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MassBank Record: TY000057

Rhyncophylline; LC-ESI-ITTOF; MS; [M-H]-

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

ACCESSION: TY000057
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
CH$LINK: INCHIKEY DAXYUDFNWXHGBE-KAXDATADSA-N
CH$LINK: COMPTOX DTXSID70878612

AC$INSTRUMENT: Shimadzu LC20A-IT-TOFMS
AC$INSTRUMENT_TYPE: LC-ESI-ITTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: CDL_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: INTERFACE_VOLTAGE -3.50 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 1219.099 sec
AC$CHROMATOGRAPHY: SOLVENT A 5 mM ammonium acetate
AC$CHROMATOGRAPHY: SOLVENT B CH3CN

MS$FOCUSED_ION: ION_TYPE [M-H]-

PK$SPLASH: splash10-001i-0009000000-7f8b990c86d9be1fcd27
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  383.1972 4136557 999
  384.2004 1033081 249
//

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