Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C5H4ClNO/c6-5-1-3-7(8)4-2-5/h1-4H
SMILES [O-][n+]1ccc(cc1)Cl
InChI Key DPJVRASYWYOFSJ-UHFFFAOYSA-N
Molecular Formula C5H4ClNO
Exact Mass 129.544 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DPJVRASYWYOFSJ-UHFFFAOYSA-N/Mass.1
License URL
Source https://www.chemotion-repository.net/inchikey/DPJVRASYWYOFSJ-UHFFFAOYSA-N/Mass.1
Version
Author Hannes Kühner
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-02-05
Related Molecule
  • 4-chloro-1-oxidopyridin-1-ium
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL3186776 ChEMBL
    J7.265F Nikkaji
    DTXSID0041513 EPA CompTox Dashboard
    ZZZRKK CCDC
    ZINC000000407058 ZINC
    CB5232071 ChemicalBook
    1121-76-2 ACToR
    16213985 PubChem: Thomson Pharma
    F3196UEB9Q FDA SRS
    SCHEMBL133666 SureChEMBL
    490336 eMolecules
    70724 PubChem
    The data in this table is sourced from UniChem at EBI.