ACCESSION: MSBNK-RIKEN_NPDepo-CB000073
RECORD_TITLE: Majdine; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Alkaloids derived from tryptophan, Secologanin typtamine alkaloids, Indole alkaloids
CH$NAME: Majdine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C23H28N2O6
CH$EXACT_MASS: 428.4894
CH$SMILES: COC(=O)C1=CO[C@@H](C)C2CN3CC[C@]4(C(O)=Nc5c4ccc(OC)c5OC)C3CC12
CH$IUPAC: InChI=1S/C23H28N2O6/c1-12-14-10-25-8-7-23(18(25)9-13(14)15(11-31-12)21(26)30-4)16-5-6-17(28-2)20(29-3)19(16)24-22(23)27/h5-6,11-14,18H,7-10H2,1-4H3,(H,24,27)/t12-,13?,14?,18?,23+/m0/s1
CH$LINK: CAS
20497-42-1
CH$LINK: INCHIKEY
TTZWEOINXHJHCY-XHNSDYIJSA-N
AC$INSTRUMENT: ABSciex API3200 LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-004i-0002900000-8da0c6740cb9868eeccd
PK$NUM_PEAK: 150
PK$PEAK: m/z int. rel.int.
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