Dataset

2,6-DI-CARBOXY-PYRIDINE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP011486 contains the MS mass spectrum of 2,6-DI-CARBOXY-PYRIDINE with the InChIkey WJJMNDUMQPNECX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
SMILES OC(=O)c(c1)nc(cc1)C(O)=O
InChI Key WJJMNDUMQPNECX-UHFFFAOYSA-N
Molecular Formula C7H5NO4
Exact Mass 167.022 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-Fac_Eng_Univ_Tokyo-JP011486
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • pyridine-2,6-dicarboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    PD006352 ProbesDrugs
    10367 PubChem
    15141025 PubChem: Thomson Pharma
    499-83-2 ACToR
    UE81S5CQ0G FDA SRS
    475045 eMolecules
    MTBLC46837 Metabolights
    90869 Brenda
    12301 Brenda
    151183 Brenda
    8376 Brenda
    118533 Brenda
    55903 Brenda
    29346 Brenda
    107142 Brenda
    1443 Brenda
    153200 Brenda
    4005 Brenda
    HMDB0033161 Human Metabolome Database
    CB1457234 ChemicalBook
    20031196 NMRShiftDB
    SCHEMBL34595 SureChEMBL
    MCULE-1484050836 Mcule
    CHEMBL284104 ChEMBL
    46837 ChEBI
    DB04267 DrugBank
    PDC PDBe
    26116 BindingDB
    AFEBUI CCDC
    J6.184K Nikkaji
    ZINC000000105246 ZINC
    44748 Brenda
    DTXSID7022043 EPA CompTox Dashboard
    227810 Brenda
    7433 Brenda
    The data in this table is sourced from UniChem at EBI.