Dataset

4-Chloropyridine 1-oxide; ESI-QTOF; MS2; CE: 20; [M+H]+

This MassBank record with Accession MSBNK-EPA-ENTACT_AGILENT002275 contains the MS2 mass spectrum of 4-Chloropyridine 1-oxide with the InChIkey DPJVRASYWYOFSJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C5H4ClNO/c6-5-1-3-7(8)4-2-5/h1-4H
SMILES [O-][N+]1C=CC(Cl)=CC=1
InChI Key DPJVRASYWYOFSJ-UHFFFAOYSA-N
Molecular Formula C5H4ClNO
Exact Mass 128.998 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-EPA-ENTACT_AGILENT002275
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MetadataPublished 2023-09-19
Related Molecule
  • 4-chloro-1-oxidopyridin-1-ium
    • Field Value
    Measurement Technique liquid chromatography-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.