Dataset

Prosulfuron

This MassBank record with Accession MSBNK-Eawag-EQ00349204 contains the MS2 mass spectrum of Prosulfuron with the InChIkey LTUNNEGNEKBSEH-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)
SMILES COC1=NC(C)=NC(NC(=O)NS(=O)(=O)C2=C(CCC(F)(F)F)C=CC=C2)=N1
InChI Key LTUNNEGNEKBSEH-UHFFFAOYSA-N
Molecular Formula C15H16F3N5O4S
Exact Mass 419.088 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-EQ00349204
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:27:20.232142
MetadataModified 2025-02-09T09:27:20.408013
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
16835213 PubChem: Thomson Pharma
94125-34-5 ACToR
NG7LE47J14 FDA SRS
510891 eMolecules
206234 Brenda
ZINC000000900594 ZINC
SCHEMBL56036 SureChEMBL
CHEMBL2251587 ChEMBL
QUTKAU CCDC
J653.647F Nikkaji
DTXSID9034868 EPA CompTox Dashboard
8523 ChEBI
CB9186639 ChemicalBook
91751 PubChem
C10950 KEGG Ligand
The data in this table is sourced from UniChem at EBI.