Dataset

Flubendazole; LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ365906 contains the MS2 mass spectrum of Flubendazole with the InChIkey CPEUVMUXAHMANV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8H,1H3,(H2,18,19,20,22)
SMILES COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=C(C=C3)F
InChI Key CPEUVMUXAHMANV-UHFFFAOYSA-N
Molecular Formula C16H12FN3O3
Exact Mass 313.086 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-EQ365906
Version
Author
Maintainer
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MetadataPublished 2015-08-25
Related Molecule
  • methyl N-[6-(4-fluorobenzoyl)-1H-benzimidazol-2-yl]carbamate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB08974 drugbank
    CHEBI:77095 chebi
    CHEMBL1454946 chembl
    167185 surechembl
    29409278 surechembl
    31704404 surechembl
    6232065 surechembl
    35802 pubchem
    R8M46911LR fdasrs
    PD000634 probes_and_drugs
    PEZLUE CCDC
    HMDB0252324 hmdb
    DTXSID8023058 comptox
    Molport-003-847-386 molport
    Molport-005-933-571 molport
    The data in this table is sourced from UniChem at EBI.