Dataset

4-Carboxy-9-acridanone; LC-ESI-QTOF; MS2; 80 V

This MassBank record with Accession MSBNK-BAFG-CSL2311093777 contains the MS2 mass spectrum of 4-Carboxy-9-acridanone with the InChIkey BATAOFZEDHPRTM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H9NO3/c16-13-8-4-1-2-7-11(8)15-12-9(13)5-3-6-10(12)14(17)18/h1-7H,(H,15,16)(H,17,18)
SMILES c1ccc2c(c1)c(=O)c3cccc(c3[nH]2)C(=O)O
InChI Key BATAOFZEDHPRTM-UHFFFAOYSA-N
Molecular Formula C14H9NO3
Exact Mass 239.058 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311093777
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MetadataPublished 2023-11-09
Related Molecule
  • 9-oxo-10H-acridine-4-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL4943278 SureChEMBL
    ZINC000004521064 ZINC
    CB8499774 ChemicalBook
    520156 eMolecules
    3560758 PubChem
    16227652 PubChem: Thomson Pharma
    CHEMBL541514 ChEMBL
    MCULE-8913775666 Mcule
    DAHKAB CCDC
    DTXSID00393641 EPA CompTox Dashboard
    J1.321.173F Nikkaji
    The data in this table is sourced from UniChem at EBI.