ACCESSION: MSBNK-IPB_Halle-PB000166
RECORD_TITLE: Kaempferol; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.01.03, modified 2013.06.04)
AUTHORS: Boettcher C, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 141
COMMENT: CONFIDENCE confident structure

CH$NAME: Kaempferol
CH$NAME: 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CH$COMPOUND_CLASS: Natural Product; Flavonol
CH$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$INSTRUMENT: API QSTAR Pulsar i
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0fe0-0940000000-44ac005000d078497e5d
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
  55.051 85.688 7
  67.018 73.557 6
  68.996 451.431 44
  69.070 228.033 21
  77.037 72.422 6
  79.054 155.702 14
  81.035 72.376 6
  93.032 169.514 15
  103.053 93.821 8
  105.037 470.695 46
  107.050 726.034 71
  109.028 476.602 46
  111.012 1125.852 111
  115.052 214.630 20
  117.068 160.382 15
  119.047 203.271 19
  121.028 5992.730 598
  122.032 151.522 14
  127.043 224.716 21
  128.060 175.738 16
  129.067 344.843 33
  131.049 105.043 9
  133.031 741.936 73
  135.047 354.748 34
  136.017 160.064 15
  137.023 1808.723 179
  139.053 121.945 11
  141.070 251.022 24
  143.051 113.448 10
  145.060 544.298 53
  147.045 1243.980 123
  153.018 10000.000 999
  154.021 240.073 23
  155.059 152.794 14
  157.065 1320.309 131
  161.059 429.986 41
  163.042 102.135 9
  165.020 3316.674 330
  166.027 176.420 16
  167.052 105.452 9
  169.068 143.707 13
  171.046 671.967 66
  173.059 120.763 11
  175.057 239.891 22
  183.034 574.284 56
  184.053 133.939 12
  185.063 981.372 97
  189.058 231.304 22
  197.062 211.404 20
  201.056 114.584 10
  203.059 347.933 33
  213.059 2688.323 267
  214.061 134.848 12
  216.045 183.598 17
  217.055 139.800 12
  229.049 594.275 58
  231.067 1167.197 115
  241.053 1430.259 142
  242.058 178.828 16
  243.066 207.769 19
  245.046 165.425 15
  258.058 1884.144 187
  259.067 711.495 70
  269.053 224.080 21
  287.055 8237.165 822
  288.057 423.489 41
//