Dataset

Ethiofencarb-Sulfone; LC-ESI-QFT; MS2; CE: 180%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01124409 contains the MS2 mass spectrum of Ethiofencarb-Sulfone with the InChIkey IOPTXXRNXCPJGO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H15NO4S/c1-3-17(14,15)8-9-6-4-5-7-10(9)16-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)
SMILES CCS(=O)(=O)CC1=CC=CC=C1OC(=O)NC
InChI Key IOPTXXRNXCPJGO-UHFFFAOYSA-N
Molecular Formula C11H15NO4S
Exact Mass 257.072 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01124409
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MetadataPublished 2023-04-27
Related Molecule
  • [2-(ethylsulfonylmethyl)phenyl] N-methylcarbamate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    119490 PubChem
    J531.099G Nikkaji
    SCHEMBL22498740 SureChEMBL
    ZINC000002243723 ZINC
    174373 ChEBI
    HMDB0040288 Human Metabolome Database
    510467 eMolecules
    53380-23-7 ACToR
    The data in this table is sourced from UniChem at EBI.