Dataset

2,5-DICHLOROPHENOL

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000004 contains the MS mass spectrum of 2,5-DICHLOROPHENOL with the InChIkey RANCECPPZPIPNO-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
SMILES	Oc(c1)c(Cl)ccc(Cl)1
InChI Key	RANCECPPZPIPNO-UHFFFAOYSA-N
Molecular Formula	C6H4Cl2O
Exact Mass	161.964 g/mol

Data and Resources

2,5-DICHLOROPHENOLHTML
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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP000004
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:47:04.636844
MetadataModified	2025-02-09T12:09:07.208239
MetadataPublished	2016-01-19
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
C06602	KEGG Ligand
CHEMBL1565192	ChEMBL
DCLPOL	CCDC
DTXSID7025003	EPA CompTox Dashboard
J1.634I	Nikkaji
CB8853877	ChemicalBook
27929	ChEBI
500591	eMolecules
14748058	PubChem: Thomson Pharma
583-78-8	ACToR
66	PubChem
SCHEMBL177878	SureChEMBL
10015987	NMRShiftDB
MCULE-4265765893	Mcule
3B11G9AKBA	FDA SRS
9500	Brenda
MTBLC27929	Metabolights
HMDB0041800	Human Metabolome Database
ZINC000000388512	ZINC
The data in this table is sourced from UniChem at EBI.