ACCESSION: MSBNK-EPA-ENTACT_AGILENT001350
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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

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$SPLASH: splash10-006t-2890000000-18f2f92773679372532c
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  41.998537 1.525928 15
  43.018938 1.379274 13
  68.014187 2.892182 28
  84.045487 31.204418 311
  96.045487 1.133036 11
  120.081873 58.253927 581
  124.040402 17.694544 176
  146.061137 35.2848 352
  146.097523 1.312915 13
  177.103337 1.630462 16
  227.118987 14.493391 144
  245.129551 100 999
//