Dataset

Etridiazole

This MassBank record with Accession MSBNK-Eawag-EQ01136104 contains the MS2 mass spectrum of Etridiazole with the InChIkey KQTVWCSONPJJPE-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3
SMILES CCOC1=NC(=NS1)C(Cl)(Cl)Cl
InChI Key KQTVWCSONPJJPE-UHFFFAOYSA-N
Molecular Formula C5H5Cl3N2OS
Exact Mass 245.919 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-Eawag-EQ01136104
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:55:13.137935
MetadataModified 2025-02-09T09:47:33.865666
MetadataPublished 2023-04-27
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
17432 PubChem
24261529 PubChem: Thomson Pharma
81761 ChEBI
2593-15-9 ACToR
9F8237I875 FDA SRS
499788 eMolecules
SCHEMBL20227 SureChEMBL
C18460 KEGG Ligand
J3.391J Nikkaji
CB0145031 ChemicalBook
HMDB0252123 Human Metabolome Database
CHEMBL3183350 ChEMBL
ZINC000001605809 ZINC
DTXSID3032547 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.