Dataset

Albendazole sulfone; LC-ESI-Q; MS; POS; 30 V

This MassBank record with Accession MSBNK-Waters-WA001747 contains the MS 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-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001747
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Maintainer
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MetadataPublished 2016-01-19
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
    C16626 KEGG Ligand
    CHEMBL1779650 ChEMBL
    J69.194A Nikkaji
    HY-W019773 MedChemExpress
    DTXSID00226167 EPA CompTox Dashboard
    CB2165637 ChemicalBook
    80620 ChEBI
    HMDB0060561 Human Metabolome Database
    ZINC000005424275 ZINC
    MCULE-2129114149 Mcule
    SCHEMBL12684800 SureChEMBL
    14873613 PubChem: Thomson Pharma
    53174 PubChem
    75184-71-3 ACToR
    PD164118 ProbesDrugs
    1UIC88380G FDA SRS
    1201276 eMolecules
    The data in this table is sourced from UniChem at EBI.