Dataset

Fluralaner; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01159302 contains the MS2 mass spectrum of Fluralaner with the InChIkey MLBZKOGAMRTSKP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H17Cl2F6N3O3/c1-11-4-12(2-3-16(11)19(35)31-9-18(34)32-10-21(25,26)27)17-8-20(36-33-17,22(28,29)30)13-5-14(23)7-15(24)6-13/h2-7H,8-10H2,1H3,(H,31,35)(H,32,34)
SMILES CC1=C(C=CC(=C1)C2=NOC(C2)(C3=CC(=CC(=C3)Cl)Cl)C(F)(F)F)C(=O)NCC(=O)NCC(F)(F)F
InChI Key MLBZKOGAMRTSKP-UHFFFAOYSA-N
Molecular Formula C22H17Cl2F6N3O3
Exact Mass 555.055 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01159302
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MetadataPublished 2024-01-16
Related Molecule
  • 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB11414 drugbank
    CHEBI:233405 chebi
    CHEMBL2364610 chembl
    121934 surechembl
    29362559 surechembl
    25144319 pubchem
    WSH8393RM5 fdasrs
    PD060861 probes_and_drugs
    HMDB0252406 hmdb
    Molport-046-417-173 molport
    5547 drugcentral
    The data in this table is sourced from UniChem at EBI.