Dataset

Ethopabate; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-

This MassBank record with Accession MSBNK-Athens_Univ-AU108453 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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU108453
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MetadataPublished 2016-02-29
Related Molecule
  • methyl 4-acetamido-2-ethoxybenzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB1307306 ChemicalBook
    6034 PubChem
    PD000421 ProbesDrugs
    15069079 PubChem: Thomson Pharma
    SCHEMBL540932 SureChEMBL
    59-06-3 ACToR
    F4X3L6068O FDA SRS
    183844 ChEBI
    474360 eMolecules
    CHEMBL458769 ChEMBL
    ETHOPABATE rxnorm
    50240106 BindingDB
    HY-B2138 MedChemExpress
    GAVQEA CCDC
    ZINC000000001387 ZINC
    J4.596I Nikkaji
    DTXSID6046264 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.