Dataset

Albendazole Sulfoxide; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU106005 contains the MS2 mass spectrum of Albendazole Sulfoxide with the InChIkey VXTGHWHFYNYFFV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H15N3O3S/c1-3-6-19(17)8-4-5-9-10(7-8)14-11(13-9)15-12(16)18-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
SMILES CCCS(=O)c1ccc2c(c1)nc([nH]2)NC(=O)OC
InChI Key VXTGHWHFYNYFFV-UHFFFAOYSA-N
Molecular Formula C12H15N3O3S
Exact Mass 281.083 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-AU106005
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MetadataPublished 2015-09-22
Related Molecule
  • methyl N-(6-propylsulfinyl-1H-benzimidazol-2-yl)carbamate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB3319817 ChemicalBook
    HMDB0059609 Human Metabolome Database
    16959 Rhea
    12421 Brenda
    DB13871 DrugBank
    15344552 PubChem: Thomson Pharma
    16602051 PubChem: Thomson Pharma
    83969 PubChem
    70108811 NMRShiftDB
    PD011076 ProbesDrugs
    122063-18-7 ACToR
    SCHEMBL321413 SureChEMBL
    albendazole-oxide-ricobendazole Selleck
    2725457 eMolecules
    5749713 eMolecules
    C02809 KEGG Ligand
    16959 ChEBI
    CHEMBL1665 ChEMBL
    J33.174K Nikkaji
    104 DrugCentral
    DTXSID4057768 EPA CompTox Dashboard
    J39B52TV34 FDA SRS
    HY-12785 MedChemExpress
    The data in this table is sourced from UniChem at EBI.