MassBank Record: TY000052



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

ACCESSION: TY000052
RECORD_TITLE: Rhyncophylline; 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$NAME: Rhyncophylline CH$NAME: Rhynchophylline CH$NAME: Mitrinermine CH$NAME: Spiro[3H-indole-3,1'(5'H)-indolizine]-7'-acetic acid, 6'-ethyl-1,2,2',3',6',7',8',8'a-octahydro-alpha-(methoxymethylene)-2-oxo-, methyl ester, (alphaE,1'R,6'R,7'S,8'aS)- CH$NAME: Corynoxan-16-carboxylic acid, 16,17-didehydro-17-methoxy-2-oxo-, methyl ester, (7beta,16E,20alpha)- CH$NAME: Mitrinermin CH$NAME: NSC 21731 CH$NAME: Spiro[3H-indole-3,1'(5'H)-indolizine]-7'-acetic acid, 6'-ethyl-1,2,2',3',6',7',8',8'a-octahydro-alpha-(methoxymethylene)-2-oxo-, methyl ester, [1'R-[1'alpha,6'beta,7'alpha(E),8'a beta]]- CH$COMPOUND_CLASS: Natural Product; Alkaloid CH$FORMULA: C22H28N2O4 CH$EXACT_MASS: 384.20491 CH$SMILES: COC=C(C(=O)OC)C(C(CC)4)CC([H])(N(C4)3)C(CC3)(C(=O)1)c(c2)c(ccc2)N1 CH$IUPAC: InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15-,19-,22+/m0/s1 CH$LINK: CAS 76-66-4 CH$LINK: NIKKAJI J9.110C CH$LINK: PUBCHEM 5281408
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 1221.701 AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN
MS$FOCUSED_ION: ION_TYPE [M+H]+
PK$SPLASH: splash10-000i-0009000000-107a770215e06dec17c6 PK$NUM_PEAK: 2 PK$PEAK: m/z int. rel.int. 385.2126 304671310 999 386.2145 84643757 278 //