MassBank Record: TY000125



 Baicalein trimethyl ether; LC-ESI-ITTOF; MS; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: TY000125
RECORD_TITLE: Baicalein trimethyl ether; 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$NAME: Baicalein trimethyl ether CH$NAME: 5,6,7-Trimethoxy-2-phenyl-4H-1-benzopyran-4-one CH$NAME: 5,6,7-Trimethoxy-flavone CH$NAME: 5,6,7-Trimethoxyflavone CH$NAME: 5,6,7-Trimethylbaicalein CH$COMPOUND_CLASS: Natural Product; Flavonoid CH$FORMULA: C18H16O5 CH$EXACT_MASS: 312.09977 CH$SMILES: COc(c1)c(OC)c(OC)c(C(=O)2)c1OC(c(c3)cccc3)=C2 CH$IUPAC: InChI=1S/C18H16O5/c1-20-15-10-14-16(18(22-3)17(15)21-2)12(19)9-13(23-14)11-7-5-4-6-8-11/h4-10H,1-3H3 CH$LINK: CAS 973-67-1
AC$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$CHROMATOGRAPHY: RETENTION_TIME 20.676667 min AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN
MS$FOCUSED_ION: BASE_PEAK 313.100800
PK$SPLASH: splash10-03di-0019000000-2a0b0ceac6b46f3e2a44 PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 252.079200 5698387.000000 53 255.063100 1462342.000000 14 269.078300 2531930.000000 24 279.068600 893087.000000 8 280.064800 1283838.000000 12 281.078900 779693.000000 7 283.064000 5119822.000000 48 284.067300 665963.000000 6 297.072700 1940067.000000 18 298.083900 2442439.000000 23 313.100800 107298922.000000 999 313.270900 1647017.000000 15 313.424000 2323602.000000 22 313.645200 1619391.000000 15 313.866500 492477.000000 5 314.104900 22104285.000000 206 314.275200 464195.000000 4 315.110500 2769747.000000 26 335.085700 822551.000000 8 351.068300 1000842.000000 9 644.679700 356440.000000 3 647.195300 4073392.000000 38 648.198000 1761865.000000 16 663.158700 1130815.000000 11 664.173700 513985.000000 5 //