MassBank Record: TY000249



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

ACCESSION: TY000249
RECORD_TITLE: Salvigenin; LC-ESI-ITTOF; MS; [M+H]+
DATE: 2016.01.19 (Created 2010.10.26, modified 2011.05.06)
AUTHORS: Toshimitsu HAYASHI, Ken TANAKA
LICENSE: CC BY-SA

CH$NAME: Salvigenin CH$NAME: 5-Hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one CH$NAME: 5-Hydroxy-4',6,7-trimethoxy-flavone CH$NAME: 5-Hydroxy-4',6,7-trimethoxyflavone CH$NAME: 7-O-Methylpectolinarigenin CH$NAME: Psathyrotin CH$COMPOUND_CLASS: Natural Product; Flavonoid CH$FORMULA: C18H16O6 CH$EXACT_MASS: 328.09469 CH$SMILES: COc(c3)ccc(c3)C(=C2)Oc(c1)c(C(=O)2)c(O)c(OC)c(OC)1 CH$IUPAC: InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)13-8-12(19)16-14(24-13)9-15(22-2)18(23-3)17(16)20/h4-9,20H,1-3H3 CH$LINK: CAS 19103-54-9
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 23.393333 min AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN
MS$FOCUSED_ION: BASE_PEAK 329.099200
PK$SPLASH: splash10-004i-0009000000-e87d5b316dfe6ad2f107 PK$NUM_PEAK: 17 PK$PEAK: m/z int. rel.int. 268.070800 19903.000000 16 285.073400 8492.000000 7 296.064600 34295.000000 28 299.048400 6825.000000 6 313.085800 18061.000000 15 314.089800 44626.000000 37 315.078400 6825.000000 6 329.099200 1211312.000000 999 329.256100 16467.000000 14 329.465400 18823.000000 16 329.639900 10018.000000 8 330.111100 238178.000000 196 330.408000 5617.000000 5 331.107100 35851.000000 30 351.089700 49549.000000 41 352.080800 6825.000000 6 367.040600 6825.000000 6 //