Dataset

Ethofumesate-2-keto; LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EA011813 contains the MS2 mass spectrum of Ethofumesate-2-keto with the InChIkey CXWYCAYNZXSHTF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H12O5S/c1-11(2)8-6-7(16-17(3,13)14)4-5-9(8)15-10(11)12/h4-6H,1-3H3
SMILES CS(=O)(=O)Oc1cc2c(cc1)OC(=O)C2(C)C
InChI Key CXWYCAYNZXSHTF-UHFFFAOYSA-N
Molecular Formula C11H12O5S
Exact Mass 256.041 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-Eawag-EA011813
Version
Author
Maintainer
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MetadataPublished 2014-01-14
Related Molecule
  • (3,3-dimethyl-2-oxo-1-benzofuran-5-yl) methanesulfonate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:83510 chebi
    11258896 surechembl
    590774 pubchem
    DTXSID90343594 comptox
    Molport-042-622-813 molport
    The data in this table is sourced from UniChem at EBI.