ACCESSION: MSBNK-EPA-ENTACT_AGILENT000639
RECORD_TITLE: 1-Cyclohexylpyrrolidin-2-one; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1-Cyclohexylpyrrolidin-2-one
CH$NAME: DTXSID7044716
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₇NO
CH$EXACT_MASS: 167.131014172
CH$SMILES: O=C1CCCN1C1CCCCC1
CH$IUPAC: InChI=1S/C10H17NO/c12-10-7-4-8-11(10)9-5-2-1-3-6-9/h9H,1-8H2
CH$LINK: CAS 6837-24-7
CH$LINK: INCHIKEY PZYDAVFRVJXFHS-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:81278

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$FOCUSED_ION: PRECURSOR_M/Z 168.1382906237
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4u-9000000000-8f8b287e8ebc25ec9b9a
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  29.038577 1.439168 14
  39.022927 5.398105 53
  41.038577 28.900654 288
  42.033826 1.015767 10
  43.054227 8.495437 84
  44.01309 38.456235 384
  44.049476 3.112858 31
  45.033491 1.075536 10
  53.038577 2.652835 26
  55.054227 100.000002 999
  55.099165 1.491647 14
  68.049476 2.289927 22
  69.033491 18.240516 182
  83.085527 2.613342 26
  86.06004 68.518833 684
  86.096426 1.510177 15
//