ACCESSION: MSBNK-IPB_Halle-PB005706
RECORD_TITLE: Kaempferol; LC-ESI-QTOF; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0f79-0690000000-4ea7ac373b7544205bba
PK$NUM_PEAK: 219
PK$PEAK: m/z int. rel.int.
  107.053 50.050 4
  115.055 70.070 6
  115.075 10.010 0
  117.028 30.030 2
  117.069 40.040 3
  117.085 10.010 0
  118.037 10.010 0
  119.046 110.110 10
  121.027 1271.271 126
  121.071 10.010 0
  122.031 80.080 7
  123.036 20.020 1
  124.014 30.030 2
  125.016 10.010 0
  127.049 180.180 17
  128.060 360.360 35
  129.036 30.030 2
  129.066 340.340 33
  130.039 20.020 1
  130.081 10.010 0
  131.048 90.090 8
  132.076 20.020 1
  133.027 250.250 24
  134.031 70.070 6
  135.043 100.100 9
  135.065 20.020 1
  135.084 10.010 0
  136.011 40.040 3
  136.040 20.020 1
  137.022 840.841 83
  137.039 20.020 1
  138.025 160.160 15
  139.052 250.250 24
  140.057 10.010 0
  141.069 180.180 17
  142.036 20.020 1
  142.073 50.050 4
  143.045 20.020 1
  143.567 10.010 0
  144.049 60.060 5
  145.024 40.040 3
  145.063 550.551 54
  145.171 20.020 1
  145.631 10.010 0
  146.034 30.030 2
  146.063 10.010 0
  146.623 10.010 0
  147.042 970.971 96
  148.045 70.070 6
  149.021 60.060 5
  153.017 9009.009 899
  153.109 10.010 0
  154.019 460.460 45
  154.064 10.010 0
  155.027 10.010 0
  155.045 70.070 6
  155.083 10.010 0
  156.052 50.050 4
  156.071 10.010 0
  157.063 1951.952 194
  157.550 10.010 0
  158.065 190.190 18
  159.074 10.010 0
  160.050 60.060 5
  161.057 590.591 58
  162.018 10.010 0
  162.057 10.010 0
  162.398 10.010 0
  163.034 60.060 5
  165.017 1861.862 185
  165.117 10.010 0
  166.019 160.160 15
  167.022 20.020 1
  167.047 50.050 4
  168.052 100.100 9
  169.068 40.040 3
  170.067 30.030 2
  171.041 610.611 60
  171.263 10.010 0
  172.041 40.040 3
  173.016 10.010 0
  173.061 40.040 3
  174.023 20.020 1
  175.038 80.080 7
  175.077 60.060 5
  175.146 10.010 0
  176.032 20.020 1
  177.012 10.010 0
  177.049 30.030 2
  179.025 40.040 3
  179.045 10.010 0
  181.008 70.070 6
  181.091 10.010 0
  183.030 540.540 53
  183.184 10.010 0
  184.009 10.010 0
  184.045 200.200 19
  184.997 10.010 0
  185.056 920.921 91
  186.055 180.180 17
  187.064 30.030 2
  188.038 10.010 0
  189.049 110.110 10
  191.027 20.020 1
  193.015 50.050 4
  194.869 10.010 0
  195.037 80.080 7
  195.356 20.020 1
  196.052 10.010 0
  197.053 120.120 11
  198.063 20.020 1
  198.925 30.030 2
  199.037 40.040 3
  199.096 10.010 0
  200.046 10.010 0
  201.051 70.070 6
  201.094 10.010 0
  202.058 110.110 10
  203.028 30.030 2
  203.067 310.310 30
  204.038 40.040 3
  205.038 10.010 0
  207.025 40.040 3
  208.038 10.010 0
  210.877 10.010 0
  212.042 310.310 30
  213.051 4854.855 484
  213.197 10.010 0
  214.057 630.631 62
  215.028 30.030 2
  215.062 40.040 3
  216.038 670.671 66
  217.043 190.190 18
  217.079 10.010 0
  218.022 60.060 5
  218.052 50.050 4
  219.037 20.020 1
  219.060 70.070 6
  219.121 10.010 0
  220.021 20.020 1
  221.050 10.010 0
  223.029 60.060 5
  224.043 90.090 8
  225.054 60.060 5
  226.011 10.010 0
  227.464 10.010 0
  229.047 1681.682 167
  230.052 330.330 32
  230.997 20.020 1
  231.061 1421.421 141
  231.158 10.010 0
  232.029 50.050 4
  232.063 40.040 3
  232.087 20.020 1
  234.945 110.110 10
  235.055 50.050 4
  236.945 40.040 3
  240.040 140.140 13
  241.045 1711.712 170
  241.117 10.010 0
  241.989 10.010 0
  242.052 410.410 40
  242.146 30.030 2
  243.063 190.190 18
  244.036 80.080 7
  244.920 10.010 0
  245.041 220.220 21
  245.120 10.010 0
  251.032 20.020 1
  252.035 60.060 5
  253.044 10.010 0
  253.931 30.030 2
  256.050 10.010 0
  257.040 360.360 35
  257.135 20.020 1
  258.048 3693.694 368
  258.172 30.030 2
  258.202 20.020 1
  258.880 10.010 0
  259.055 1331.331 132
  259.155 20.020 1
  260.059 120.120 11
  261.871 20.020 1
  263.048 50.050 4
  263.897 10.010 0
  263.928 20.020 1
  264.057 10.010 0
  269.040 640.641 63
  269.117 20.020 1
  269.144 10.010 0
  270.014 10.010 0
  270.046 110.110 10
  271.043 10.010 0
  272.037 30.030 2
  272.065 10.010 0
  285.034 260.260 25
  286.042 250.250 24
  286.115 10.010 0
  287.050 10000.000 999
  287.142 80.080 7
  287.177 20.020 1
  287.988 10.010 0
  288.053 1461.461 145
  289.075 20.020 1
  302.014 10.010 0
  307.009 10.010 0
  323.055 10.010 0
  340.086 10.010 0
  352.036 10.010 0
  358.695 10.010 0
  361.007 10.010 0
  364.186 10.010 0
  385.913 10.010 0
  488.372 10.010 0
  503.868 10.010 0
  511.638 10.010 0
  515.157 10.010 0
  534.485 10.010 0
  620.324 10.010 0
//