MassBank Record: TY000225



 Kaempferol; LC-ESI-ITTOF; MS; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: TY000225
RECORD_TITLE: Kaempferol; LC-ESI-ITTOF; MS; [M-H]-
DATE: 2016.01.19 (2010.10.15, 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, (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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