Dataset

Chloridazon-methyl-desphenyl; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU203705 contains the MS2 mass spectrum of Chloridazon-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 CN1N=CC(N)=C(Cl)C1=O
InChI Key XNSGCNYTNLWRKM-UHFFFAOYSA-N
Molecular Formula C5H6ClN3O
Exact Mass 159.020 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU203705
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MetadataPublished 2015-12-04
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.