ACCESSION: MSBNK-RIKEN_ReSpect-PT104100
RECORD_TITLE: beta-Rhamnocitrin, Quercetin 7-methyl ether, 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxychromen-4-one, Ramn, 7-Methoxyquercetin, 7-methylquercetin, Rhamnetin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-, 3,3',4',5-tetrahydroxy-7-methoxyflavone; LC-ESI-QTOF; MS2
DATE: 2008.07.25
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: beta-Rhamnocitrin
CH$NAME: Quercetin 7-methyl ether
CH$NAME: 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxychromen-4-one
CH$NAME: Ramn
CH$NAME: 7-Methoxyquercetin
CH$NAME: 7-methylquercetin
CH$NAME: Rhamnetin
CH$NAME: 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-
CH$NAME: 3,3',4',5-tetrahydroxy-7-methoxyflavone
CH$COMPOUND_CLASS: CLASS1 Flavonoid CLASS2 Flavonol CLASS3 Rhamnetin
CH$FORMULA: C₁₆H₁₂O₇
CH$EXACT_MASS: 316.265
CH$SMILES: COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O
CH$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: INCHIKEY JGUZGNYPMHHYRK-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

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

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
//