Dataset

Oxfendazole; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+

This MassBank record with Accession MSBNK-LCSB-LU043801 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=NC2=C(N1)C=CC(=C2)S(=O)C1=CC=CC=C1
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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-LCSB-LU043801
Version
Author
Maintainer
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MetadataPublished 2020-08-19
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
    DB11446 drugbank
    CHEBI:35812 chebi
    CHEMBL42442 chembl
    29351297 surechembl
    29409244 surechembl
    44121 surechembl
    9818561 surechembl
    40854 pubchem
    OMP2H17F9E fdasrs
    PD000960 probes_and_drugs
    222691 brenda
    78352 brenda
    HMDB0031812 hmdb
    Molport-002-330-209 molport
    Molport-003-666-629 molport
    50300124 bindingdb
    The data in this table is sourced from UniChem at EBI.