Dataset

Benfuracarb; LC-ESI-QFT; MS2; CE: 75%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01120505 contains the MS2 mass spectrum of Benfuracarb with the InChIkey FYZBOYWSHKHDMT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3
SMILES CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C
InChI Key FYZBOYWSHKHDMT-UHFFFAOYSA-N
Molecular Formula C20H30N2O5S
Exact Mass 410.188 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-EQ01120505
Version
Author
Maintainer
Language
MetadataPublished 2023-04-27
Related Molecule
  • ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:3014 chebi
    CHEMBL2252178 chembl
    27296 surechembl
    54886 pubchem
    807671FRZY fdasrs
    HMDB0248952 hmdb
    The data in this table is sourced from UniChem at EBI.