ACCESSION: MSBNK-RIKEN-PR100966
RECORD_TITLE: Kaempferol-3-O-alpha-L-arabinoside; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
DATE: 2016.01.19 (Created 2010.06.21, 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$NAME: Kaempferol-3-O-alpha-L-arabinoside
CH$NAME: Kaem-3-Ara
CH$NAME: Kaempferol-3-O-alpha-L-arabinopyranoside
CH$COMPOUND_CLASS: Flavonoid
CH$FORMULA: C₂₀H₁₈O₁₀
CH$EXACT_MASS: 418.09000
CH$SMILES: Oc(c4)ccc(c4)C(O1)=C(OC(O3)C(O)C(O)C(O)C3)C(=O)c(c(O)2)c(cc(O)c2)1
CH$IUPAC: InChI=1S/C20H18O10/c21-9-3-1-8(2-4-9)18-19(30-20-17(27)15(25)12(24)7-28-20)16(26)14-11(23)5-10(22)6-13(14)29-18/h1-6,12,15,17,20-25,27H,7H2/t12-,15+,17-,20+/m1/s1
CH$LINK: CAS 99882-10-7
CH$LINK: CHEMSPIDER 4587618
CH$LINK: KNAPSACK C00005133
CH$LINK: PUBCHEM CID:5481882
CH$LINK: INCHIKEY RNVUDWOQYYWXBJ-BWYUNELBSA-N

AC$INSTRUMENT: UPLC Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
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$FOCUSED_ION: PRECURSOR_M/Z 417.08217
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0arr-0090300000-36366651c35650d54e27
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  183.0454 207.4 98
  227.0349 1901 901
  255.0304 1910 905
  256.0367 267.4 127
  284.0327 1875 889
  285.0406 561.3 266
  417.0822 2108 999
  418.0907 192.4 91
//