Dataset

N-Methyl-2-pyrrolidone; LC-ESI-QTOF; MS2; CE: Ramp 14.4-21.6 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU277806 contains the MS2 mass spectrum of N-Methyl-2-pyrrolidone with the InChIkey SECXISVLQFMRJM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3
SMILES CN1CCCC1=O
InChI Key SECXISVLQFMRJM-UHFFFAOYSA-N
Molecular Formula C5H9NO
Exact Mass 99.068 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU277806
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MetadataPublished 2019-05-31
Related Molecule
  • 1-methylpyrrolidin-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB12521 drugbank
    CHEBI:7307 chebi
    MB3 rcsb_pdb
    CHEMBL12543 chembl
    487 surechembl
    5423326 surechembl
    13387 pubchem
    JR9CE63FPM fdasrs
    9520 gtopdb
    PD057995 probes_and_drugs
    62461 brenda
    Molport-002-317-275 molport
    50353587 bindingdb
    The data in this table is sourced from UniChem at EBI.