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Extraction and derivatization
  • Gullberg J, Jonsson P, Nordström A, Sjöström M, Moritz T (2004) Design of experiments: an efficient strategy to identify factors influencing extraction and derivatization of Arabidopsis thaliana samples in metabolomic studies with gas chromatography/mass spectrometry. Anal Biochem 331: 283-295.
  • A, J.; Trygg, J.; Gullberg.; Johansson, A.I.; Jonsson, P.; Antti, A.; Marklund, S.L.; Moritz, T.  Extraction and GC/MS analysis of the human blood plasma metabolome.  Anal. Chem.  2005, 77, 8086-8094.

Data processing H-MCR
  • Jonsson P, Gullberg J, Nordström A, Kusano M, Kowalczyk M, Sjöström M, Moritz T (2004) A strategy for identifying differences in large series of metabolomic samples analyzed by GC/MS. Anal Chem 76: 1738-1745
  • Jonsson P, Johansson AI, Gullberg J, Trygg J, A J, Grung B, Marklund S, Sjöström M, Antti H, Moritz T (2005) High-throughput data analysis for detecting and identifying differences between samples in GC/MS-based metabolomic analyses. Anal Chem 77: 5635-5642
  • Jonsson P, Johansson ES, Wuolikainen A, Lindberg J, Schuppe-Koistinen I, Kusano M, Sjöström M, Trygg J, Moritz T, Antti H (2006) Predictive metabolite profiling applying hierarchical multivariate curve resolution to GC-MS data - A potential tool for multi-parametric diagnosis. J Prot Res 5: 1407-1414


Mass spectra library identification

  • Schauer N, Steinhauser D, Strelkov S, Schomburg D, Allison G, Moritz T, Lundgren K, Roessner-Tunali U, Forbes MG, Willmitzer L, Fernie AR, Kopka J (2005) GC-MS libraries for the rapid identification of metabolites in complex biological samples. Febs Letters 579: 1332-1337

Multivariate analysis

  • Trygg J, Gullberg J, Johansson AI, Jonsson P, Moritz T (2006) Chemometrics in metabolomics-An introduction. In Plant metabolomics (Ed Saito K, Dixon RA, Willmitzer L) Spinger-Verlag.
Trygg J, Holmes E, Lundstedt T (2007) Chemometrics in metabonomics. J Proteome Res 6: 469-479

 
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