ACCESSION: MSBNK-RIKEN-PR100234
RECORD_TITLE: Rhamnetin; 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$NAME: Rhamnetin
CH$NAME: Ramn
CH$NAME: 3,3',4',5-tetrahydroxy-7-methoxyflavone
CH$NAME: beta-Rhamnocitrin
CH$NAME: 7-Methoxyquercetin
CH$NAME: 7-methylquercetin
CH$NAME: Quercetin 7-methyl ether
CH$NAME: 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-
CH$COMPOUND_CLASS: Flavonoid
CH$FORMULA: C₁₆H₁₂O₇
CH$EXACT_MASS: 316.05830
CH$SMILES: COc(c3)cc(O1)c(c(O)3)C(=O)C(O)=C1c(c2)cc(O)c(O)c2
CH$IUPAC: InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3
CH$LINK: CAS 90-19-7
CH$LINK: CHEMSPIDER 4445008
CH$LINK: KEGG C10176
CH$LINK: KNAPSACK C00004634
CH$LINK: PUBCHEM CID:5281691
CH$LINK: INCHIKEY JGUZGNYPMHHYRK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40237979

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$FOCUSED_ION: PRECURSOR_M/Z 317.0661
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-014i-0369000000-67ea886f4fc5ab686b9a
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  123.0441 11.84 134
  137.0237 9.361 106
  167.0326 9.742 110
  179.0326 5.526 62
  200.0447 4.871 55
  207.0297 7.569 86
  208.0346 7.593 86
  209.0301 13.57 153
  224.0638 4.6 52
  225.0621 6.165 70
  243.0635 6.003 68
  274.0461 9.182 104
  283.0449 4.662 53
  302.0388 5.713 65
  317.0661 88.39 999
//