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
    UYP5ZQI00T FDA SRS
    SCHEMBL9706 SureChEMBL
    620-71-3 ACToR
    14992184 PubChem: Thomson Pharma
    1060361 eMolecules
    12107 PubChem
    MCULE-9489768560 Mcule
    20209268 NMRShiftDB
    ZINC000000399967 ZINC
    CHEMBL1870645 ChEMBL
    DTXSID0060721 EPA CompTox Dashboard
    HMDB0255232 Human Metabolome Database
    CB3206021 ChemicalBook
    J6.825J Nikkaji
    The data in this table is sourced from UniChem at EBI.