Dataset

Dehydrocorydaline

This MassBank record with Accession MSBNK-RIKEN-PR300744 contains the MS2 mass spectrum of Dehydrocorydaline with the InChIkey RFKQJTRWODZPHF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H24NO4/c1-13-15-6-7-18(24-2)22(27-5)17(15)12-23-9-8-14-10-19(25-3)20(26-4)11-16(14)21(13)23/h6-7,10-12H,8-9H2,1-5H3/q+1
SMILES COC1=C(OC)C2=C[N+]3=C(C(C)=C2C=C1)C1=CC(OC)=C(OC)C=C1CC3
InChI Key RFKQJTRWODZPHF-UHFFFAOYSA-N
Molecular Formula [C22H24NO4]+
Exact Mass 366.437 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-PR300744
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:38:48.878898
MetadataModified 2025-02-09T17:41:29.474220
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J19.822F Nikkaji
HY-N0674 MedChemExpress
CEXNUO CCDC
ZINC000000597214 ZINC
81342 ChEBI
C17790 KEGG Ligand
MTBLC81342 Metabolights
34781 PubChem
CB61178432 ChemicalBook
15326012 PubChem: Thomson Pharma
30045-16-0 ACToR
CHEMBL1917176 ChEMBL
SCHEMBL14513602 SureChEMBL
60032589 NMRShiftDB
PD062976 ProbesDrugs
The data in this table is sourced from UniChem at EBI.