MassBank Record: TY000106



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

ACCESSION: TY000106
RECORD_TITLE: Coptisine; LC-ESI-ITTOF; MS; [M]+
DATE: 2016.01.19 (Created 2010.06.24, modified 2011.05.06)
AUTHORS: Ken TANAKA
LICENSE: CC BY-SA

CH$NAME: Coptisine CH$NAME: 6,7-Dihydro-bis[1,3]benzodioxolo[5,6-a:4',5'-g]quinolizinium CH$NAME: 7,8,13,13a-Tetradehydro-2,3:9,10-bis(methylenedioxy)-berbinium CH$NAME: Alkaloid A from Coptis groenlandica CH$NAME: Coptisin CH$COMPOUND_CLASS: Natural Product; Alkaloid CH$FORMULA: C19H14NO4 CH$EXACT_MASS: 320.09228 CH$SMILES: C(O1)Oc(c2)c1cc(C6)c2c(c3)[n+1](C6)cc(c54)c(ccc(OCO5)4)3 CH$IUPAC: InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1 CH$LINK: CAS 3486-66-6
AC$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$MASS_SPECTROMETRY: INTERFACE_VOLTAGE +4.50 kV AC$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 15.301667 min
MS$FOCUSED_ION: BASE_PEAK 320.094000
PK$SPLASH: splash10-00di-0009000000-a2935cf0eeab228992d9 PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 249.067300 118852.000000 3 263.090400 118852.000000 3 277.081600 207285.000000 5 290.075200 238870.000000 6 291.090800 210471.000000 5 292.091800 578795.000000 14 293.078000 118852.000000 3 318.085700 150488.000000 4 320.094000 40586134.000000 999 320.248800 626156.000000 15 320.403600 840433.000000 21 320.644400 534970.000000 13 320.868200 239313.000000 6 321.092000 10113002.000000 249 321.402000 210110.000000 5 321.643300 159872.000000 4 322.091500 844547.000000 21 336.124400 207285.000000 5 //