Dataset

Flumetsulam

This MassBank record with Accession MSBNK-Waters-WA000241 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-WA000241
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:48:16.089248
MetadataModified 2024-01-11T22:48:16.261370
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1389671 ChEMBL
C18852 KEGG Ligand
82011 ChEBI
DTXSID4032615 EPA CompTox Dashboard
ZINC000000481639 ZINC
50004708 BindingDB
J653.649B Nikkaji
MAPPUP CCDC
CB8324643 ChemicalBook
87727 Brenda
98967-40-9 ACToR
91759 PubChem
X89F0S6LW8 FDA SRS
16573477 PubChem: Thomson Pharma
SCHEMBL54906 SureChEMBL
8240186 eMolecules
The data in this table is sourced from UniChem at EBI.