Dataset

Isomajdine

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

Chemical Info

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
MetadataCreated 2024-01-11T19:30:25.666889
MetadataModified 2025-02-09T18:28:46.932314
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
70072135 NMRShiftDB
180529 ChEBI
3753277 PubChem
The data in this table is sourced from UniChem at EBI.