ACCESSION: MSBNK-EPA-ENTACT_AGILENT000601
RECORD_TITLE: 1-Ethyl-2-pyrrolidinone; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1-Ethyl-2-pyrrolidinone
CH$NAME: DTXSID3044413
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₁NO
CH$EXACT_MASS: 113.0840639806
CH$SMILES: CCN1CCCC1=O
CH$IUPAC: InChI=1S/C6H11NO/c1-2-7-5-3-4-6(7)8/h2-5H2,1H3
CH$LINK: CAS 2687-91-4
CH$LINK: INCHIKEY ZFPGARUNNKGOBB-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:17595

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

MS$FOCUSED_ION: PRECURSOR_M/Z 114.0913404323
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-03di-1900000000-589ed9cb2fc68377ff92
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  44.01309 1.585726 15
  69.033491 2.177513 21
  86.06004 12.949772 129
  112.07569 1.531622 15
  114.09134 99.999997 999
//