ACCESSION: MSBNK-RIKEN-PR100228
RECORD_TITLE: Kaempferol; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
DATE: 2016.01.19 (Created 2009.09.10, modified 2011.05.06)
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-SA
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: Kaempferol
CH$NAME: Kaem
CH$NAME: 3,4',5,7-tetrahydroxyflavone
CH$NAME: nimbecetin
CH$NAME: pelargidenolon
CH$NAME: rhamnolutein
CH$NAME: Popuinetin
CH$NAME: Kampherol
CH$NAME: Kempferol
CH$NAME: Populnetin
CH$NAME: Robigenin
CH$NAME: Swartziol
CH$NAME: 5,7,4'-Trihydroxyflavonol
CH$NAME: Trifolitin
CH$NAME: Rhamnolutin
CH$NAME: Indigo yellow
CH$NAME: 4H-1-Benzopyran-4-one
CH$NAME: 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol
CH$COMPOUND_CLASS: Flavonoid
CH$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$LINK: CHEMSPIDER 4444395
CH$LINK: KEGG C05903
CH$LINK: KNAPSACK C00004565
CH$LINK: PUBCHEM CID:5280863
CH$LINK: INCHIKEY IYRMWMYZSQPJKC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7020768

AC$INSTRUMENT: UPLC Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-60 V
AC$MASS_SPECTROMETRY: DATAFORMAT Continuum
AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr
AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 400 C
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE LOW-ENERGY CID
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE 120 C
AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SAMPLING_CONE 23.0 V
AC$CHROMATOGRAPHY: SOLVENT A CH3CN(0.1%HCOOH)
AC$CHROMATOGRAPHY: SOLVENT B H2O(0.1%HCOOH)

MS$FOCUSED_ION: PRECURSOR_M/Z 287.05554
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-014s-2920000000-397e01f2d2cf07025409
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  69.0622 6.086 198
  91.0421 5.857 191
  99.4978 12.4 404
  100.4944 4.882 159
  105.0564 14.95 487
  111.1031 11.06 360
  119.0337 9.155 298
  147.0268 12.97 423
  167.0118 30.66 999
  287.0555 24.97 814
//