Dataset

2,4-Dimethylaniline

This MassBank record with Accession MSBNK-Keio_Univ-KO002808 contains the MS2 mass spectrum of 2,4-Dimethylaniline with the InChIkey CZZZABOKJQXEBO-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3
SMILES	Cc(c1)cc(C)c(N)c1
InChI Key	CZZZABOKJQXEBO-UHFFFAOYSA-N
Molecular Formula	C8H11N
Exact Mass	121.089 g/mol

Data and Resources

2,4-DimethylanilineHTML
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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-Keio_Univ-KO002808
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T17:26:16.341830
MetadataModified	2025-02-09T14:31:01.608835
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL1490826	ChEMBL
27840	ChEBI
C11003	KEGG Ligand
51S	PDBe
DTXSID8026305	EPA CompTox Dashboard
74411	BindingDB
J358A	Nikkaji
7323	Brenda
ZINC000000900690	ZINC
CB7278882	ChemicalBook
165072	Brenda
18714	Brenda
10023585	NMRShiftDB
MCULE-3376745916	Mcule
7250	PubChem
SCHEMBL33980	SureChEMBL
95-68-1	ACToR
15297143	PubChem: Thomson Pharma
367R1L22C9	FDA SRS
490998	eMolecules
The data in this table is sourced from UniChem at EBI.