Dataset

Desmedipham

This MassBank record with Accession MSBNK-Athens_Univ-AU373803 contains the MS2 mass spectrum of Desmedipham with the InChIkey WZJZMXBKUWKXTQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H16N2O4/c1-2-21-15(19)18-13-9-6-10-14(11-13)22-16(20)17-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,20)(H,18,19)
SMILES CCOC(=O)NC1=CC=CC(OC(=O)NC2=CC=CC=C2)=C1
InChI Key WZJZMXBKUWKXTQ-UHFFFAOYSA-N
Molecular Formula C16H16N2O4
Exact Mass 300.111 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-Athens_Univ-AU373803
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:41:46.600128
MetadataModified 2025-02-08T19:13:08.959584
MetadataPublished 2015-12-08
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL16024 ChEMBL
C18417 KEGG Ligand
HMDB0251050 Human Metabolome Database
252967 Brenda
81733 ChEBI
J8.443C Nikkaji
ZINC000000187408 ZINC
DTXSID0034518 EPA CompTox Dashboard
HY-116482 MedChemExpress
CB2762504 ChemicalBook
24743 PubChem
C7V2TTX346 FDA SRS
14776114 PubChem: Thomson Pharma
13684-56-5 ACToR
SCHEMBL55084 SureChEMBL
509702 eMolecules
MCULE-1556003564 Mcule
The data in this table is sourced from UniChem at EBI.