Dataset

1-VINYLPYRROLIDINE-2-ONE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP012059 contains the MS mass spectrum of 1-VINYLPYRROLIDINE-2-ONE with the InChIkey WHNWPMSKXPGLAX-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C6H9NO/c1-2-7-5-3-4-6(7)8/h2H,1,3-5H2
SMILES	C=CN(C1)C(=O)CC1
InChI Key	WHNWPMSKXPGLAX-UHFFFAOYSA-N
Molecular Formula	C6H9NO
Exact Mass	111.068 g/mol

Data and Resources

1-VINYLPYRROLIDINE-2-ONEHTML
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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP012059
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:56:45.164414
MetadataModified	2024-01-11T15:56:45.349845
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL1878943	ChEMBL
C19548	KEGG Ligand
490514	eMolecules
ZINC000003590964	ZINC
DTXSID2021440	EPA CompTox Dashboard
82551	ChEBI
MAWLAA	CCDC
1-VINYL-2-PYRROLIDONE	rxnorm
CB3272024	ChemicalBook
CB0744957	ChemicalBook
14747487	PubChem: Thomson Pharma
6917	PubChem
153631-60-8	ACToR
76H9G81541	FDA SRS
88-12-0	ACToR
25249-54-1	ACToR
9003-39-8	ACToR
PD014071	ProbesDrugs
HMDB0255245	Human Metabolome Database
J36.503C	Nikkaji
MCULE-3025814103	Mcule
20036222	NMRShiftDB
SCHEMBL10869	SureChEMBL
The data in this table is sourced from UniChem at EBI.