Dataset

Etridiazole; LC-ESI-QFT; MS2; CE: 120%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01136107 contains the MS2 mass spectrum of Etridiazole with the InChIkey KQTVWCSONPJJPE-UHFFFAOYSA-N.

Chemical Information

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-EQ01136107
Version
Author
Maintainer
Language
MetadataPublished 2023-04-27
Related Molecule
  • 5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:81761 chebi
    CHEMBL3183350 chembl
    20227 surechembl
    17432 pubchem
    9F8237I875 fdasrs
    HMDB0252123 hmdb
    Molport-006-109-706 molport
    The data in this table is sourced from UniChem at EBI.