Dataset

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

This MassBank record with Accession MSBNK-Eawag-EQ01133407 contains the MS2 mass spectrum of Chinomethionat with the InChIkey FBQQHUGEACOBDN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H6N2OS2/c1-5-2-3-6-7(4-5)12-9-8(11-6)14-10(13)15-9/h2-4H,1H3
SMILES CC1=CC2=C(C=C1)N=C3C(=N2)SC(=O)S3
InChI Key FBQQHUGEACOBDN-UHFFFAOYSA-N
Molecular Formula C10H6N2OS2
Exact Mass 233.992 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-EQ01133407
Version
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Maintainer
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MetadataPublished 2023-04-27
Related Molecule
  • 6-methyl-[1,3]dithiolo[4,5-b]quinoxalin-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:34620 chebi
    CHEMBL1595865 chembl
    21205 surechembl
    29358969 surechembl
    17109 pubchem
    888OQA249R fdasrs
    The data in this table is sourced from UniChem at EBI.