Proton NMR chemical shifts and coupling constants for brain metabolites

Research output: Contribution to journalArticlepeer-review

1206 Scopus citations


Proton NMR chemical shift and J-coupling values are presented for 35 metabolites that can be detected by in vivo or in vitro NMR studies of mammalian brain. Measurements were obtained using high-field NMR spectra of metabolites in solution, under conditions typical for normal physiological temperature and pH. This information is presented with an accuracy that is suitable for computer simulation of metabolite spectra to be used as basis functions of a parametric spectral analysis procedure. This procedure is verified by the analysis of a rat brain extract spectrum, using the measured spectral parameters. In addition, the metabolite structures and example spectra are presented, and clinical applications and MR spectroscopic measurements of these metabolites are reviewed. Copyright (C) 2000 John Wiley and Sons, Ltd.

Original languageEnglish (US)
Pages (from-to)129-153
Number of pages25
JournalNMR in biomedicine
Issue number3
StatePublished - May 2000
Externally publishedYes


  • Brain metabolites
  • Chemical shifts
  • Coupling constants
  • In vivo
  • Nuclear magnetic resonance spectroscopy
  • Parametric spectral analysis
  • Proton
  • Review

ASJC Scopus subject areas

  • Spectroscopy
  • Radiology Nuclear Medicine and imaging
  • Radiological and Ultrasound Technology
  • Biophysics


Dive into the research topics of 'Proton NMR chemical shifts and coupling constants for brain metabolites'. Together they form a unique fingerprint.

Cite this