MassBank Record: TY000159



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

ACCESSION: TY000159
RECORD_TITLE: Ponkanetin; 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$NAME: Ponkanetin CH$NAME: 5,6,7,8-Tetramethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one CH$NAME: 4',5,6,7,8-Pentamethoxy-flavone CH$NAME: Tangeretin CH$NAME: 4',5,6,7,8-Pentamethoxyflavone CH$NAME: 5,6,7,8,4'-Pentamethoxyflavone CH$NAME: Tangeritin CH$COMPOUND_CLASS: Natural Product; Flavonoid CH$FORMULA: C20H20O7 CH$EXACT_MASS: 372.12090 CH$SMILES: COc(c3)ccc(c3)C(=C2)Oc(c(OC)1)c(C(=O)2)c(OC)c(OC)c(OC)1 CH$IUPAC: InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3 CH$LINK: CAS 481-53-8
AC$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$CHROMATOGRAPHY: RETENTION_TIME 21.951667 min AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN
MS$FOCUSED_ION: BASE_PEAK 373.135600
PK$SPLASH: splash10-00di-0009000000-c26bfa5c4632ef548967 PK$NUM_PEAK: 17 PK$PEAK: m/z int. rel.int. 312.096900 566737.000000 4 325.063200 871738.000000 7 328.067400 768505.000000 6 329.077700 451801.000000 4 343.082300 14090293.000000 111 344.079800 2643817.000000 21 358.105800 3983918.000000 31 359.106700 536469.000000 4 373.135600 126607023.000000 999 373.302700 2111567.000000 17 373.506900 2590462.000000 20 373.711300 1757999.000000 14 373.952800 571826.000000 5 374.138600 26483335.000000 209 375.124400 4713680.000000 37 376.130200 635092.000000 5 767.248000 929135.000000 7 //