MassBank Record: TY000127



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

ACCESSION: TY000127
RECORD_TITLE: Cirsiliol; LC-ESI-ITTOF; MS; [M+H]+
DATE: 2016.01.19 (Created 2010.07.15, 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$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$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$CHROMATOGRAPHY: RETENTION_TIME 17.301667 min AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN
MS$FOCUSED_ION: BASE_PEAK 331.087000
PK$SPLASH: splash10-001i-0009000000-9da63ebe1f2428a9f8c6 PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 226.144000 627219.000000 8 249.188600 330570.000000 4 256.646300 944917.000000 13 270.040700 1415247.000000 19 275.181400 466110.000000 6 298.050700 1149947.000000 15 315.059300 833598.000000 11 316.049400 2100751.000000 28 331.087000 75242261.000000 999 331.244400 981054.000000 13 331.401800 2052113.000000 27 331.646800 1069375.000000 14 331.804300 524075.000000 7 332.084400 19900832.000000 264 332.417200 352007.000000 5 333.083400 3713015.000000 49 334.066200 819944.000000 11 337.005800 412756.000000 5 353.069800 7386240.000000 98 353.846600 319612.000000 4 354.063600 1449948.000000 19 355.058800 1525875.000000 20 369.027600 1653542.000000 22 370.025100 1240786.000000 16 394.083400 421888.000000 6 506.312700 412756.000000 5 570.318400 314133.000000 4 622.307600 421888.000000 6 680.594600 619134.000000 8 683.154200 2671691.000000 35 684.134100 1163388.000000 15 713.421900 314133.000000 4 838.491300 367487.000000 5 1027.701200 367487.000000 5 1408.146000 421888.000000 6 //