Dataset

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

This MassBank record with Accession MSBNK-Athens_Univ-AU105802 contains the MS2 mass spectrum of Albendazole with the InChIkey HXHWSAZORRCQMX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
SMILES CCCSC1=CC2=C(NC(NC(=O)OC)=N2)C=C1
InChI Key HXHWSAZORRCQMX-UHFFFAOYSA-N
Molecular Formula C12H15N3O2S
Exact Mass 265.088 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-AU105802
Version
Author
Maintainer
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MetadataPublished 2019-05-30
Related Molecule
  • methyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00518 drugbank
    CHEBI:16664 chebi
    CHEMBL1483 chembl
    247151 surechembl
    29409236 surechembl
    31704207 surechembl
    44682 surechembl
    2082 pubchem
    F4216019LN fdasrs
    PD000815 probes_and_drugs
    BOGFUZ CCDC
    143835 brenda
    3447 brenda
    HMDB0014659 hmdb
    Molport-000-726-929 molport
    Molport-000-760-571 molport
    Molport-001-932-918 molport
    50241293 bindingdb
    The data in this table is sourced from UniChem at EBI.