Dataset

Mebendazole; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU106404 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-AU106404
Version
Author
Maintainer
Language
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
    CHEMBL685 ChEMBL
    6704 ChEBI
    MEBENDAZOLE DailyMed
    SIYTED CCDC
    VERMOX rxnorm
    MEBENDAZOLE rxnorm
    R 17,635 clinicaltrials
    R-17635 clinicaltrials
    VERMOX clinicaltrials
    HY-17595 MedChemExpress
    MEBENDAZOLE clinicaltrials
    MEBENDAZOLE POLYMORPH C clinicaltrials
    DTXSID4040682 EPA CompTox Dashboard
    1641 DrugCentral
    ZINC000000121541 ZINC
    J2.773A Nikkaji
    EMVERM rxnorm
    50180753 BindingDB
    SAM002548959 NIH Clinical Collection
    4030 PubChem
    144214057 PubChem: Thomson Pharma
    V95 PDBe
    PD001898 ProbesDrugs
    81G6I5V05I FDA SRS
    14898153 PubChem: Thomson Pharma
    31431-39-7 ACToR
    SCHEMBL15860 SureChEMBL
    PA164776669 PharmGKB
    LSM-3749 LINCS
    511302 eMolecules
    740153 eMolecules
    77383 Brenda
    HMDB0014781 Human Metabolome Database
    CB8700094 ChemicalBook
    mebendazole DailyMed
    MCULE-4133611535 Mcule
    The data in this table is sourced from UniChem at EBI.