ACCESSION: MSBNK-EPA-ENTACT_AGILENT000099
RECORD_TITLE: N-Vinyl-2-pyrrolidone; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: N-Vinyl-2-pyrrolidone
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₉NO
CH$EXACT_MASS: 111.0684139168
CH$SMILES: C=CN1CCCC1=O
CH$IUPAC: InChI=1S/C6H9NO/c1-2-7-5-3-4-6(7)8/h2H,1,3-5H2
CH$LINK: CAS 88-12-0
CH$LINK: INCHIKEY WHNWPMSKXPGLAX-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:6917

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$FOCUSED_ION: PRECURSOR_M/Z 112.0756903685
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-000f-9000000000-a80bc2005f0353dfce52
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  38.015101 1.396863 13
  39.022927 71.0249 709
  40.018175 1.208355 12
  41.026001 3.180803 31
  41.038577 99.999999 999
  42.033826 3.155104 31
  44.01309 1.077012 10
  44.049476 6.225424 62
  54.033826 2.244728 22
  56.049476 8.853338 88
  67.041651 2.130364 21
  68.049476 2.51415 25
  69.033491 3.364235 33
//