MassBank Record: TY000179



 7-Hydroxy-5,6-dimethoxyflavone; LC-ESI-ITTOF; MS; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: TY000179
RECORD_TITLE: 7-Hydroxy-5,6-dimethoxyflavone; LC-ESI-ITTOF; MS; [M+H]+
DATE: 2016.01.19 (Created 2010.10.14, modified 2012.10.22)
AUTHORS: Toshimitsu HAYASHI, Ken TANAKA
LICENSE: CC BY-SA

CH$NAME: Baicalein dimethyl ether CH$NAME: 7-Hydroxy-5,6-dimethoxy-2-phenyl-4H-1-benzopyran-4-one CH$NAME: 7-Hydroxy-5,6-dimethoxy-flavone CH$NAME: 7-Hydroxy-5,6-dimethoxyflavone CH$COMPOUND_CLASS: Natural Product; Flavonoid CH$FORMULA: C17H14O5 CH$EXACT_MASS: 298.08412 CH$SMILES: COc(c(O)3)c(OC)c(C(=O)2)c(c3)OC(=C2)c(c1)cccc1 CH$IUPAC: InChI=1S/C17H14O5/c1-20-16-12(19)9-14-15(17(16)21-2)11(18)8-13(22-14)10-6-4-3-5-7-10/h3-9,19H,1-2H3 CH$LINK: CAS 2035-05-4
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 23.843333 min AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN
MS$FOCUSED_ION: BASE_PEAK 299.096800
PK$SPLASH: splash10-0002-0092000000-f0dae74279be10f41ba3 PK$NUM_PEAK: 17 PK$PEAK: m/z int. rel.int. 238.060000 126837.000000 21 240.065900 31160.000000 5 255.063100 31160.000000 5 266.060300 199176.000000 32 267.064400 39458.000000 6 269.031000 31160.000000 5 283.064000 39458.000000 6 284.067300 198622.000000 32 299.096800 6176517.000000 999 299.246400 94904.000000 15 299.396000 134205.000000 22 299.612200 79738.000000 13 299.828500 25645.000000 4 300.094800 1288725.000000 208 301.094500 178147.000000 29 321.074800 111350.000000 18 329.096700 47918.000000 8 //