Dataset

Flumetsulam

This MassBank record with Accession MSBNK-Waters-WA000244 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-WA000244
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:47:54.160352
MetadataModified 2024-01-11T22:47:54.314682
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C18852 KEGG Ligand
CHEMBL1389671 ChEMBL
8240186 eMolecules
DTXSID4032615 EPA CompTox Dashboard
50004708 BindingDB
82011 ChEBI
ZINC000000481639 ZINC
CB8324643 ChemicalBook
87727 Brenda
J653.649B Nikkaji
SCHEMBL54906 SureChEMBL
MAPPUP CCDC
X89F0S6LW8 FDA SRS
91759 PubChem
16573477 PubChem: Thomson Pharma
98967-40-9 ACToR
The data in this table is sourced from UniChem at EBI.