Dataset

Furathiocarb

This MassBank record with Accession MSBNK-Eawag-EQ01127002 contains the MS2 mass spectrum of Furathiocarb with the InChIkey HAWJXYBZNNRMNO-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H26N2O5S/c1-6-7-11-23-16(21)19(4)26-20(5)17(22)24-14-10-8-9-13-12-18(2,3)25-15(13)14/h8-10H,6-7,11-12H2,1-5H3
SMILES CCCCOC(=O)N(C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C
InChI Key HAWJXYBZNNRMNO-UHFFFAOYSA-N
Molecular Formula C18H26N2O5S
Exact Mass 382.156 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-EQ01127002
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:05:03.686859
MetadataModified 2025-02-09T10:34:53.056519
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J21.613E Nikkaji
HMDB0252533 Human Metabolome Database
CB9189847 ChemicalBook
DTXSID3052725 EPA CompTox Dashboard
C18650 KEGG Ligand
CHEMBL1551453 ChEMBL
38504 ChEBI
509921 eMolecules
65907-30-4 ACToR
14878053 PubChem: Thomson Pharma
WZI2IZ80UY FDA SRS
ZINC000005514002 ZINC
47759 PubChem
SCHEMBL26806 SureChEMBL
The data in this table is sourced from UniChem at EBI.