Dataset

1,3-DICHLOROBENZENE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP004655 contains the MS mass spectrum of 1,3-DICHLOROBENZENE with the InChIkey ZPQOPVIELGIULI-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H
SMILES	Clc(c1)cc(Cl)cc1
InChI Key	ZPQOPVIELGIULI-UHFFFAOYSA-N
Molecular Formula	C6H4Cl2
Exact Mass	145.969 g/mol

Data and Resources

1,3-DICHLOROBENZENEHTML
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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-JP004655
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:55:11.975078
MetadataModified	2024-01-11T15:55:12.165920
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL45235	ChEMBL
36693	ChEBI
C19397	KEGG Ligand
478917	eMolecules
J2.641G	Nikkaji
CB2103493	ChemicalBook
ABUMOZ	CCDC
20096874	NMRShiftDB
10943	PubChem
15297414	PubChem: Thomson Pharma
SCHEMBL28140	SureChEMBL
75W0WNE5FP	FDA SRS
63697-17-6	ACToR
541-73-1	ACToR
PD124140	ProbesDrugs
ZINC000000388095	ZINC
DTXSID6022056	EPA CompTox Dashboard
MCULE-4362550696	Mcule
CB8853781	ChemicalBook
HMDB0059855	Human Metabolome Database
104171	Brenda
The data in this table is sourced from UniChem at EBI.