Dataset

Mebendazole; LC-ESI-QTOF; MS2; CE: Ramp 21.5-32.2 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU116401 contains the MS2 mass spectrum of Mebendazole with the InChIkey OPXLLQIJSORQAM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)
SMILES COC(=O)Nc1[nH]c2ccc(cc2n1)C(=O)c3ccccc3
InChI Key OPXLLQIJSORQAM-UHFFFAOYSA-N
Molecular Formula C16H13N3O3
Exact Mass 295.096 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-Athens_Univ-AU116401
Version
Author
Maintainer
Language
MetadataPublished 2015-07-05
Related Molecule
  • methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00643 drugbank
    CHEBI:6704 chebi
    V95 rcsb_pdb
    CHEMBL685 chembl
    15860 surechembl
    29390263 surechembl
    29409261 surechembl
    536464 surechembl
    4030 pubchem
    81G6I5V05I fdasrs
    13427 gtopdb
    PD001898 probes_and_drugs
    SIYTED CCDC
    77383 brenda
    HMDB0014781 hmdb
    Molport-000-765-625 molport
    Molport-001-889-615 molport
    50180753 bindingdb
    The data in this table is sourced from UniChem at EBI.