Dataset

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

This MassBank record with Accession MSBNK-LCSB-LU020301 contains the MS2 mass spectrum of Benodanil with the InChIkey LJOZMWRYMKECFF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H10INO/c14-12-9-5-4-8-11(12)13(16)15-10-6-2-1-3-7-10/h1-9H,(H,15,16)
SMILES IC1=C(C=CC=C1)C(=O)NC1=CC=CC=C1
InChI Key LJOZMWRYMKECFF-UHFFFAOYSA-N
Molecular Formula C13H10INO
Exact Mass 322.981 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-LU020301
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MetadataPublished 2020-08-19
Related Molecule
  • 2-iodo-N-phenylbenzamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:82052 chebi
    BOL rcsb_pdb
    CHEMBL1357627 chembl
    18736 surechembl
    29402073 surechembl
    27195 pubchem
    993ANP6B3R fdasrs
    PD056651 probes_and_drugs
    JIMNAX CCDC
    217144 brenda
    217145 brenda
    Molport-001-838-400 molport
    The data in this table is sourced from UniChem at EBI.