Dataset

Phenylethylmalonamide; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU249905 contains the MS2 mass spectrum of Phenylethylmalonamide with the InChIkey JFZHPFOXAAIUMB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H14N2O2/c1-2-11(9(12)14,10(13)15)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,12,14)(H2,13,15)
SMILES CCC(C(N)=O)(C(N)=O)C1=CC=CC=C1
InChI Key JFZHPFOXAAIUMB-UHFFFAOYSA-N
Molecular Formula C11H14N2O2
Exact Mass 206.106 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-Athens_Univ-AU249905
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MetadataPublished 2019-04-08
Related Molecule
  • 2-ethyl-2-phenylpropanediamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL249467 ChEMBL
    C07499 KEGG Ligand
    8097 ChEBI
    67CFD7341W FDA SRS
    HMDB0245113 Human Metabolome Database
    DTXSID3025885 EPA CompTox Dashboard
    J125.795A Nikkaji
    MCULE-5438826634 Mcule
    CB3122121 ChemicalBook
    717362 eMolecules
    ZINC000000406972 ZINC
    20208758 NMRShiftDB
    23611 PubChem
    PD160373 ProbesDrugs
    7206-76-0 ACToR
    15018087 PubChem: Thomson Pharma
    80866-90-6 ACToR
    SCHEMBL341785 SureChEMBL
    80147-40-6 ACToR
    The data in this table is sourced from UniChem at EBI.