Dataset

Fomesafen

This MassBank record with Accession MSBNK-Waters-WA000262 contains the MS2 mass spectrum of Fomesafen with the InChIkey BGZZWXTVIYUUEY-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H10ClF3N2O6S/c1-28(25,26)20-14(22)10-7-9(3-4-12(10)21(23)24)27-13-5-2-8(6-11(13)16)15(17,18)19/h2-7H,1H3,(H,20,22)
SMILES O=N(=O)c(c2)c(cc(c2)Oc(c1)c(Cl)cc(c1)C(F)(F)F)C(=O)NS(C)(=O)=O
InChI Key BGZZWXTVIYUUEY-UHFFFAOYSA-N
Molecular Formula C15H10ClF3N2O6S
Exact Mass 437.990 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-WA000262
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:43:02.930487
MetadataModified 2025-02-09T20:20:26.272644
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1898629 ChEMBL
C18736 KEGG Ligand
HMDB0252429 Human Metabolome Database
HY-B2010 MedChemExpress
81925 ChEBI
SCHEMBL16881788 SureChEMBL
ZINC000001851764 ZINC
DTXSID7024112 EPA CompTox Dashboard
223753 Brenda
CB9347894 ChemicalBook
511214 eMolecules
51556 PubChem
14881379 PubChem: Thomson Pharma
SCHEMBL39607 SureChEMBL
M0A3U4CDTF FDA SRS
72178-02-0 ACToR
PD166499 ProbesDrugs
The data in this table is sourced from UniChem at EBI.