Dataset

Diclosulam

This MassBank record with Accession MSBNK-Waters-WA000207 contains the MS2 mass spectrum of Diclosulam with the InChIkey QNXAVFXEJCPCJO-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H10Cl2FN5O3S/c1-2-24-13-17-9(16)6-10-18-12(19-21(10)13)25(22,23)20-11-7(14)4-3-5-8(11)15/h3-6,20H,2H2,1H3
SMILES CCOC(=N3)n(n1)c(C=C(F)3)nc1S(=O)(=O)Nc(c(Cl)2)c(Cl)ccc2
InChI Key QNXAVFXEJCPCJO-UHFFFAOYSA-N
Molecular Formula C13H10Cl2FN5O3S
Exact Mass 404.987 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000207
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:48:06.449543
MetadataModified 2024-01-11T22:48:06.628627
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1873575 ChEMBL
C18821 KEGG Ligand
CB0444990 ChemicalBook
ZINC000002540060 ZINC
DTXSID4034528 EPA CompTox Dashboard
81984 ChEBI
145701-21-9 ACToR
16161808 PubChem: Thomson Pharma
6X5DO0I08Z FDA SRS
J1.199.744I Nikkaji
3081304 PubChem
SCHEMBL116344 SureChEMBL
The data in this table is sourced from UniChem at EBI.