Dataset

Aniracetam; LC-ESI-QFT; MS2; CE: 90%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01164906 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-EQ01164906
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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
    DB04599 drugbank
    CHEBI:47943 chebi
    4MP rcsb_pdb
    CHEMBL36994 chembl
    70998 surechembl
    2196 pubchem
    5L16LKN964 fdasrs
    4MP - Ideal conformer pdbe
    4133 gtopdb
    PD001087 probes_and_drugs
    GIJVOK CCDC
    HMDB0248441 hmdb
    Molport-002-348-163 molport
    221 drugcentral
    The data in this table is sourced from UniChem at EBI.