Dataset

Thiamethoxam; LC-ESI-QTOF; MS2; CE: 20-40eV; [M+H]+

This MassBank record with Accession MSBNK-mFam-MC07_000108 contains the MS2 mass spectrum of Thiamethoxam with the InChIkey NWWZPOKUUAIXIW-UHFFFAOYSA-N.

Chemical Information

Molecular Image
InChI InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3
SMILES CN1COCN(CC2=CN=C(Cl)S2)C1=NN(=O)=O
InChI Key NWWZPOKUUAIXIW-UHFFFAOYSA-N
Molecular Formula C8H10ClN5O3S
Exact Mass 291.019 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-mFam-MC07_000108
Version
Author
Maintainer
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MetadataPublished 2023-02-10
Related Molecule
  • N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:39185 chebi
    CHEMBL3186997 chembl
    22918 surechembl
    107646 pubchem
    PD088597 probes_and_drugs
    HANFIM CCDC
    HMDB0258969 hmdb
    DTXSID2034962 comptox
    The data in this table is sourced from UniChem at EBI.