Dataset

Chloridazon-methyl-desphenyl

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 Info

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
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:45:13.115535
MetadataModified 2024-01-11T09:45:13.285363
MetadataPublished 2015-12-04
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
594330 PubChem
ZINC000032197864 ZINC
MTBLC83480 Metabolights
DTXSID80891453 EPA CompTox Dashboard
83480 ChEBI
J591.441H Nikkaji
The data in this table is sourced from UniChem at EBI.