ACCESSION: MSBNK-EPA-ENTACT_AGILENT000603
RECORD_TITLE: 1-Ethyl-2-pyrrolidinone; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-03dr-9500000000-c42e1f1c32be70b0594e
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  41.038577 9.628 96
  43.054227 10.449717 104
  44.01309 26.230453 262
  55.054227 1.502399 15
  68.049476 3.086342 30
  69.033491 29.873599 298
  84.04439 1.317557 13
  86.06004 99.821369 997
  86.096426 1.424701 14
  112.07569 3.100626 30
  114.09134 100.000002 999
//