MassBank Record: MSBNK-EPA-ENTACT_AGILENT000099
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
//