ACCESSION: MSBNK-Univ_Toyama-TY000045
RECORD_TITLE: Corydaline; LC-ESI-ITTOF; MS; [M+H]+
DATE: 2016.01.19 (Created 2008.10.10, modified 2011.05.06)
AUTHORS: Ken Tanaka
LICENSE: CC BY-SA

CH$NAME: Corydaline
CH$NAME: 5,8,13,13a-Tetrahydro-2,3,9,10-tetramethoxy-13-methyl-6H-dibenzo[a,g]quinolizine
CH$NAME: 2,3,9,10-Tetramethoxy-13-methylberbine
CH$NAME: Corydalis A
CH$NAME: 6H-Dibenzo[a,g]quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-13-methyl-, (13S,13aR)-
CH$NAME: 13a beta-Berbine, 2,3,9,10-tetramethoxy-13alpha-methyl-
CH$NAME: 6H-Dibenzo[a,g]quinolizine
CH$NAME: 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-13-methyl-, (13S-trans)-
CH$NAME: 7,8,13,13alpha-Tetrahydrocorydaline
CH$NAME: NSC 406036
CH$NAME: d-Corydaline
CH$NAME: Berbine, 2,3,9,10-tetramethoxy-13-methyl-
CH$NAME: (13S,13aR)-2,3,9,10-tetramethoxy-13-methyl-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline
CH$COMPOUND_CLASS: Natural Product; Alkaloid
CH$FORMULA: C₂₂H₂₇NO₄
CH$EXACT_MASS: 369.19401
CH$SMILES: COc(c4)c(OC)cc(c43)C([H])(N(CC3)1)C(C)c(c2)c(c(OC)c(OC)c2)C1
CH$IUPAC: InChI=1S/C22H27NO4/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/h6-7,10-11,13,21H,8-9,12H2,1-5H3/t13-,21+/m0/s1
CH$LINK: CAS 518-69-4
CH$LINK: NIKKAJI J34.125H
CH$LINK: PUBCHEM CID:101301
CH$LINK: INCHIKEY VRSRXLJTYQVOHC-YEJXKQKISA-N
CH$LINK: COMPTOX DTXSID90199735

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 1518.901 sec
AC$CHROMATOGRAPHY: SOLVENT A 5 mM ammonium acetate
AC$CHROMATOGRAPHY: SOLVENT B CH3CN

MS$FOCUSED_ION: ION_TYPE [M+H]+

PK$SPLASH: splash10-00di-0009000000-462846c6224aed8ed6ac
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  368.1850 31650157 108
  370.2010 291606406 999
  371.2037 71406331 245
//