Dataset

Cloransulam-methyl

This MassBank record with Accession MSBNK-Waters-WA000198 contains the MS2 mass spectrum of Cloransulam-methyl with the InChIkey BIKACRYIQSLICJ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H13ClFN5O5S/c1-3-27-15-18-10(17)7-11-19-14(20-22(11)15)28(24,25)21-12-8(13(23)26-2)5-4-6-9(12)16/h4-7,21H,3H2,1-2H3
SMILES CCOC(=N3)n(n1)c(C=C(F)3)nc1S(=O)(=O)Nc(c(Cl)2)c(ccc2)C(=O)OC
InChI Key BIKACRYIQSLICJ-UHFFFAOYSA-N
Molecular Formula C15H13ClFN5O5S
Exact Mass 429.031 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-WA000198
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:49:20.795953
MetadataModified 2024-01-11T22:49:20.944792
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
86453 PubChem
J719.378E Nikkaji
DTXSID8034372 EPA CompTox Dashboard
3760 ChEBI
ZINC000000900525 ZINC
147150-35-4 ACToR
SCHEMBL64266 SureChEMBL
N9P737Z6HO FDA SRS
16101634 PubChem: Thomson Pharma
MolPort-046-702-472 MolPort
CB0691826 ChemicalBook
C10907 KEGG Ligand
The data in this table is sourced from UniChem at EBI.