MassBank Record: TY000051

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Palmatine; LC-ESI-ITTOF; MS; [M]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

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$EXACT_MASS: 352.15487999999999146893969736993312835693359375
CH$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$LINK: COMPTOX DTXSID9048065
CH$LINK: INCHIKEY QUCQEUCGKKTEBI-UHFFFAOYSA-N
CH$LINK: NIKKAJI J12.970D
CH$LINK: PUBCHEM CID: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
//