Dataset

Aniracetam; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01164901 contains the MS2 mass spectrum of Aniracetam with the InChIkey ZXNRTKGTQJPIJK-UHFFFAOYSA-N.

Chemical Information

molecular Image
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

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01164901
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MetadataPublished 2024-01-16
Related Molecule
  • 1-(4-methoxybenzoyl)pyrrolidin-2-one
    • 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.