ACCESSION: MSBNK-BAFG-CSL2311094565
RECORD_TITLE: Levetiracetam; LC-ESI-QTOF; MS2; 40 V
DATE: 2023.11.09
AUTHORS: Kevin S. Jewell; Björn Ehlig; Arne Wick
LICENSE: dl-de/by-2-0
COPYRIGHT: Copyright 2023 Federal Institute of Hydrology, Koblenz, Germany
COMMENT: CONFIDENCE Reference Standard (Level 1)
COMMENT: Chromatography method: dx.doi.org/10.1016/j.chroma.2015.11.014
COMMENT: Acquisition method: 10.1002/rcm.8541

CH$NAME: Levetiracetam
CH$COMPOUND_CLASS: Pharmaceutical
CH$FORMULA: C₈H₁₄N₂O₂
CH$EXACT_MASS: 170.1055
CH$SMILES: CC[C@@H](N1CCCC1=O)C(N)=O
CH$IUPAC: InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m1/s1
CH$LINK: CAS 102767-28-2
CH$LINK: INCHIKEY HPHUVLMMVZITSG-ZCFIWIBFSA-N

AC$INSTRUMENT: TripleTOF 5600 SCIEX
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: COLUMN_NAME Zorbax Eclipse Plus C18 2.1 mm x 150 mm, 3.5 um, Agilent
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 °C
AC$CHROMATOGRAPHY: FLOW_GRADIENT 0 min min 98% A, 1 min 98% A, 2 min 80% A, 16.5 min 2% A, 22 min 2% A, 22.1 min 98% A, 27 min 98% A
AC$CHROMATOGRAPHY: FLOW_RATE 0.3 mL/min
AC$CHROMATOGRAPHY: RETENTION_TIME 5.137 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid

MS$FOCUSED_ION: PRECURSOR_M/Z 171.1128
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: COMMENT Export with Spectra 1.9.12 MsBackendMassbank 1.7.4
MS$DATA_PROCESSING: WHOLE RMassBank 2.3.1

PK$SPLASH: splash10-016r-9500000000-cdf44e90e5f129cd21f7
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  42.0449 0.5 10
  55.0591 1.9 41
  56.053 0.7 15
  58.0694 6.9 150
  68.0518 0.8 17
  69.0372 45.9 999
  69.0722 1.5 32
  70.07 2.4 52
  83.0756 0.6 13
  83.0883 0.6 13
  86.0642 0.7 15
  96.0822 0.8 17
  98.0629 1.9 41
  98.0966 9 195
  126.0915 44.3 964
//