Dataset

Triasulfuron

This MassBank record with Accession MSBNK-Eawag-EQ00355407 contains the MS2 mass spectrum of Triasulfuron with the InChIkey XOPFESVZMSQIKC-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21)
SMILES CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2OCCCl
InChI Key XOPFESVZMSQIKC-UHFFFAOYSA-N
Molecular Formula C14H16ClN5O5S
Exact Mass 401.056 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-EQ00355407
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:47:04.411617
MetadataModified 2025-02-09T09:47:04.603586
MetadataPublished 2024-06-14
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL24021 SureChEMBL
73282 PubChem
56361626 PubChem: Thomson Pharma
82097-50-5 ACToR
135100-29-7 ACToR
299LHF498M FDA SRS
498495 eMolecules
J407.003H Nikkaji
9673 ChEBI
ZINC000001532080 ZINC
DTXSID0024345 EPA CompTox Dashboard
151283 Brenda
CB3324532 ChemicalBook
C10961 KEGG Ligand
CHEMBL1896787 ChEMBL
The data in this table is sourced from UniChem at EBI.