Dataset

Methyl 3-sulfamoylthiophene-2-carboxylate; ESI-QTOF; MS2; CE: 20; [M-H]-

This MassBank record with Accession MSBNK-EPA-ENTACT_AGILENT000633 contains the MS2 mass spectrum of Methyl 3-sulfamoylthiophene-2-carboxylate with the InChIkey PMXNPOJHBQDJKS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H7NO4S2/c1-11-6(8)5-4(2-3-12-5)13(7,9)10/h2-3H,1H3,(H2,7,9,10)
SMILES COC(=O)C1SC=CC=1S(N)(=O)=O
InChI Key PMXNPOJHBQDJKS-UHFFFAOYSA-N
Molecular Formula C6H7NO4S2
Exact Mass 220.982 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-EPA-ENTACT_AGILENT000633
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MetadataPublished 2023-05-02
Related Molecule
  • methyl 3-sulfamoylthiophene-2-carboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL3184199 chembl
    4358291 surechembl
    101012 pubchem
    ESI9CQO80V fdasrs
    DTXSID0044490 comptox
    Molport-000-884-657 molport
    The data in this table is sourced from UniChem at EBI.