Dataset

4-Chloropyridine 1-oxide; ESI-QTOF; MS2; CE: 40; [M+H]+

This MassBank record with Accession MSBNK-EPA-ENTACT_AGILENT002273 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_AGILENT002273
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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
    133666 surechembl
    70724 pubchem
    F3196UEB9Q fdasrs
    ZZZRKK CCDC
    DTXSID0041513 comptox
    Molport-001-779-839 molport
    Molport-006-151-164 molport
    The data in this table is sourced from UniChem at EBI.