Dataset

Cyazofamid

This MassBank record with Accession MSBNK-Waters-WA000066 contains the MS2 mass spectrum of Cyazofamid with the InChIkey YXKMMRDKEKCERS-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H13ClN4O2S/c1-9-4-6-10(7-5-9)12-13(14)16-11(8-15)18(12)21(19,20)17(2)3/h4-7H,1-3H3
SMILES Cc(c2)ccc(c2)c(c(Cl)1)n(c(C#N)n1)S(=O)(=O)N(C)C
InChI Key YXKMMRDKEKCERS-UHFFFAOYSA-N
Molecular Formula C13H13ClN4O2S
Exact Mass 324.045 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-WA000066
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:36:20.899263
MetadataModified 2025-02-09T20:27:29.003402
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1863429 ChEMBL
C18573 KEGG Ligand
XIGWIV CCDC
J1.067.646K Nikkaji
DTXSID9034492 EPA CompTox Dashboard
CB5485545 ChemicalBook
ZINC000002526846 ZINC
9862076 PubChem
14826364 PubChem: Thomson Pharma
81841 ChEBI
SCHEMBL22923 SureChEMBL
120116-88-3 ACToR
QJC4S2YQ4B FDA SRS
13732299 eMolecules
The data in this table is sourced from UniChem at EBI.