Dataset

Nalidixic acid; LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-

This MassBank record with Accession MSBNK-LCSB-LU084051 contains the MS2 mass spectrum of Nalidixic acid with the InChIkey MHWLWQUZZRMNGJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)
SMILES CCN1C=C(C(O)=O)C(=O)C2=C1N=C(C)C=C2
InChI Key MHWLWQUZZRMNGJ-UHFFFAOYSA-N
Molecular Formula C12H12N2O3
Exact Mass 232.085 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-LCSB-LU084051
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MetadataPublished 2020-08-19
Related Molecule
  • 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00779 drugbank
    CHEBI:100147 chebi
    NIX rcsb_pdb
    CHEMBL5 chembl
    21736 surechembl
    29367723 surechembl
    4421 pubchem
    3B91HWA56M fdasrs
    NIX - Ideal conformer pdbe
    12773 gtopdb
    PD001597 probes_and_drugs
    NALIDX CCDC
    114048 brenda
    2148 brenda
    HMDB0014917 hmdb
    Molport-001-769-233 molport
    1875 drugcentral
    21691 bindingdb
    The data in this table is sourced from UniChem at EBI.