Dataset

Mebendazole; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU106403 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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU106403
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Author
Maintainer
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MetadataPublished 2015-09-22
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
    V95 pdbe
    13427 gtopdb
    PD001898 probes_and_drugs
    SIYTED CCDC
    77383 brenda
    HMDB0014781 hmdb
    DTXSID4040682 comptox
    NCT00116493 clinicaltrials
    NCT00116493 clinicaltrials
    NCT00148629 clinicaltrials
    NCT01173562 clinicaltrials
    NCT01314937 clinicaltrials
    NCT01327469 clinicaltrials
    NCT01327469 clinicaltrials
    NCT01327469 clinicaltrials
    NCT01350271 clinicaltrials
    NCT01379326 clinicaltrials
    NCT01729260 clinicaltrials
    NCT01837862 clinicaltrials
    NCT02034162 clinicaltrials
    NCT02051738 clinicaltrials
    NCT02385058 clinicaltrials
    NCT02644291 clinicaltrials
    NCT03245398 clinicaltrials
    NCT03261596 clinicaltrials
    NCT03278431 clinicaltrials
    NCT03757403 clinicaltrials
    NCT03925662 clinicaltrials
    NCT03995680 clinicaltrials
    Molport-000-765-625 molport
    Molport-001-889-615 molport
    50180753 bindingdb
    The data in this table is sourced from UniChem at EBI.