Dataset

4-CHLOROANILINE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP010815 contains the MS mass spectrum of 4-CHLOROANILINE with the InChIkey QSNSCYSYFYORTR-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
SMILES	Nc(c1)ccc(Cl)c1
InChI Key	QSNSCYSYFYORTR-UHFFFAOYSA-N
Molecular Formula	C6H6ClN
Exact Mass	127.019 g/mol

Data and Resources

4-CHLOROANILINEHTML
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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-JP010815
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:55:04.391424
MetadataModified	2024-01-11T15:55:04.553332
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CLANIC	CCDC
ZINC000000403225	ZINC
DTXSID9020295	EPA CompTox Dashboard
3602	Brenda
106955	Brenda
104981	Brenda
50235880	BindingDB
CB8147309	ChemicalBook
Z553SGH315	FDA SRS
14891497	PubChem: Thomson Pharma
SCHEMBL27544	SureChEMBL
106-47-8	ACToR
MCULE-6515849225	Mcule
J4.034G	Nikkaji
HMDB0246391	Human Metabolome Database
20331	ChEBI
7812	PubChem
10005685	NMRShiftDB
CHEMBL15888	ChEMBL
C14450	KEGG Ligand
490444	eMolecules
The data in this table is sourced from UniChem at EBI.