Dataset

3,5-Diacetamidobenzoic acid; LC-ESI-QTOF; MS2; 90 V

This MassBank record with Accession MSBNK-BAFG-CSL2311109102 contains the MS2 mass spectrum of 3,5-Diacetamidobenzoic acid with the InChIkey GEDTXYBZWNEYAB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H12N2O4/c1-6(14)12-9-3-8(11(16)17)4-10(5-9)13-7(2)15/h3-5H,1-2H3,(H,12,14)(H,13,15)(H,16,17)
SMILES CC(=O)NC1=CC(=CC(=C1)C(=O)O)NC(=O)C
InChI Key GEDTXYBZWNEYAB-UHFFFAOYSA-N
Molecular Formula C11H12N2O4
Exact Mass 236.080 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311109102
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Author
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MetadataPublished 2023-11-10
Related Molecule
  • 3,5-diacetamidobenzoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-8688675087 Mcule
    49351 PubChem
    SCHEMBL2735596 SureChEMBL
    1012506 eMolecules
    7743-39-7 ACToR
    DTXSID2064789 EPA CompTox Dashboard
    ZINC000000393864 ZINC
    WHS48E2MRA FDA SRS
    J326.540D Nikkaji
    The data in this table is sourced from UniChem at EBI.