ACCESSION: MSBNK-IPB_Halle-PB004141
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: 3341
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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-000i-0890000000-52e326989e3c5afe200b
PK$NUM_PEAK: 116
PK$PEAK: m/z int. rel.int.
  65.000 51.403 4
  67.000 22.449 1
  79.000 19.451 0
  83.000 114.053 10
  91.000 22.328 1
  92.000 56.258 4
  93.000 698.028 68
  95.000 55.651 4
  105.000 104.616 9
  107.000 312.199 30
  108.000 180.852 17
  109.000 367.003 35
  115.000 55.793 4
  116.000 21.731 1
  117.000 365.105 35
  119.000 182.640 17
  120.000 128.629 11
  121.000 72.780 6
  123.000 114.812 10
  124.000 15.482 0
  127.000 10.539 0
  129.000 57.497 4
  130.000 162.389 15
  131.000 257.538 24
  132.000 37.503 2
  133.000 246.625 23
  134.000 18.478 0
  135.000 303.214 29
  136.000 142.602 13
  137.000 356.142 34
  139.000 22.452 1
  141.000 127.888 11
  142.000 17.827 0
  143.000 688.723 67
  145.000 734.793 72
  146.000 51.392 4
  147.000 96.200 8
  148.000 34.087 2
  149.000 30.507 2
  151.000 277.796 26
  152.000 37.211 2
  153.000 52.529 4
  154.000 734.080 72
  155.000 490.786 48
  156.000 194.570 18
  157.000 788.436 77
  158.000 190.403 18
  159.000 1183.809 117
  160.000 11.308 0
  161.000 627.715 61
  162.000 21.269 1
  163.000 449.018 43
  164.000 318.847 30
  165.000 104.380 9
  167.000 613.558 60
  168.000 269.175 25
  169.000 744.656 73
  170.000 67.814 5
  171.000 1131.871 112
  172.000 40.739 3
  173.000 615.223 60
  174.000 100.014 9
  175.000 65.919 5
  179.000 51.369 4
  181.000 22.255 1
  182.000 129.720 11
  183.000 525.185 51
  184.000 364.783 35
  185.000 1645.960 163
  186.000 70.213 6
  187.000 1386.389 137
  189.000 192.038 18
  190.000 18.796 0
  191.000 88.294 7
  192.000 72.638 6
  193.000 10.167 0
  194.000 15.945 0
  195.000 373.296 36
  196.000 125.964 11
  197.000 101.318 9
  198.000 224.081 21
  199.000 128.597 11
  200.000 59.966 4
  201.000 511.455 50
  202.000 21.840 1
  210.000 168.930 15
  211.000 1253.933 124
  212.000 150.639 14
  213.000 638.903 62
  214.000 850.671 84
  215.000 386.331 37
  217.000 45.720 3
  219.000 207.516 19
  222.000 13.182 0
  223.000 52.088 4
  224.000 13.680 0
  226.000 25.986 1
  227.000 947.705 93
  228.000 37.685 2
  229.000 1141.654 113
  238.000 23.746 1
  239.000 1883.946 187
  240.000 298.397 28
  241.000 164.996 15
  242.000 34.070 2
  243.000 563.226 55
  255.000 957.244 94
  256.000 132.371 12
  257.000 226.499 21
  266.000 47.040 3
  267.000 268.175 25
  268.000 223.930 21
  270.000 13.500 0
  283.000 21.133 1
  284.000 153.199 14
  285.000 10000.000 999
//