Dataset

2,6-Dichlorobenzamide

This MassBank record with Accession MSBNK-Athens_Univ-AU337404 contains the MS2 mass spectrum of 2,6-Dichlorobenzamide with the InChIkey JHSPCUHPSIUQRB-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)
SMILES	NC(=O)C1=C(Cl)C=CC=C1Cl
InChI Key	JHSPCUHPSIUQRB-UHFFFAOYSA-N
Molecular Formula	C7H5Cl2NO
Exact Mass	188.975 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-Athens_Univ-AU337404
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:49:38.320996
MetadataModified	2024-01-11T09:49:38.471188
MetadataPublished	2015-12-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
16183	PubChem
16238858	PubChem: Thomson Pharma
SCHEMBL320037	SureChEMBL
2008-58-4	ACToR
J29.504C	Nikkaji
CHEMBL3184754	ChEMBL
ECUKUJ	CCDC
E9JWF529EB	FDA SRS
20039609	NMRShiftDB
CB5272558	ChemicalBook
145225	Brenda
MTBLC28435	Metabolights
198554	Brenda
ZINC000000156529	ZINC
MCULE-3690540095	Mcule
DTXSID7022170	EPA CompTox Dashboard
C10934	KEGG Ligand
28435	ChEBI
501406	eMolecules
The data in this table is sourced from UniChem at EBI.