Dataset

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

This MassBank record with Accession MSBNK-Athens_Univ-AU108405 contains the MS2 mass spectrum of Ethopabate with the InChIkey GOVWOKSKFSBNGD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H15NO4/c1-4-17-11-7-9(13-8(2)14)5-6-10(11)12(15)16-3/h5-7H,4H2,1-3H3,(H,13,14)
SMILES CCOc1cc(ccc1C(=O)OC)NC(=O)C
InChI Key GOVWOKSKFSBNGD-UHFFFAOYSA-N
Molecular Formula C12H15NO4
Exact Mass 237.100 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-Athens_Univ-AU108405
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Author
Maintainer
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MetadataPublished 2015-09-22
Related Molecule
  • methyl 4-acetamido-2-ethoxybenzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:183844 chebi
    CHEMBL458769 chembl
    29625103 surechembl
    540932 surechembl
    6034 pubchem
    F4X3L6068O fdasrs
    PD000421 probes_and_drugs
    GAVQEA CCDC
    Molport-003-666-679 molport
    5536 drugcentral
    50240106 bindingdb
    The data in this table is sourced from UniChem at EBI.