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MassBank Record: TY000225

Kaempferol; LC-ESI-ITTOF; MS; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: TY000225
RECORD_TITLE: Kaempferol; LC-ESI-ITTOF; MS; [M-H]-
DATE: 2016.01.19 (Created 2010.10.15, modified 2011.05.06)
AUTHORS: Toshimitsu HAYASHI, Ken TANAKA
LICENSE: CC BY-SA

CH$NAME: Kaempferol
CH$NAME: 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CH$NAME: 3,4',5,7-Tetrahydroxy-flavone
CH$NAME: 3,4',5,7-Tetrahydroxyflavone
CH$NAME: 3,5,7,4'-Tetrahydroxyflavone
CH$NAME: 3'-Deoxyquercetin
CH$NAME: 5,7,4'-Trihydroxyflavonol
CH$NAME: Kaempherol
CH$NAME: Kampcetin
CH$NAME: Kempferol
CH$NAME: Nimbecetin
CH$NAME: Pelargidenolon
CH$NAME: Pelargidenon
CH$NAME: Populnetin
CH$NAME: Rhamnolutein
CH$NAME: Rhamnolutin
CH$NAME: Robigenin
CH$NAME: Swartziol
CH$NAME: Trifolitin
CH$COMPOUND_CLASS: Natural Product; Flavonoid
CH$FORMULA: C15H10O6
CH$EXACT_MASS: 286.04774
CH$SMILES: Oc(c3)ccc(c3)C(O1)=C(O)C(=O)c(c(O)2)c(cc(O)c2)1
CH$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$LINK: CAS 520-18-3
CH$LINK: INCHIKEY IYRMWMYZSQPJKC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7020768

AC$INSTRUMENT: LCMS-IT-TOF
AC$INSTRUMENT_TYPE: LC-ESI-ITTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: CDL_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: INTERFACE_VOLTAGE -3.50 kV
AC$MASS_SPECTROMETRY: SCANNING 0.1 sec/scan (m/z = 200-2000)
AC$CHROMATOGRAPHY: COLUMN_NAME Waters Atlantis T3 (2.1 x 150 mm, 5 um)
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 C
AC$CHROMATOGRAPHY: FLOW_GRADIENT 10 % B to 100 % B/40 min
AC$CHROMATOGRAPHY: FLOW_RATE 0.2 ml/min
AC$CHROMATOGRAPHY: RETENTION_TIME 16.655783 min
AC$CHROMATOGRAPHY: SOLVENT A 5 mM ammonium acetate
AC$CHROMATOGRAPHY: SOLVENT B CH3CN

MS$FOCUSED_ION: BASE_PEAK 285.032900

PK$SPLASH: splash10-0079-0090040000-592bc6a98675bf7317c8
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  283.024700 546622.000000 35
  284.935600 231050.000000 15
  285.032900 15613820.000000 999
  285.195200 266298.000000 17
  285.341200 328912.000000 21
  285.552300 187779.000000 12
  286.039700 2528159.000000 162
  286.364800 88100.000000 6
  287.048200 268746.000000 17
  288.042200 88100.000000 6
  301.020500 133913.000000 9
  348.024100 112020.000000 7
  399.031400 608948.000000 39
  400.030200 298732.000000 19
  484.784600 88100.000000 6
  571.087300 7284195.000000 466
  571.294000 112020.000000 7
  571.569600 109993.000000 7
  571.822400 106095.000000 7
  572.098200 2442888.000000 156
  573.086900 662814.000000 42
  574.099500 88100.000000 6
  587.089000 202304.000000 13
  588.090600 112020.000000 7
  593.064700 88100.000000 6
  607.046900 154121.000000 10
  762.689200 157373.000000 10
  766.063400 112020.000000 7
  837.807000 135480.000000 9
  873.107300 88100.000000 6
  874.129800 112020.000000 7
  881.503900 135480.000000 9
  884.359400 112020.000000 7
  910.498100 177581.000000 11
  977.869900 202304.000000 13
  1033.325400 135480.000000 9
  1040.783300 93379.000000 6
  1053.719900 69919.000000 4
  1058.716800 88100.000000 6
  1072.645100 152094.000000 10
  1075.889200 135480.000000 9
  1078.191400 157373.000000 10
  1099.117400 135480.000000 9
  1105.562300 135480.000000 9
  1160.940400 157373.000000 10
  1161.628000 197486.000000 13
  1185.693100 93379.000000 6
  1192.652100 112020.000000 7
  1201.462700 112020.000000 7
  1359.108100 135480.000000 9
  1393.151400 88100.000000 6
//

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