Dataset

4-(Diethylamino)benzaldehyde; LC-ESI-QFT; MS2; CE: 120%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01061607 contains the MS2 mass spectrum of 4-(Diethylamino)benzaldehyde with the InChIkey MNFZZNNFORDXSV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H15NO/c1-3-12(4-2)11-7-5-10(9-13)6-8-11/h5-9H,3-4H2,1-2H3
SMILES CCN(CC)C1=CC=C(C=C1)C=O
InChI Key MNFZZNNFORDXSV-UHFFFAOYSA-N
Molecular Formula C11H15NO
Exact Mass 177.115 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-EQ01061607
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MetadataPublished 2024-06-14
Related Molecule
  • 4-(diethylamino)benzaldehyde
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:86194 chebi
    3W9 rcsb_pdb
    CHEMBL3416563 chembl
    195135 surechembl
    67114 pubchem
    S640XWL10H fdasrs
    PD016366 probes_and_drugs
    142681 brenda
    174584 brenda
    25821 brenda
    259557 brenda
    3W9 - Ideal conformer pdbe
    HMDB0246302 hmdb
    Molport-000-871-211 molport
    50076742 bindingdb
    The data in this table is sourced from UniChem at EBI.