Dataset

Cymoxanil; LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EA011213 contains the MS2 mass spectrum of Cymoxanil with the InChIkey XERJKGMBORTKEO-VZUCSPMQSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+
SMILES CCNC(=O)NC(=O)/C(=N/OC)/C#N
InChI Key XERJKGMBORTKEO-VZUCSPMQSA-N
Molecular Formula C7H10N4O3
Exact Mass 198.075 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EA011213
Version
Author
Maintainer
Language
MetadataPublished 2014-01-14
Related Molecule
  • (1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL59983 chembl
    21162 surechembl
    5364079 pubchem
    QJO7SS7R8U fdasrs
    PD078796 probes_and_drugs
    AQETIZ CCDC
    Molport-003-930-633 molport
    The data in this table is sourced from UniChem at EBI.