Dataset

n-phenylpropanamide; LC-ESI-QTOF; MS2; CE: 21.9 eV; R=30000-60000; [M+H]+

This MassBank record with Accession MSBNK-UvA_IBED-UI000801 contains the MS2 mass spectrum of n-phenylpropanamide with the InChIkey ZTHRQJQJODGZHV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H11NO/c1-2-9(11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11)
SMILES CCC(=O)NC1=CC=CC=C1
InChI Key ZTHRQJQJODGZHV-UHFFFAOYSA-N
Molecular Formula C9H11NO
Exact Mass 149.084 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-UvA_IBED-UI000801
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MetadataPublished 2024-08-27
Related Molecule
  • N-phenylpropanamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1870645 chembl
    9706 surechembl
    12107 pubchem
    UYP5ZQI00T fdasrs
    HMDB0255232 hmdb
    Molport-000-137-939 molport
    The data in this table is sourced from UniChem at EBI.