Dataset

7-Diethylamino-4-methylcoumarin

This MassBank record with Accession MSBNK-Athens_Univ-AU248301 contains the MS2 mass spectrum of 7-Diethylamino-4-methylcoumarin with the InChIkey AFYCEAFSNDLKSX-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C14H17NO2/c1-4-15(5-2)11-6-7-12-10(3)8-14(16)17-13(12)9-11/h6-9H,4-5H2,1-3H3
SMILES	CCN(CC)C1=CC=C2C(C)=CC(=O)OC2=C1
InChI Key	AFYCEAFSNDLKSX-UHFFFAOYSA-N
Molecular Formula	C14H17NO2
Exact Mass	231.126 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU248301
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T10:12:13.037528
MetadataModified	2025-02-08T19:11:47.444926
MetadataPublished	2019-04-05

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL315348	ChEMBL
51938	ChEBI
50078833	BindingDB
CB6875499	ChemicalBook
DIETHYLAMINOMETHYLCOUMARIN	rxnorm
J48.490C	Nikkaji
ZINC000000057145	ZINC
6ZW	PDBe
DTXSID9025035	EPA CompTox Dashboard
DAMCOU	CCDC
CB5681196	ChemicalBook
MCULE-4011126778	Mcule
75430	NMRShiftDB
11118-21-1	ACToR
12651-35-3	ACToR
SCHEMBL67108	SureChEMBL
1SFJ7F6R2C	FDA SRS
259472	Brenda
7050	PubChem
15121665	PubChem: Thomson Pharma
537720	eMolecules
The data in this table is sourced from UniChem at EBI.