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
Version
Author
Maintainer
Language
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
    MCULE-2690467469 Mcule
    10150434 eMolecules
    36862054 eMolecules
    6339-19-1 ACToR
    95827 PubChem
    SCHEMBL11704753 SureChEMBL
    MTBLC83479 Metabolights
    CB8289793 ChemicalBook
    43F7SZ79PP FDA SRS
    DTXSID50212792 EPA CompTox Dashboard
    J2.872.993F Nikkaji
    83479 ChEBI
    ZINC000017300623 ZINC
    The data in this table is sourced from UniChem at EBI.