ACCESSION: MSBNK-EPA-ENTACT_AGILENT001351
RECORD_TITLE: Nefiracetam; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Nefiracetam
CH$NAME: DTXSID2020923
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₈N₂O₂
CH$EXACT_MASS: 246.1368278336
CH$SMILES: CC1C=CC=C(C)C=1NC(=O)CN1CCCC1=O
CH$IUPAC: InChI=1S/C14H18N2O2/c1-10-5-3-6-11(2)14(10)15-12(17)9-16-8-4-7-13(16)18/h3,5-6H,4,7-9H2,1-2H3,(H,15,17)
CH$LINK: CAS 77191-36-7
CH$LINK: INCHIKEY NGHTXZCKLWZPGK-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:71157

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$FOCUSED_ION: PRECURSOR_M/Z 247.1441042853
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00dj-9000000000-3e3ff30968bef4747015
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  41.038577 14.3655 143
  42.033826 1.220781 12
  43.054227 8.976467 89
  68.049476 8.814357 88
  69.033491 44.428053 443
  70.065126 99.999998 999
  70.098831 2.495045 24
  70.110065 1.46085 14
  98.06004 99.758391 996
  98.096426 2.828205 28
  98.117555 1.333488 13
//