Dataset

Albendazole sulfone; LC-ESI-QFT; MS2; CE: 75; R=35000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ364755 contains the MS2 mass spectrum of Albendazole sulfone with the InChIkey CLSJYOLYMZNKJB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H15N3O4S/c1-3-6-20(17,18)8-4-5-9-10(7-8)14-11(13-9)15-12(16)19-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
SMILES CCCS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)NC(=O)OC
InChI Key CLSJYOLYMZNKJB-UHFFFAOYSA-N
Molecular Formula C12H15N3O4S
Exact Mass 297.078 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-Eawag-EQ364755
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MetadataPublished 2015-08-26
Related Molecule
  • methyl N-(6-propylsulfonyl-1H-benzimidazol-2-yl)carbamate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:80620 chebi
    CHEMBL1779650 chembl
    12684800 surechembl
    28144116 surechembl
    53174 pubchem
    1UIC88380G fdasrs
    PD164118 probes_and_drugs
    HMDB0060561 hmdb
    DTXSID00226167 comptox
    Molport-000-832-271 molport
    Molport-001-886-315 molport
    The data in this table is sourced from UniChem at EBI.