Dataset

Dichlorophen

This MassBank record with Accession MSBNK-Athens_Univ-AU237559 contains the MS2 mass spectrum of Dichlorophen with the InChIkey MDNWOSOZYLHTCG-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2
SMILES	OC1=CC=C(Cl)C=C1CC1=C(O)C=CC(Cl)=C1
InChI Key	MDNWOSOZYLHTCG-UHFFFAOYSA-N
Molecular Formula	C13H10Cl2O2
Exact Mass	268.006 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU237559
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:48:00.539771
MetadataModified	2024-01-11T09:48:00.711064
MetadataPublished	2019-03-29

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL33845	ChEMBL
C14292	KEGG Ligand
DICHLOROPHEN	rxnorm
HY-12638	MedChemExpress
34689	ChEBI
DTXSID6021824	EPA CompTox Dashboard
863	DrugCentral
50303912	BindingDB
J4.946H	Nikkaji
HMDB0251200	Human Metabolome Database
ZZZJKK	CCDC
ZINC000000056435	ZINC
CB9111491	ChemicalBook
DB11396	DrugBank
21831	Brenda
12505	Brenda
125361	Brenda
155630	Brenda
8017-86-5	ACToR
SCHEMBL18052	SureChEMBL
1322-43-6	ACToR
JAL	PDBe
LSM-25663	LINCS
T1J0JOU64O	FDA SRS
PD001712	ProbesDrugs
97-23-4	ACToR
3037	PubChem
15343810	PubChem: Thomson Pharma
480752	eMolecules
MCULE-2962145672	Mcule
The data in this table is sourced from UniChem at EBI.