Dataset

Fluazinam; LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EA011952 contains the MS2 mass spectrum of Fluazinam with the InChIkey UZCGKGPEKUCDTF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)
SMILES n1cc(C(F)(F)F)cc(Cl)c1Nc1c([N+]([O-])=O)c(Cl)c(C(F)(F)F)cc1[N+]([O-])=O
InChI Key UZCGKGPEKUCDTF-UHFFFAOYSA-N
Molecular Formula C13H4Cl2F6N4O4
Exact Mass 463.951 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EA011952
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MetadataPublished 2014-01-14
Related Molecule
  • 3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C18578 KEGG Ligand
    CHEMBL1878267 ChEMBL
    NIPDOH CCDC
    HY-B1839 MedChemExpress
    DTXSID7032551 EPA CompTox Dashboard
    CB1161197 ChemicalBook
    ZINC000013827765 ZINC
    20209712 NMRShiftDB
    SCHEMBL22373 SureChEMBL
    91731 PubChem
    14784880 PubChem: Thomson Pharma
    0P91PCK33Q FDA SRS
    81843 ChEBI
    79622-59-6 ACToR
    113015-31-9 ACToR
    PD100598 ProbesDrugs
    499481 eMolecules
    The data in this table is sourced from UniChem at EBI.