Dataset

N-Methyl-2-pyrrolidone

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 Info

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

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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
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T08:50:30.829979
MetadataModified	2025-02-08T19:04:18.821879
MetadataPublished	2019-05-31
Related Molecule

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.