Dataset

Isocorydine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81475 contains the MS mass spectrum of Isocorydine with the InChIkey QELDJEKNFOQJOY-UHFFFAOYSA-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
SMILES CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
InChI Key QELDJEKNFOQJOY-UHFFFAOYSA-N
Molecular Formula C20H23NO4
Exact Mass 341.163 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81475
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:28:12.959158
MetadataModified 2024-01-11T22:28:13.136218
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
60004209 NMRShiftDB
MCULE-2587470605 Mcule
J3.035.153C Nikkaji
48704 PubChem
CHEMBL4296916 ChEMBL
36284-37-4 ACToR
15397868 PubChem: Thomson Pharma
PD045474 ProbesDrugs
SCHEMBL11243442 SureChEMBL
The data in this table is sourced from UniChem at EBI.