Dataset

Chinomethionat

This MassBank record with Accession MSBNK-Eawag-EQ01133407 contains the MS2 mass spectrum of Chinomethionat with the InChIkey FBQQHUGEACOBDN-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H6N2OS2/c1-5-2-3-6-7(4-5)12-9-8(11-6)14-10(13)15-9/h2-4H,1H3
SMILES CC1=CC2=C(C=C1)N=C3C(=N2)SC(=O)S3
InChI Key FBQQHUGEACOBDN-UHFFFAOYSA-N
Molecular Formula C10H6N2OS2
Exact Mass 233.992 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-EQ01133407
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:28:35.653539
MetadataModified 2025-02-09T09:32:41.742415
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
20208870 NMRShiftDB
SCHEMBL21205 SureChEMBL
888OQA249R FDA SRS
113535-72-1 ACToR
2439-01-2 ACToR
14773890 PubChem: Thomson Pharma
17109 PubChem
509626 eMolecules
J3.029E Nikkaji
ZINC000001590887 ZINC
DTXSID2032342 EPA CompTox Dashboard
CB8223940 ChemicalBook
34620 ChEBI
CHEMBL1595865 ChEMBL
C14514 KEGG Ligand
The data in this table is sourced from UniChem at EBI.