Metabolomics applications

Wishart, D. S. (2008). Metabolomics Application to food science and nutrition research. 

The high-resolution power of capillary electrophoresis-mass spectrometry (CE-MS) makes it a powerful technique for the separation and analysis of charged metabolites however, only a few metabolomics applications have been published to date. Polypeptide fraction isolated from urine or plasma was analyzed by CE-MS and used to discriminate between coronary artery... 

Using this isotope labeling approach, metabolites in human plasma have been quantified (38) and altered metabolites have been detected in urine that are due to metabolic disorders such as tyrosinemia type II, argininosuccinic aciduria, homocystinuria, and phenylketonuria (20). Most recently, a smart isotope tag, 15N-cholamine, has been developed for effective detection of the same metabolites using both NMR and MS methods. This approach maximizes the combined strengths of two powerful analytical techniques for a variety of metabolomics applications. 15N-cholamine possesses dual characteristics an NMR-sensitive heteronuclear isotope with good chemical shift dispersion and a permanent charge that improves MS sensitivity (48). 

Cuperlovic-Culf M, Barnett DA, Culf AS, Chute I (2010) Cell culture metabolomics applications and future directions. Drug Discov Today 15(15-16) 610-621... 

Fourier transform ion cyclotron mass spectrometry (FT-ICR-MS) instrumentation offers excellent sensitivity, accuracy (<1 ppm), and high mass resolution (>1,000,000) (Table 10.2). However, because of being too expensive, difficult to use, and not compatible with conventional HPLC columns and flow rates, FTMS has not been frequently used in pharmaceutical research. This changed with an introduction of a hybrid instrument consisting of a linear ion-trap mass spectrometer compatible with LC and an ion-cyclotron-resonance (ICR) detector. Such a hybrid instrument is compatible with conventional HPLC and allows for acquisition of accurate mass data-dependent MS" spectra. Sanders et al. [128] recently reviewed the utility of hybrid LTQ-FTMS for drug metabolism and metabonomics applications while Brown et al. [129] reviewed the metabolomics applications of FT-ICR-MS. 

Brown SC, et al. Metabolomics applications of FT-ICR mass spectrometry. Mass Spectrom Rev 2005 24 223-231. 

Martin EP, Collino S, Rezzi S, Kochhar S. Metabolomic applications to decipher gut microbial metabolic mfluence in health and disease. 

The instrument manufacturers often imply that accurate mass measurements (and therefore elemental composition determinations) are a single measurement solution to many structural problems. This is an oversimplification. A recent report, stemming from a metabolomics application, presents data that highly accurate mass measurements, even at sub-1 ppm accuracy, are insufficient to identify metabolites.Isotopic abundance pattern analysis is a necessary additional constraint to eliminate false elemental composition candidates. 

NMR-BASE METABOLOMICS APPLICATIONS 3.1 Food Quality Control... 

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