Dataset

Benzamide; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01074402 contains the MS2 mass spectrum of Benzamide with the InChIkey KXDAEFPNCMNJSK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
SMILES C1=CC=C(C=C1)C(=O)N
InChI Key KXDAEFPNCMNJSK-UHFFFAOYSA-N
Molecular Formula C7H7NO
Exact Mass 121.053 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-EQ01074402
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MetadataPublished 2024-06-14
Related Molecule
  • benzamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:28179 chebi
    UNU rcsb_pdb
    CHEMBL267373 chembl
    16352 surechembl
    30081945 surechembl
    2331 pubchem
    6X80438640 fdasrs
    PD015403 probes_and_drugs
    BZAMID CCDC
    105483 brenda
    1408 brenda
    186732 brenda
    221833 brenda
    97448 brenda
    UNU - Ideal conformer pdbe
    HMDB0004461 hmdb
    Molport-001-497-861 molport
    50106187 bindingdb
    The data in this table is sourced from UniChem at EBI.