MassBank Record: PB004141



 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: PB004141
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: 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 30 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000i-0890000000-52e326989e3c5afe200b PK$NUM_PEAK: 116 PK$PEAK: m/z int. rel.int. 65.000 51.403 4 67.000 22.449 1 79.000 19.451 0 83.000 114.053 10 91.000 22.328 1 92.000 56.258 4 93.000 698.028 68 95.000 55.651 4 105.000 104.616 9 107.000 312.199 30 108.000 180.852 17 109.000 367.003 35 115.000 55.793 4 116.000 21.731 1 117.000 365.105 35 119.000 182.640 17 120.000 128.629 11 121.000 72.780 6 123.000 114.812 10 124.000 15.482 0 127.000 10.539 0 129.000 57.497 4 130.000 162.389 15 131.000 257.538 24 132.000 37.503 2 133.000 246.625 23 134.000 18.478 0 135.000 303.214 29 136.000 142.602 13 137.000 356.142 34 139.000 22.452 1 141.000 127.888 11 142.000 17.827 0 143.000 688.723 67 145.000 734.793 72 146.000 51.392 4 147.000 96.200 8 148.000 34.087 2 149.000 30.507 2 151.000 277.796 26 152.000 37.211 2 153.000 52.529 4 154.000 734.080 72 155.000 490.786 48 156.000 194.570 18 157.000 788.436 77 158.000 190.403 18 159.000 1183.809 117 160.000 11.308 0 161.000 627.715 61 162.000 21.269 1 163.000 449.018 43 164.000 318.847 30 165.000 104.380 9 167.000 613.558 60 168.000 269.175 25 169.000 744.656 73 170.000 67.814 5 171.000 1131.871 112 172.000 40.739 3 173.000 615.223 60 174.000 100.014 9 175.000 65.919 5 179.000 51.369 4 181.000 22.255 1 182.000 129.720 11 183.000 525.185 51 184.000 364.783 35 185.000 1645.960 163 186.000 70.213 6 187.000 1386.389 137 189.000 192.038 18 190.000 18.796 0 191.000 88.294 7 192.000 72.638 6 193.000 10.167 0 194.000 15.945 0 195.000 373.296 36 196.000 125.964 11 197.000 101.318 9 198.000 224.081 21 199.000 128.597 11 200.000 59.966 4 201.000 511.455 50 202.000 21.840 1 210.000 168.930 15 211.000 1253.933 124 212.000 150.639 14 213.000 638.903 62 214.000 850.671 84 215.000 386.331 37 217.000 45.720 3 219.000 207.516 19 222.000 13.182 0 223.000 52.088 4 224.000 13.680 0 226.000 25.986 1 227.000 947.705 93 228.000 37.685 2 229.000 1141.654 113 238.000 23.746 1 239.000 1883.946 187 240.000 298.397 28 241.000 164.996 15 242.000 34.070 2 243.000 563.226 55 255.000 957.244 94 256.000 132.371 12 257.000 226.499 21 266.000 47.040 3 267.000 268.175 25 268.000 223.930 21 270.000 13.500 0 283.000 21.133 1 284.000 153.199 14 285.000 10000.000 999 //