Dataset

Chloridazon

This MassBank record with Accession MSBNK-Waters-WA000062 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	NC(C=2)=C(Cl)C(=O)N(N2)c(c1)cccc1
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-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000062
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:49:36.255049
MetadataModified	2024-01-11T22:49:36.414328
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

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