ACCESSION: MSBNK-IPB_Halle-PB004122
RECORD_TITLE: Kaempferol; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0f79-0970000000-ca953d330ffd7b6b0f26
PK$NUM_PEAK: 115
PK$PEAK: m/z int. rel.int.
  65.000 33.004 2
  67.000 36.858 2
  69.000 478.766 46
  71.000 17.188 0
  77.000 161.628 15
  79.000 98.534 8
  81.000 57.769 4
  83.000 13.524 0
  89.000 11.892 0
  91.000 46.708 3
  93.000 351.240 34
  94.000 37.951 2
  95.000 35.096 2
  97.000 22.992 1
  99.000 13.442 0
  103.000 81.787 7
  105.000 312.200 30
  107.000 306.925 29
  109.000 374.641 36
  110.000 15.207 0
  111.000 546.921 53
  115.000 129.384 11
  117.000 21.013 1
  119.000 94.030 8
  121.000 2479.026 246
  123.000 30.480 2
  124.000 15.127 0
  125.000 26.215 1
  126.000 16.901 0
  127.000 150.357 14
  128.000 157.339 14
  129.000 171.043 16
  131.000 85.365 7
  132.000 15.781 0
  133.000 547.275 53
  134.000 25.851 1
  135.000 132.448 12
  136.000 86.093 7
  137.000 1151.646 114
  138.000 10.248 0
  139.000 90.120 8
  141.000 213.681 20
  143.000 47.009 3
  145.000 335.790 32
  147.000 702.441 69
  149.000 44.635 3
  151.000 31.274 2
  152.000 18.090 0
  153.000 5942.044 593
  155.000 35.295 2
  157.000 938.102 92
  159.000 14.742 0
  160.000 38.378 2
  161.000 340.055 33
  163.000 55.492 4
  165.000 3127.685 311
  166.000 24.487 1
  167.000 51.176 4
  168.000 30.862 2
  169.000 102.681 9
  171.000 395.453 38
  173.000 71.471 6
  174.000 17.526 0
  175.000 280.666 27
  179.000 79.476 6
  181.000 11.547 0
  183.000 68.714 5
  184.000 84.158 7
  185.000 854.659 84
  187.000 17.179 0
  188.000 53.605 4
  189.000 229.084 21
  190.000 16.372 0
  191.000 20.071 1
  193.000 64.851 5
  194.000 52.710 4
  195.000 85.175 7
  197.000 229.816 21
  199.000 122.491 11
  200.000 20.279 1
  201.000 72.491 6
  202.000 27.235 1
  203.000 239.702 22
  207.000 14.468 0
  212.000 114.662 10
  213.000 2407.431 239
  216.000 111.209 10
  217.000 114.619 10
  218.000 50.194 4
  219.000 20.446 1
  223.000 56.011 4
  225.000 25.402 1
  227.000 25.422 1
  229.000 357.116 34
  230.000 11.216 0
  231.000 666.640 65
  232.000 31.036 2
  240.000 25.218 1
  241.000 1013.688 100
  242.000 67.198 5
  243.000 121.867 11
  244.000 18.452 0
  245.000 92.557 8
  251.000 12.223 0
  252.000 18.179 0
  257.000 34.786 2
  258.000 1786.565 177
  259.000 478.882 46
  263.000 12.175 0
  268.000 11.374 0
  269.000 161.340 15
  270.000 27.945 1
  285.000 30.781 2
  286.000 14.554 0
  287.000 10000.000 999
//