Dataset

Formothion; LC-ESI-QFT; MS2; CE: 150%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01137108 contains the MS2 mass spectrum of Formothion with the InChIkey AIKKULXCBHRFOS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H12NO4PS2/c1-7(5-8)6(9)4-14-12(13,10-2)11-3/h5H,4H2,1-3H3
SMILES CN(C=O)C(=O)CSP(=S)(OC)OC
InChI Key AIKKULXCBHRFOS-UHFFFAOYSA-N
Molecular Formula C6H12NO4PS2
Exact Mass 256.995 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-EQ01137108
Version
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Maintainer
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MetadataPublished 2023-04-27
Related Molecule
  • 2-dimethoxyphosphinothioylsulfanyl-N-formyl-N-methylacetamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:82126 chebi
    CHEMBL449733 chembl
    116325 surechembl
    17345 pubchem
    7O9EWV477R fdasrs
    HMDB0252447 hmdb
    Molport-006-109-711 molport
    The data in this table is sourced from UniChem at EBI.