Dataset

Dichlobenil

This MassBank record with Accession MSBNK-Eawag-EQ00008405 contains the MS2 mass spectrum of Dichlobenil with the InChIkey YOYAIZYFCNQIRF-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
SMILES	ClC1=CC=CC(Cl)=C1C#N
InChI Key	YOYAIZYFCNQIRF-UHFFFAOYSA-N
Molecular Formula	C7H3Cl2N
Exact Mass	170.964 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-EQ00008405
Version
Author
Maintainer
Language
MetadataCreated	2025-02-09T09:26:46.399441
MetadataModified	2025-02-09T09:26:46.626498
MetadataPublished	2024-06-14
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
943	ChEBI
C11040	KEGG Ligand
HMDB0245512	Human Metabolome Database
FUQJEG	CCDC
ZINC000000157318	ZINC
DTXSID5032365	EPA CompTox Dashboard
J3.365K	Nikkaji
37993	Brenda
CHEMBL3039332	ChEMBL
3031	PubChem
LSM-19017	LINCS
N42NR4196R	FDA SRS
1194-65-6	ACToR
104809-79-2	ACToR
14867520	PubChem: Thomson Pharma
500429	eMolecules
CB4159964	ChemicalBook
MCULE-1360009724	Mcule
20040	NMRShiftDB
SCHEMBL55606	SureChEMBL
The data in this table is sourced from UniChem at EBI.