ACCESSION: MSBNK-IPB_Halle-PB005705
RECORD_TITLE: Kaempferol; LC-ESI-QTOF; MS2; CE:25 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$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-000i-0290000000-9d940e3fc827408f9272
PK$NUM_PEAK: 77
PK$PEAK: m/z int. rel.int.
  121.026 210.210 20
  129.071 20.020 1
  133.026 60.060 5
  135.041 50.050 4
  137.021 200.200 19
  138.025 10.010 0
  139.051 20.020 1
  141.066 10.010 0
  145.062 90.090 8
  147.042 210.210 20
  148.049 10.010 0
  149.023 10.010 0
  153.016 1421.421 141
  154.023 70.070 6
  157.062 220.220 21
  158.068 10.010 0
  161.058 60.060 5
  165.017 510.510 50
  166.021 60.060 5
  167.047 10.010 0
  168.053 10.010 0
  169.067 10.010 0
  171.042 70.070 6
  175.040 10.010 0
  175.074 10.010 0
  183.026 210.210 20
  184.037 10.010 0
  185.056 250.250 24
  186.062 10.010 0
  188.045 10.010 0
  189.050 40.040 3
  191.029 10.010 0
  194.015 20.020 1
  195.039 10.010 0
  197.055 50.050 4
  199.036 20.020 1
  201.053 20.020 1
  203.038 10.010 0
  203.070 70.070 6
  212.045 40.040 3
  213.051 1101.101 109
  213.127 10.010 0
  214.055 90.090 8
  215.063 10.010 0
  216.039 70.070 6
  217.047 50.050 4
  218.056 10.010 0
  219.063 20.020 1
  223.038 30.030 2
  224.043 10.010 0
  229.044 210.210 20
  230.052 50.050 4
  231.061 570.571 56
  232.061 30.030 2
  234.947 20.020 1
  240.036 20.020 1
  241.045 660.661 65
  242.050 110.110 10
  243.062 90.090 8
  244.069 10.010 0
  245.040 30.030 2
  246.046 10.010 0
  257.040 40.040 3
  258.048 1121.121 111
  258.154 10.010 0
  259.055 530.530 52
  260.057 50.050 4
  263.051 20.020 1
  269.039 220.220 21
  270.043 20.020 1
  285.032 20.020 1
  286.039 20.020 1
  287.050 10000.000 999
  287.214 10.010 0
  287.590 10.010 0
  288.053 1231.231 122
  289.057 40.040 3
//