ACCESSION: MSBNK-EPA-ENTACT_AGILENT001352
RECORD_TITLE: Nefiracetam; ESI-QTOF; MS2; CE: 10; [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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

MS$FOCUSED_ION: PRECURSOR_M/Z 245.1295513819
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0002-0090000000-71d3e949760870f8641f
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  84.045487 1.081564 10
  120.081873 3.522042 35
  124.040402 2.775176 27
  146.061137 2.055424 20
  227.118987 3.235019 32
  245.129551 99.999997 999
//