ACCESSION: MSBNK-Univ_Toyama-TY000046
RECORD_TITLE: Dehydrocorydaline; 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$NAME: Dehydrocorydaline
CH$NAME: Dibenzo[a,g]quinolizinium, 5,6-dihydro-2,3,9,10-tetramethoxy-13-methyl-
CH$NAME: Berbinium, 7,8,13,13a-tetradehydro-2,3,9,10-tetramethoxy-13-methyl-
CH$NAME: Corydaline, dehydro-
CH$NAME: 13-Methylpalmatine
CH$NAME: Palmatine, 16-methyl-
CH$NAME: 5,6-Dihydro-2,3,9,10-tetramethoxy-13-methyldibenzo(a,g)quinolizinium
CH$NAME: Dibenzo(a,g)quinolizinium, 5,6-dihydro-13-methyl-2,3,9,10-tetramethoxy-
CH$COMPOUND_CLASS: Natural Product; Alkaloid
CH$FORMULA: C₂₂H₂₄NO₄⁺
CH$EXACT_MASS: 366.17053
CH$SMILES: COc(c4)c(OC)cc(c34)c([n+1](CC3)2)c(C)c(c1)c(c2)c(OC)c(OC)c1
CH$IUPAC: InChI=1S/C22H24NO4/c1-13-15-6-7-18(24-2)22(27-5)17(15)12-23-9-8-14-10-19(25-3)20(26-4)11-16(14)21(13)23/h6-7,10-12H,8-9H2,1-5H3/q+1
CH$LINK: CAS 30045-16-0
CH$LINK: NIKKAJI J19.822F
CH$LINK: PUBCHEM CID:34781
CH$LINK: INCHIKEY RFKQJTRWODZPHF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30904183

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 1017.701 sec
AC$CHROMATOGRAPHY: SOLVENT A 5 mM ammonium acetate
AC$CHROMATOGRAPHY: SOLVENT B CH3CN

MS$FOCUSED_ION: ION_TYPE [M]+

PK$SPLASH: splash10-014i-0009000000-e05cad6406c7b33b0d0b
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
366.1700 183243848 999
367.1723 49775695 271
//