Dataset

Ethyl 4-(dimethylamino)benzoate; LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+H]+

This MassBank record with Accession MSBNK-Antwerp_Univ-AN123204 contains the MS2 mass spectrum of Ethyl 4-(dimethylamino)benzoate with the InChIkey FZUGPQWGEGAKET-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H15NO2/c1-4-14-11(13)9-5-7-10(8-6-9)12(2)3/h5-8H,4H2,1-3H3
SMILES CCOC(=O)C1=CC=C(C=C1)N(C)C
InChI Key FZUGPQWGEGAKET-UHFFFAOYSA-N
Molecular Formula C11H15NO2
Exact Mass 193.110 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-Antwerp_Univ-AN123204
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MetadataPublished 2021-08-17
Related Molecule
  • ethyl 4-(dimethylamino)benzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DUNHIE CCDC
    CHEMBL3185245 ChEMBL
    ZINC000000163486 ZINC
    DTXSID2044763 EPA CompTox Dashboard
    J92.469E Nikkaji
    52073 ChEBI
    25127 PubChem
    10287-53-3 ACToR
    14772966 PubChem: Thomson Pharma
    829S8D3Y0X FDA SRS
    503555 eMolecules
    CB7314209 ChemicalBook
    SCHEMBL15425 SureChEMBL
    75718 NMRShiftDB
    MCULE-5159939046 Mcule
    The data in this table is sourced from UniChem at EBI.