Dataset

Oxasulfuron

This MassBank record with Accession MSBNK-Eawag-EQ00349003 contains the MS2 mass spectrum of Oxasulfuron with the InChIkey IOXAXYHXMLCCJJ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H18N4O6S/c1-10-7-11(2)19-16(18-10)20-17(23)21-28(24,25)14-6-4-3-5-13(14)15(22)27-12-8-26-9-12/h3-7,12H,8-9H2,1-2H3,(H2,18,19,20,21,23)
SMILES CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC3COC3)C
InChI Key IOXAXYHXMLCCJJ-UHFFFAOYSA-N
Molecular Formula C17H18N4O6S
Exact Mass 406.095 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-EQ00349003
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:46:24.705603
MetadataModified 2025-02-09T09:46:24.893047
MetadataPublished 2024-06-14
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
511330 eMolecules
144651-06-9 ACToR
56440241 PubChem: Thomson Pharma
698F069J44 FDA SRS
86443 PubChem
SCHEMBL66884 SureChEMBL
ZINC000013831537 ZINC
CHEMBL1903152 ChEMBL
CB5242564 ChemicalBook
DTXSID4034364 EPA CompTox Dashboard
J943.172A Nikkaji
The data in this table is sourced from UniChem at EBI.