Dataset

Isocorydine

This MassBank record with Accession MSBNK-RIKEN-PR300770 contains the MS2 mass spectrum of Isocorydine with the InChIkey QELDJEKNFOQJOY-ZDUSSCGKSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1
SMILES COC1=C(O)C2=C(C[C@@H]3N(C)CCC4=CC(OC)=C(OC)C2=C34)C=C1
InChI Key QELDJEKNFOQJOY-ZDUSSCGKSA-N
Molecular Formula C20H23NO4
Exact Mass 341.407 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-PR300770
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:51:04.490373
MetadataModified 2025-02-09T18:31:21.865519
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C09549 KEGG Ligand
CHEMBL489525 ChEMBL
ZINC000000056792 ZINC
J5.971D Nikkaji
6000 ChEBI
50250273 BindingDB
HY-N2591 MedChemExpress
85076 Brenda
HMDB0030184 Human Metabolome Database
CB6238999 ChemicalBook
MTBLC6000 Metabolights
175021 Brenda
147409 Brenda
SCHEMBL679908 SureChEMBL
10143 PubChem
60026209 NMRShiftDB
PD001550 ProbesDrugs
LSM-20943 LINCS
13552-72-2 ACToR
3B5E87JEOX FDA SRS
519509 eMolecules
The data in this table is sourced from UniChem at EBI.