Dataset

Flumetsulam

This MassBank record with Accession MSBNK-Waters-WA000240 contains the MS2 mass spectrum of Flumetsulam with the InChIkey RXCPQSJAVKGONC-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H9F2N5O2S/c1-7-5-6-19-11(15-7)16-12(17-19)22(20,21)18-10-8(13)3-2-4-9(10)14/h2-6,18H,1H3
SMILES CC(C=3)=Nc(n1)n(C3)nc1S(=O)(=O)Nc(c(F)2)c(F)ccc2
InChI Key RXCPQSJAVKGONC-UHFFFAOYSA-N
Molecular Formula C12H9F2N5O2S
Exact Mass 325.045 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-WA000240
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:40:07.825092
MetadataModified 2025-02-09T20:22:16.873622
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
87727 Brenda
ZINC000000481639 ZINC
SCHEMBL54906 SureChEMBL
X89F0S6LW8 FDA SRS
91759 PubChem
16573477 PubChem: Thomson Pharma
98967-40-9 ACToR
8240186 eMolecules
C18852 KEGG Ligand
CHEMBL1389671 ChEMBL
CB8324643 ChemicalBook
50004708 BindingDB
DTXSID4032615 EPA CompTox Dashboard
82011 ChEBI
MAPPUP CCDC
J653.649B Nikkaji
The data in this table is sourced from UniChem at EBI.