MassBank Record: TY000211



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

ACCESSION: TY000211
RECORD_TITLE: Cirsiliol; LC-ESI-ITTOF; MS; [M-H]-
DATE: 2016.01.19 (Created 2010.10.15, modified 2011.05.06)
AUTHORS: Toshimitsu HAYASHI, Ken TANAKA
LICENSE: CC BY-SA

CH$NAME: Cirsiliol CH$NAME: 2-(3,4-Dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-4H-1-benzopyran-4-one CH$NAME: 3',4',5-Trihydroxy-6,7-dimethoxy-flavone CH$NAME: 5,3',4'-Trihydroxy-6,7-dimethoxyflavone CH$NAME: 6,7-Dimethoxy-5,3',4'-trihydroxyflavone CH$NAME: 6-Hydroxyluteolin-6,7-dimethyl ether CH$NAME: 6-Methoxyluteolin 7-methyl ether CH$COMPOUND_CLASS: Natural Product; Flavonoid CH$FORMULA: C17H14O7 CH$EXACT_MASS: 330.07395 CH$SMILES: COc(c1)c(OC)c(O)c(C(=O)3)c1OC(=C3)c(c2)cc(O)c(O)c2 CH$IUPAC: InChI=1S/C17H14O7/c1-22-14-7-13-15(16(21)17(14)23-2)11(20)6-12(24-13)8-3-4-9(18)10(19)5-8/h3-7,18-19,21H,1-2H3 CH$LINK: CAS 34334-69-5
AC$INSTRUMENT: LCMS-IT-TOF AC$INSTRUMENT_TYPE: LC-ESI-ITTOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: CDL_TEMPERATURE 200 C AC$MASS_SPECTROMETRY: INTERFACE_VOLTAGE -3.50 kV AC$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$CHROMATOGRAPHY: RETENTION_TIME 18.464117 min AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN
MS$FOCUSED_ION: BASE_PEAK 329.065600
PK$SPLASH: splash10-056r-0009105000-cde208d24f6729ce75b8 PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 285.028200 15018.000000 6 299.018000 149754.000000 58 300.015900 22528.000000 9 313.036900 30778.000000 12 314.040800 248112.000000 97 315.046300 30114.000000 12 329.065600 2562634.000000 999 329.239900 34105.000000 13 329.379400 53138.000000 21 329.606200 36892.000000 14 330.077400 471725.000000 184 331.073300 88566.000000 35 392.066200 163840.000000 64 393.075300 34105.000000 13 443.056800 509007.000000 198 444.068700 87042.000000 34 659.127900 1429340.000000 557 659.646100 38159.000000 15 659.917600 15018.000000 6 660.139800 599512.000000 234 661.152400 106982.000000 42 662.141100 22195.000000 9 681.117200 31300.000000 12 723.126000 18939.000000 7 750.329200 15018.000000 6 1113.159000 22528.000000 9 1205.040300 15018.000000 6 1339.771500 22937.000000 9 1555.596600 15018.000000 6 //