ACCESSION: MSBNK-EPA-ENTACT_AGILENT000602
RECORD_TITLE: 1-Ethyl-2-pyrrolidinone; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0006-9000000000-75cd9ca224bf49b94a97
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  29.038577 3.815253 38
  39.022927 9.677826 96
  41.038577 37.367369 373
  42.033826 3.42087 34
  43.041651 1.840269 18
  43.054227 2.360492 23
  44.01309 100 999
  44.025666 2.225017 22
  44.049476 12.770053 127
  44.062052 1.078722 10
  45.033491 3.936965 39
  55.017841 1.828898 18
  55.054227 1.3061 13
  68.049476 4.697045 46
  69.033491 14.912506 148
  84.04439 2.042714 20
  86.06004 11.502464 114
  112.07569 1.307412 13
//