ACCESSION: MSBNK-Univ_Toyama-TY000163
RECORD_TITLE: 3',4',5,7-Tetramethylquercetin; LC-ESI-ITTOF; MS; [M+H]+
DATE: 2016.01.19 (Created 2010.10.14, modified 2011.05.06)
AUTHORS: Toshimitsu HAYASHI, Ken TANAKA
LICENSE: CC BY-SA
CH$NAME: Quercetin 5,7,3',4'-tetramethyl ether
CH$NAME: 2-(3,4-Dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy-4H-1-benzopyran-4-one
CH$NAME: 3-Hydroxy-3',4',5,7-tetramethoxy-flavone
CH$NAME: 3-Hydroxy-3',4',5,7-tetramethoxyflavone
CH$NAME: 3-Hydroxy-5,7,3',4'-tetramethoxyflavone
CH$NAME: 3',4',5,7-Tetra-O-methylquercetin
CH$NAME: 3',4',5,7-Tetramethylquercetin
CH$NAME: Averionol
CH$NAME: Quercetin 3',4',5,7-tetramethyl ether
CH$COMPOUND_CLASS: Natural Product; Flavonoid
CH$FORMULA: C19H18O7
CH$EXACT_MASS: 358.10525
CH$SMILES: COc(c3)cc(O1)c(c(OC)3)C(=O)C(O)=C1c(c2)cc(OC)c(OC)c2
CH$IUPAC: InChI=1S/C19H18O7/c1-22-11-8-14(25-4)16-15(9-11)26-19(18(21)17(16)20)10-5-6-12(23-2)13(7-10)24-3/h5-9,21H,1-4H3
CH$LINK: CAS
1244-78-6
CH$LINK: INCHIKEY
AAASNKNLMQBKFV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID40154319
AC$INSTRUMENT: LCMS-IT-TOF
AC$INSTRUMENT_TYPE: LC-ESI-ITTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: CDL_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: INTERFACE_VOLTAGE +4.50 kV
AC$MASS_SPECTROMETRY: SCANNING 0.1 sec/scan (m/z = 200-2000)
AC$CHROMATOGRAPHY: COLUMN_NAME Waters Atlantis T3 (2.1 x 150 mm, 5 um)
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 C
AC$CHROMATOGRAPHY: FLOW_GRADIENT 10 % B to 100 % B/40 min
AC$CHROMATOGRAPHY: FLOW_RATE 0.2 ml/min
AC$CHROMATOGRAPHY: RETENTION_TIME 20.218333 min
AC$CHROMATOGRAPHY: SOLVENT A 5 mM ammonium acetate
AC$CHROMATOGRAPHY: SOLVENT B CH3CN
MS$FOCUSED_ION: BASE_PEAK 359.114300
PK$SPLASH: splash10-0a4i-0009000000-0fa23a2166c9e35ab259
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
299.050500 35644.000000 5
301.064700 78712.000000 11
315.080600 52678.000000 8
328.056300 44515.000000 6
329.066600 147163.000000 21
330.061000 35644.000000 5
343.089300 250534.000000 36
344.086800 305267.000000 44
345.085800 44515.000000 6
359.114300 6932721.000000 999
359.278200 104732.000000 15
359.442200 108635.000000 16
359.697300 89496.000000 13
360.116600 1574097.000000 227
361.120300 227931.000000 33
381.093700 326511.000000 47
382.088700 52634.000000 8
397.072600 70594.000000 10
422.120100 44515.000000 6
739.214300 684080.000000 99
740.207500 289265.000000 42
741.201400 86991.000000 13
755.159100 35644.000000 5
1977.110100 35644.000000 5
//
