Dataset

Ethofumesate; LC-ESI-QTOF; MS2; 100 V

This MassBank record with Accession MSBNK-BAFG-CSL23111017353 contains the MS2 mass spectrum of Ethofumesate with the InChIkey IRCMYGHHKLLGHV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3
SMILES CCOC1C(c2cc(ccc2O1)OS(=O)(=O)C)(C)C
InChI Key IRCMYGHHKLLGHV-UHFFFAOYSA-N
Molecular Formula C13H18O5S
Exact Mass 286.087 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111017353
Version
Author
Maintainer
Language
MetadataPublished 2023-11-10
Related Molecule
  • (2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:83768 chebi
    CHEMBL2133153 chembl
    29355311 surechembl
    55264 surechembl
    33360 pubchem
    3051U1Z8KV fdasrs
    PD206456 probes_and_drugs
    HMDB0252019 hmdb
    Molport-002-140-949 molport
    The data in this table is sourced from UniChem at EBI.