ACCESSION: MSBNK-EPA-ENTACT_AGILENT000069
RECORD_TITLE: 1-Octyl-2-pyrrolidone; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0006-9000000000-53a866c3f5856c166949
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  39.022927 1.838644 18
  41.038577 63.59822 635
  42.033826 1.123848 11
  43.054227 100.000001 999
  44.01309 31.535776 315
  44.049476 3.170945 31
  55.054227 3.212541 32
  57.069877 16.668805 166
  58.065126 1.588829 15
  68.049476 2.939375 29
  69.033491 28.103359 280
  86.06004 84.387523 843
  86.096426 1.746382 17
  86.109002 1.050604 10
//