MassBank Record: PB004121



 Kaempferol; LC-ESI-QQ; MS2; CE:25 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB004121
RECORD_TITLE: Kaempferol; LC-ESI-QQ; MS2; CE:25 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 25 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-0290000000-8aaa90bfd2ced6cf418a PK$NUM_PEAK: 54 PK$PEAK: m/z int. rel.int. 69.000 23.530 1 79.000 11.429 0 81.000 12.267 0 93.000 32.077 2 103.000 16.866 0 105.000 47.029 3 107.000 50.339 4 109.000 37.247 2 111.000 126.118 11 121.000 440.508 43 127.000 15.506 0 129.000 17.740 0 133.000 119.348 10 135.000 28.254 1 136.000 12.293 0 137.000 199.736 18 141.000 29.680 1 145.000 78.334 6 147.000 139.772 12 149.000 10.038 0 153.000 911.331 90 157.000 119.788 10 161.000 46.693 3 165.000 831.319 82 167.000 11.819 0 169.000 19.058 0 171.000 84.736 7 173.000 19.609 0 175.000 39.434 2 177.000 13.953 0 183.000 16.047 0 185.000 144.290 13 189.000 45.145 3 197.000 64.305 5 199.000 23.689 1 201.000 20.055 1 203.000 64.175 5 205.000 13.083 0 213.000 543.354 53 215.000 10.300 0 216.000 10.093 0 217.000 29.783 1 223.000 13.382 0 228.000 10.934 0 229.000 30.609 2 231.000 243.677 23 241.000 331.797 32 243.000 57.858 4 245.000 27.093 1 258.000 451.855 44 259.000 130.986 12 269.000 50.194 4 286.000 15.107 0 287.000 10000.000 999 //