Dataset

Isomajdine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR304804 contains the MS2 mass spectrum of Isomajdine with the InChIkey TTZWEOINXHJHCY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI 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)
SMILES COC(=O)C1=COC(C)C2CN3CCC4(C3CC12)C(O)=NC1=C4C=CC(OC)=C1OC
InChI Key TTZWEOINXHJHCY-UHFFFAOYSA-N
Molecular Formula C23H28N2O6
Exact Mass 428.485 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR304804
Version
Author
Maintainer
Language
MetadataPublished 2019-03-28
Related Molecule
  • methyl 6',7'-dimethoxy-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:180529 chebi
    3753277 pubchem
    The data in this table is sourced from UniChem at EBI.