Dataset

Flubendazole; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU106302 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[nH]c2ccc(cc2n1)C(=O)c3ccc(cc3)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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU106302
Version
Author
Maintainer
Language
MetadataPublished 2015-09-22
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
    CB2669630 ChemicalBook
    ZINC000003830847 ZINC
    77095 ChEBI
    35802 PubChem
    499473 eMolecules
    2724654 eMolecules
    PD000634 ProbesDrugs
    R8M46911LR FDA SRS
    15189547 PubChem: Thomson Pharma
    SCHEMBL167185 SureChEMBL
    31430-15-6 ACToR
    flubendazole-flutelmium Selleck
    LSM-5916 LINCS
    PEZLUE CCDC
    DB08974 DrugBank
    HMDB0252324 Human Metabolome Database
    1186 DrugCentral
    DTXSID8023058 EPA CompTox Dashboard
    J20.325D Nikkaji
    HY-B0294 MedChemExpress
    FLUBENDAZOLE rxnorm
    FLUBENDAZOLE DailyMed
    CHEMBL1454946 ChEMBL
    SAM001246685 NIH Clinical Collection
    12015477 PubChem: Drugs of the Future
    The data in this table is sourced from UniChem at EBI.