MassBank Record: TY000051



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

ACCESSION: TY000051
RECORD_TITLE: Palmatine; LC-ESI-ITTOF; MS; [M]+
DATE: 2016.01.19 (Created 2008.10.10, modified 2011.05.06)
AUTHORS: Ken Tanaka
LICENSE: CC BY-SA

CH$NAME: Palmatine CH$NAME: 5,6-Dihydro-2,3,9,10-tetramethoxydibenzo[a,g]quinolizinium CH$NAME: 7,8,13,13a-Tetradehydro-2,3,9,10-tetrahydroxyberbinium CH$NAME: Berbericinine CH$NAME: Hindarinine CH$NAME: Gindarinine CH$NAME: Palmatin CH$NAME: Calystigine CH$NAME: Burasaine CH$NAME: O,O-Dimethyldemethyleneberberine CH$NAME: Dibenzo[a,g]quinolizinium, 5,6-dihydro-2,3,9,10-tetramethoxy- CH$NAME: Berbinium, 7,8,13,13a-tetradehydro-2,3,9,10-tetramethoxy- CH$NAME: Depiline CH$NAME: 2,3,9,10-tetramethoxy-5,6-dihydroisoquino[3,2-a]isoquinolinium CH$COMPOUND_CLASS: Natural Product; Alkaloid CH$FORMULA: C21H22NO4 CH$EXACT_MASS: 352.15488 CH$SMILES: COc(c4)c(OC)cc(c34)c(c1)[n+1](CC3)cc(c(OC)2)c(ccc(OC)2)1 CH$IUPAC: InChI=1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1 CH$LINK: CAS 3486-67-7 CH$LINK: NIKKAJI J12.970D CH$LINK: PUBCHEM 19009
AC$INSTRUMENT: Shimadzu LC20A-IT-TOFMS AC$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$MASS_SPECTROMETRY: SCANNING_RANGE 100-2000 AC$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 958.101 AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN
MS$FOCUSED_ION: ION_TYPE [M]+
PK$SPLASH: splash10-0udi-0009000000-dc9e609c60a17f3628b7 PK$NUM_PEAK: 2 PK$PEAK: m/z int. rel.int. 352.1547 201373175 999 353.1572 51125880 254 //