Dataset

2,4-Dimethylaniline; LC-ESI-QFT; MS2; CE: 180%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01132609 contains the MS2 mass spectrum of 2,4-Dimethylaniline with the InChIkey CZZZABOKJQXEBO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3
SMILES CC1=CC(=C(C=C1)N)C
InChI Key CZZZABOKJQXEBO-UHFFFAOYSA-N
Molecular Formula C8H11N
Exact Mass 121.089 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-EQ01132609
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MetadataPublished 2023-04-27
Related Molecule
  • 2,4-dimethylaniline
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:27840 chebi
    51S rcsb_pdb
    CHEMBL1490826 chembl
    29366708 surechembl
    33980 surechembl
    7250 pubchem
    367R1L22C9 fdasrs
    165072 brenda
    18714 brenda
    7323 brenda
    51S - Ideal conformer pdbe
    Molport-000-871-525 molport
    74411 bindingdb
    The data in this table is sourced from UniChem at EBI.