ACCESSION: MSBNK-Univ_Toyama-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
//
