ACCESSION: MSBNK-EPA-ENTACT_AGILENT001354
RECORD_TITLE: Nefiracetam; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-0002-9100000000-360a762a130b84592bf4
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  69.033491 1.62661 16
  70.065126 6.218577 62
  98.06004 99.999996 999
  98.096426 3.914172 39
  98.117555 1.985836 19
  126.054955 12.837999 128
//