Dataset

Desphenyl chloridazon; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF412602 contains the MS2 mass spectrum of Desphenyl chloridazon with the InChIkey FEWPCPCEGBPTAL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C4H4ClN3O/c5-3-2(6)1-7-8-4(3)9/h1H,(H3,6,8,9)
SMILES NC1=C(Cl)C(=O)NN=C1
InChI Key FEWPCPCEGBPTAL-UHFFFAOYSA-N
Molecular Formula C4H4ClN3O
Exact Mass 145.004 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-UFZ-UF412602
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MetadataPublished 2017-01-05
Related Molecule
  • 4-amino-5-chloro-1H-pyridazin-6-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:83479 chebi
    11704753 surechembl
    95827 pubchem
    43F7SZ79PP fdasrs
    Molport-003-811-813 molport
    Molport-006-393-540 molport
    The data in this table is sourced from UniChem at EBI.