Dataset

Flumetsulam; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

This MassBank record with Accession MSBNK-Waters-WA000243 contains the MS2 mass spectrum of Flumetsulam with the InChIkey RXCPQSJAVKGONC-UHFFFAOYSA-N.

Chemical Information

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-WA000243
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MetadataPublished 2016-01-19
Related Molecule
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    • 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.