Dataset

Methiocarb-sulfoxide; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EA295310 contains the MS2 mass spectrum of Methiocarb-sulfoxide with the InChIkey FNCMBMZOZQAWJA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H15NO3S/c1-7-5-9(15-11(13)12-3)6-8(2)10(7)16(4)14/h5-6H,1-4H3,(H,12,13)
SMILES O=C(Oc1cc(c(c(c1)C)S(=O)C)C)NC
InChI Key FNCMBMZOZQAWJA-UHFFFAOYSA-N
Molecular Formula C11H15NO3S
Exact Mass 241.077 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-EA295310
Version
Author
Maintainer
Language
MetadataPublished 2014-01-14
Related Molecule
  • (3,5-dimethyl-4-methylsulfinylphenyl) N-methylcarbamate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    17521 PubChem
    10173772 eMolecules
    2635-10-1 ACToR
    SCHEMBL5934106 SureChEMBL
    83542 ChEBI
    S9303L7A4D FDA SRS
    DTXSID8042139 EPA CompTox Dashboard
    MTBLC83542 Metabolights
    J21.249K Nikkaji
    136895 Brenda
    The data in this table is sourced from UniChem at EBI.