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
    C11118 KEGG Ligand
    MB3 PDBe
    CHEMBL12543 ChEMBL
    7307 ChEBI
    METHYLPYRROLIDONE clinicaltrials
    HY-Y1275 MedChemExpress
    DTXSID6020856 EPA CompTox Dashboard
    J26.033I Nikkaji
    50353587 BindingDB
    1-METHYL-2-PYRROLIDINONE rxnorm
    1-METHYLPYRROLIDONE clinicaltrials
    ZINC000003860621 ZINC
    CB21179345 ChemicalBook
    DB12521 DrugBank
    62461 Brenda
    CB2402488 ChemicalBook
    9520 Guide to Pharmacology
    13387 PubChem
    MCULE-1381506705 Mcule
    10008989 NMRShiftDB
    SCHEMBL487 SureChEMBL
    PD057995 ProbesDrugs
    N-METHYLPYRROLIDONE clinicaltrials
    JR9CE63FPM FDA SRS
    14747410 PubChem: Thomson Pharma
    26138-58-9 ACToR
    30207-69-3 ACToR
    872-50-4 ACToR
    51013-18-4 ACToR
    484001 eMolecules
    The data in this table is sourced from UniChem at EBI.