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
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Maintainer
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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
    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.