Dataset

Picolinic acid; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00682 contains the MS2 mass spectrum of Picolinic acid with the InChIkey SIOXPEMLGUPBBT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)
SMILES OC(=O)c(c1)nccc1
InChI Key SIOXPEMLGUPBBT-UHFFFAOYSA-N
Molecular Formula C6H5NO2
Exact Mass 123.032 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00682
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MetadataPublished 2016-01-19
Related Molecule
  • pyridine-2-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB05483 drugbank
    CHEBI:28747 chebi
    6PC rcsb_pdb
    CHEMBL72628 chembl
    29368665 surechembl
    36055 surechembl
    1018 pubchem
    QZV2W997JQ fdasrs
    PD013856 probes_and_drugs
    PICOLA CCDC
    145260 brenda
    15627 brenda
    15921 brenda
    37841 brenda
    43107 brenda
    43199 brenda
    43200 brenda
    4859 brenda
    88358 brenda
    HMDB0002243 hmdb
    Molport-000-142-269 molport
    50000407 bindingdb
    The data in this table is sourced from UniChem at EBI.