Dataset

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

This MassBank record with Accession MSBNK-Athens_Univ-AU106502 contains the MS2 mass spectrum of Oxfendazole with the InChIkey BEZZFPOZAYTVHN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H13N3O3S/c1-21-15(19)18-14-16-12-8-7-11(9-13(12)17-14)22(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)
SMILES COC(=O)Nc1[nH]c2ccc(cc2n1)S(=O)c3ccccc3
InChI Key BEZZFPOZAYTVHN-UHFFFAOYSA-N
Molecular Formula C15H13N3O3S
Exact Mass 315.068 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-AU106502
Version
Author
Maintainer
Language
MetadataPublished 2015-09-22
Related Molecule
  • methyl N-[6-(benzenesulfinyl)-1H-benzimidazol-2-yl]carbamate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB4105143 ChemicalBook
    DB11446 DrugBank
    35812 Rhea
    78352 Brenda
    MCULE-2247044354 Mcule
    40854 PubChem
    PD000960 ProbesDrugs
    LSM-1466 LINCS
    14899079 PubChem: Thomson Pharma
    SCHEMBL44121 SureChEMBL
    oxfendazole Selleck
    16668179 PubChem: Thomson Pharma
    53716-50-0 ACToR
    5852394 eMolecules
    902248 eMolecules
    50300124 BindingDB
    OXFENDAZOLE rxnorm
    SYNANTHIC rxnorm
    RS-8858 clinicaltrials
    OXFENDAZOLE clinicaltrials
    J10.835I Nikkaji
    HY-B0291 MedChemExpress
    OMP2H17F9E FDA SRS
    DTXSID9044112 EPA CompTox Dashboard
    SYNANTHIC clinicaltrials
    222691 Brenda
    HMDB0031812 Human Metabolome Database
    22395238 PubChem: Drugs of the Future
    35812 ChEBI
    CHEMBL42442 ChEMBL
    The data in this table is sourced from UniChem at EBI.