MassBank Record: TY000124

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3',4',5,7-Tetramethylquercetin; LC-ESI-ITTOF; MS; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: TY000124
RECORD_TITLE: 3',4',5,7-Tetramethylquercetin; LC-ESI-ITTOF; MS; [M+H]+
DATE: 2016.01.19 (Created 2010.07.12, modified 2011.05.06)
AUTHORS: Toshimitsu HAYASHI, Ken TANAKA
LICENSE: CC BY-SA

CH$NAME: 3',4',5,7-Tetramethylquercetin
CH$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$NAME: Averionol
CH$NAME: Quercetin 3',4',5,7-tetramethyl ether
CH$NAME: Quercetin 5,7,3',4'-tetramethyl ether
CH$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 20.351667 min
AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN

MS$FOCUSED_ION: BASE_PEAK 359.108200

PK$SPLASH: splash10-0a4i-0009000000-abd9af8202b05c74954b
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  283.047900 306561.000000 3
  299.047000 458627.000000 4
  301.061100 690273.000000 7
  315.076400 670485.000000 6
  329.061800 1878113.000000 18
  343.083900 3255858.000000 31
  344.099200 2910766.000000 28
  359.108200 103958040.000000 999
  359.290400 1541869.000000 15
  359.490800 1976311.000000 19
  359.691200 1368099.000000 13
  359.946400 433165.000000 4
  360.110500 24628396.000000 237
  360.493600 519269.000000 5
  360.694300 355394.000000 3
  361.114200 3522382.000000 34
  381.086800 409795.000000 4
  715.194000 1504437.000000 14
  716.196600 560815.000000 5
  739.189700 2014770.000000 19
  740.209000 812461.000000 8
//