Dataset

Chloridazone-methyl-desphenyl; LC-ESI-QTOF; MS2; 20 V

This MassBank record with Accession MSBNK-BAFG-CSL23111017861 contains the MS2 mass spectrum of Chloridazone-methyl-desphenyl with the InChIkey XNSGCNYTNLWRKM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C5H6ClN3O/c1-9-5(10)4(6)3(7)2-8-9/h2H,7H2,1H3
SMILES CN1C(=O)C(=C(C=N1)N)Cl
InChI Key XNSGCNYTNLWRKM-UHFFFAOYSA-N
Molecular Formula C5H6ClN3O
Exact Mass 159.020 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111017861
Version
Author
Maintainer
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MetadataPublished 2023-11-10
Related Molecule
  • 5-amino-4-chloro-2-methylpyridazin-3-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    17254-80-7 ACToR
    SCHEMBL7010722 SureChEMBL
    8Q5N4J5U8K FDA SRS
    36862052 eMolecules
    MTBLC83480 Metabolights
    ZINC000032197864 ZINC
    83480 ChEBI
    J591.441H Nikkaji
    DTXSID80891453 EPA CompTox Dashboard
    594330 PubChem
    The data in this table is sourced from UniChem at EBI.