Dataset

Ethofumesate-2-hydroxy; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ419652 contains the MS2 mass spectrum of Ethofumesate-2-hydroxy with the InChIkey KNHJTPLSWOEZHZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H14O5S/c1-11(2)8-6-7(16-17(3,13)14)4-5-9(8)15-10(11)12/h4-6,10,12H,1-3H3
SMILES CC1(C)C(O)OC2=CC=C(OS(C)(=O)=O)C=C12
InChI Key KNHJTPLSWOEZHZ-UHFFFAOYSA-N
Molecular Formula C11H14O5S
Exact Mass 258.056 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-EQ419652
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Maintainer
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MetadataPublished 2019-12-03
Related Molecule
  • (2-hydroxy-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
    J1.751.736H Nikkaji
    536079 PubChem
    SCHEMBL11260239 SureChEMBL
    The data in this table is sourced from UniChem at EBI.