MassBank Record: MSBNK-EPA-ENTACT_AGILENT000097
ACCESSION: MSBNK-EPA-ENTACT_AGILENT000097
RECORD_TITLE: N-Vinyl-2-pyrrolidone; ESI-QTOF; MS2; CE: 20; [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$MASS_SPECTROMETRY: COLLISION_ENERGY 20
MS$FOCUSED_ION: PRECURSOR_M/Z 112.0756903685
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-00kf-9000000000-0f263bc87e41451238ad
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
39.022927 6.42105 64
41.038577 100.000002 999
42.033826 3.947496 39
43.054227 1.07995 10
44.049476 9.280169 92
56.049476 6.823417 68
67.054227 2.23759 22
69.033491 96.018655 959
69.069877 2.98671 29
82.065126 1.801502 17
84.080776 9.921282 99
112.07569 6.994487 69
//