Dataset

Aniracetam

This MassBank record with Accession MSBNK-Eawag-EQ01164904 contains the MS2 mass spectrum of Aniracetam with the InChIkey ZXNRTKGTQJPIJK-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C12H13NO3/c1-16-10-6-4-9(5-7-10)12(15)13-8-2-3-11(13)14/h4-7H,2-3,8H2,1H3
SMILES	COC1=CC=C(C=C1)C(=O)N2CCCC2=O
InChI Key	ZXNRTKGTQJPIJK-UHFFFAOYSA-N
Molecular Formula	C12H13NO3
Exact Mass	219.090 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01164904
Version
Author
Maintainer
Language
MetadataCreated	2025-02-09T09:57:26.633005
MetadataModified	2025-02-09T09:57:26.821975
MetadataPublished	2024-01-16
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CB6185499	ChemicalBook
2196	PubChem
PD001087	ProbesDrugs
5L16LKN964	FDA SRS
15195914	PubChem: Thomson Pharma
72432-10-1	ACToR
SCHEMBL70998	SureChEMBL
Aniracetam	Selleck
LSM-3969	LINCS
534826	eMolecules
ANIRACETAM	rxnorm
HY-10932	MedChemExpress
DTXSID5045128	EPA CompTox Dashboard
221	DrugCentral
GIJVOK	CCDC
4133	Guide to Pharmacology
J18.602C	Nikkaji
HMDB0248441	Human Metabolome Database
ZINC000000015951	ZINC
CHEMBL36994	ChEMBL
C13355	KEGG Ligand
47943	ChEBI
DB04599	DrugBank
4MP	PDBe
12012619	PubChem: Drugs of the Future
The data in this table is sourced from UniChem at EBI.