Dataset

Chloridazon

This MassBank record with Accession MSBNK-Eawag-EQ00008809 contains the MS2 mass spectrum of Chloridazon with the InChIkey WYKYKTKDBLFHCY-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2
SMILES	NC1=C(Cl)C(=O)N(N=C1)C1=CC=CC=C1
InChI Key	WYKYKTKDBLFHCY-UHFFFAOYSA-N
Molecular Formula	C10H8ClN3O
Exact Mass	221.036 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00008809
Version
Author
Maintainer
Language
MetadataCreated	2025-02-09T09:53:36.610862
MetadataModified	2025-02-09T09:53:36.783824
MetadataPublished	2024-06-14

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
MCULE-7993827795	Mcule
20233959	NMRShiftDB
CB7370108	ChemicalBook
CB23353633	ChemicalBook
509646	eMolecules
14749130	PubChem: Thomson Pharma
26X5RK7X7W	FDA SRS
SCHEMBL53824	SureChEMBL
1698-60-8	ACToR
15546	PubChem
PD115625	ProbesDrugs
CHEMBL1525705	ChEMBL
C18570	KEGG Ligand
PYRZON	CCDC
81838	ChEBI
J1.775B	Nikkaji
ZINC000000035807	ZINC
DTXSID3034872	EPA CompTox Dashboard
PYRAZON	rxnorm
The data in this table is sourced from UniChem at EBI.