Dataset

1-Methyl-2-pyrrolidone; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

This MassBank record with Accession MSBNK-Keio_Univ-KO003348 contains the MS2 mass spectrum of 1-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 CN(C1)C(=O)CC1
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-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Keio_Univ-KO003348
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
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.