Dataset

Halosulfuron-Methyl

This MassBank record with Accession MSBNK-Eawag-EQ01126705 contains the MS2 mass spectrum of Halosulfuron-Methyl with the InChIkey FMGZEUWROYGLAY-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H15ClN6O7S/c1-20-10(8(9(14)18-20)11(21)27-4)28(23,24)19-13(22)17-12-15-6(25-2)5-7(16-12)26-3/h5H,1-4H3,(H2,15,16,17,19,22)
SMILES CN1C(=C(C(=N1)Cl)C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC
InChI Key FMGZEUWROYGLAY-UHFFFAOYSA-N
Molecular Formula C13H15ClN6O7S
Exact Mass 434.041 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-EQ01126705
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:01:21.366941
MetadataModified 2025-02-09T10:05:25.451601
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
91763 PubChem
CHEMBL2140532 ChEMBL
15777856 PubChem: Thomson Pharma
100784-20-1 ACToR
PD158970 ProbesDrugs
W1CP17GD87 FDA SRS
2733156 eMolecules
SCHEMBL55094 SureChEMBL
HMDB0034859 Human Metabolome Database
ZINC000002381596 ZINC
J640.666A Nikkaji
81750 ChEBI
DTXSID9034650 EPA CompTox Dashboard
CB0161549 ChemicalBook
C18442 KEGG Ligand
The data in this table is sourced from UniChem at EBI.