Dataset

Chloridazone-methyl-desphenyl; LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EA069904 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 ClC(=C(C=N1)N)C(=O)N1C
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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EA069904
Version
Author
Maintainer
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MetadataPublished 2014-01-14
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
    CHEBI:83480 chebi
    7010722 surechembl
    594330 pubchem
    8Q5N4J5U8K fdasrs
    Molport-020-248-268 molport
    The data in this table is sourced from UniChem at EBI.