Dataset

Benfuracarb

This MassBank record with Accession MSBNK-Eawag-EQ01120507 contains the MS2 mass spectrum of Benfuracarb with the InChIkey FYZBOYWSHKHDMT-UHFFFAOYSA-N.

Chemical Info

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-EQ01120507
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:06:06.248926
MetadataModified 2025-02-09T10:06:53.450236
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
3014 ChEBI
C11073 KEGG Ligand
J42.319J Nikkaji
HMDB0248952 Human Metabolome Database
DTXSID2041622 EPA CompTox Dashboard
54886 PubChem
14928824 PubChem: Thomson Pharma
807671FRZY FDA SRS
82560-54-1 ACToR
510409 eMolecules
CHEMBL2252178 ChEMBL
SCHEMBL27296 SureChEMBL
ZINC000004098987 ZINC
The data in this table is sourced from UniChem at EBI.