MassBank Record: MSBNK-RIKEN_ReSpect-PT104100
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
//