7 217.000 51.586 4 219.000 28.138 1 222.000 66.776 5 223.000 333.957 32 224.000 37.779 2 225.000 75.556 6 226.000 225.273 21 227.000 6236.435 622 228.000 67.919 5 229.000 451.190 44 237.000 44.059 3 238.000 672.860 66 239.000 3270.978 326 240.000 511.310 50 241.000 59.530 4 242.000 94.127 8 243.000 250.246 24 253.000 28.877 1 255.000 2877.619 286 256.000 168.221 15 257.000 69.067 5 265.000 32.135 2 266.000 168.181 15 267.000 1454.835 144 268.000 410.190 40 269.000 137.776 12 283.000 13.529 0 284.000 86.863 7 285.000 704.769 69 //