ACCESSION: MSBNK-IPB_Halle-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$LINK: PUBCHEM CID:5280863
CH$LINK: COMPTOX DTXSID7020768

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
//