Dataset

Amidosulfuron

This MassBank record with Accession MSBNK-Athens_Univ-AU255606 contains the MS2 mass spectrum of Amidosulfuron with the InChIkey CTTHWASMBLQOFR-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H15N5O7S2/c1-14(22(4,16)17)23(18,19)13-9(15)12-8-10-6(20-2)5-7(11-8)21-3/h5H,1-4H3,(H2,10,11,12,13,15)
SMILES COC1=CC(OC)=NC(NC(=O)NS(=O)(=O)N(C)S(C)(=O)=O)=N1
InChI Key CTTHWASMBLQOFR-UHFFFAOYSA-N
Molecular Formula C9H15N5O7S2
Exact Mass 369.041 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU255606
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:50:28.286494
MetadataModified 2025-02-08T19:23:25.566968
MetadataPublished 2019-05-29
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J661.714J Nikkaji
2635 ChEBI
ZINC000001532061 ZINC
DTXSID7057945 EPA CompTox Dashboard
CB1433674 ChemicalBook
C10933 KEGG Ligand
SCHEMBL54922 SureChEMBL
2733164 eMolecules
15953374 PubChem: Thomson Pharma
91777 PubChem
6ZNU868K0S FDA SRS
120923-37-7 ACToR
WRQ PDBe
The data in this table is sourced from UniChem at EBI.