Dataset

Benodanil; LC-ESI-QFT; MS2; CE: 120%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01120607 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 C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2I
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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01120607
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Maintainer
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MetadataPublished 2023-04-27
Related Molecule
  • 2-iodo-N-phenylbenzamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    JIMNAX CCDC
    ZINC000000061524 ZINC
    J9.997J Nikkaji
    CB9379271 ChemicalBook
    DTXSID7041623 EPA CompTox Dashboard
    C18907 KEGG Ligand
    BOL PDBe
    CHEMBL1357627 ChEMBL
    27195 PubChem
    PD056651 ProbesDrugs
    993ANP6B3R FDA SRS
    16585621 PubChem: Thomson Pharma
    15310-01-7 ACToR
    82052 ChEBI
    SCHEMBL18736 SureChEMBL
    509554 eMolecules
    MCULE-6478095492 Mcule
    217144 Brenda
    The data in this table is sourced from UniChem at EBI.