Dataset

Isomajdine

This MassBank record with Accession MSBNK-RIKEN-PR300579 contains the MS2 mass spectrum of Isomajdine with the InChIkey TTZWEOINXHJHCY-UHJVZONPSA-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)/t12-,13-,14-,18-,23+/m0/s1
SMILES COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@@]4([C@@H]3C[C@H]12)C(O)=NC1=C4C=CC(OC)=C1OC
InChI Key TTZWEOINXHJHCY-UHJVZONPSA-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-PR300579
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:41:09.093280
MetadataModified 2024-01-11T20:41:09.256251
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZIVSII CCDC
ZINC000014585356 ZINC
21627963 PubChem
CHEMBL2333535 ChEMBL
60063924 NMRShiftDB
The data in this table is sourced from UniChem at EBI.