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
    CHEMBL72628 ChEMBL
    28747 ChEBI
    6PC PDBe
    C10164 KEGG Ligand
    PICOLINIC ACID rxnorm
    HY-I0660 MedChemExpress
    43200 Brenda
    DTXSID7031903 EPA CompTox Dashboard
    50000407 BindingDB
    J45.682I Nikkaji
    PICOLA CCDC
    ZINC000000039905 ZINC
    CB8196640 ChemicalBook
    145260 Brenda
    15921 Brenda
    HMDB0002243 Human Metabolome Database
    88358 Brenda
    43107 Brenda
    15627 Brenda
    4859 Brenda
    37841 Brenda
    43199 Brenda
    MTBLC28747 Metabolights
    1018 PubChem
    MCULE-1025041475 Mcule
    20198936 NMRShiftDB
    PD013856 ProbesDrugs
    DB05483 DrugBank
    QZV2W997JQ FDA SRS
    SCHEMBL35208 SureChEMBL
    14747589 PubChem: Thomson Pharma
    32075-31-3 ACToR
    88161-53-9 ACToR
    98-98-6 ACToR
    504010 eMolecules
    The data in this table is sourced from UniChem at EBI.