ACCESSION: MSBNK-EPA-ENTACT_AGILENT000068
RECORD_TITLE: 1-Octyl-2-pyrrolidone; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1-Octyl-2-pyrrolidone
CH$NAME: DTXSID4036435
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₃NO
CH$EXACT_MASS: 197.1779643634
CH$SMILES: CCCCCCCCN1CCCC1=O
CH$IUPAC: InChI=1S/C12H23NO/c1-2-3-4-5-6-7-10-13-11-8-9-12(13)14/h2-11H2,1H3
CH$LINK: CAS 2687-94-7
CH$LINK: INCHIKEY WPPOGHDFAVQKLN-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:3033871

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$FOCUSED_ION: PRECURSOR_M/Z 198.1852408151
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-000b-9500000000-26af95f4c4e66ec8ba65
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  41.038577 4.974575 49
  43.054227 22.423174 224
  44.01309 2.182766 21
  57.069877 18.887424 188
  69.033491 5.411327 54
  71.085527 8.917932 89
  86.06004 99.882605 997
  86.096426 2.275662 22
  86.109002 1.137625 11
  114.09134 1.212009 12
  128.10699 1.234 12
  198.185241 100.000001 999
//