Dataset

Nalidixic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

This MassBank record with Accession MSBNK-Keio_Univ-KO003629 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 CCN(C=1)c(n2)c(ccc(C)2)C(=O)C(C(O)=O)1
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-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Keio_Univ-KO003629
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
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
    12773 gtopdb
    PD001597 probes_and_drugs
    NALIDX CCDC
    114048 brenda
    2148 brenda
    HMDB0014917 hmdb
    328072 bindingdb
    328868 bindingdb
    39230 bindingdb
    39235 bindingdb
    50001128 bindingdb
    50237876 bindingdb
    50559376 bindingdb
    50572657 bindingdb
    50773513 bindingdb
    50775166 bindingdb
    50775195 bindingdb
    50775547 bindingdb
    51150267 bindingdb
    51175420 bindingdb
    51175421 bindingdb
    51253192 bindingdb
    51483355 bindingdb
    51512119 bindingdb
    51512145 bindingdb
    Molport-001-769-233 molport
    1875 drugcentral
    The data in this table is sourced from UniChem at EBI.