ACCESSION: MSBNK-IPB_Halle-PB005704
RECORD_TITLE: Kaempferol; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
DATE: 2016.01.19 (Created 2009.02.18, modified 2013.06.04)
AUTHORS: Heinz T, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 2141
COMMENT: CONFIDENCE confident structure

CH$NAME: Kaempferol
CH$NAME: 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CH$COMPOUND_CLASS: Natural Product
CH$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$INSTRUMENT: micrOTOF-Q
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-000i-0090000000-bae5a8f4a371f8f2ad02
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  121.027 40.040 3
  133.027 10.010 0
  137.022 30.030 2
  147.043 20.020 1
  153.016 190.190 18
  154.018 10.010 0
  157.063 10.010 0
  165.017 110.110 10
  171.039 10.010 0
  183.027 50.050 4
  185.058 20.020 1
  197.057 10.010 0
  203.067 10.010 0
  213.053 200.200 19
  214.056 30.030 2
  229.049 20.020 1
  231.062 160.160 15
  232.069 10.010 0
  241.045 190.190 18
  242.052 20.020 1
  243.061 10.010 0
  245.042 20.020 1
  258.048 270.270 26
  259.055 150.150 14
  260.059 10.010 0
  263.051 10.010 0
  269.041 50.050 4
  270.048 10.010 0
  286.036 10.010 0
  286.806 10.010 0
  286.911 10.010 0
  287.051 10000.000 999
  287.233 10.010 0
  287.424 10.010 0
  288.053 1211.211 120
  289.056 60.060 5
//