NMR: Unique Strengths That Enhance Modern Metabolomics Research

Ion-pairing chromatography and amine derivatization provide complementary approaches for the targeted UPLC-MS analysis of the polar metabolome

“…Known interferences from In-source fragments were included in the workflow used for peak annotation (e.g., but not limited to, ATP for ADP signal, UDP-glucose for UDP, adenosine for adenine, malate for fumarate, citrulline for ornithine, etc.). RSDs were calculated using …… Metabolite profiling by 1 H NMR was carried out using a Bruker Avance DRX600 spectrometer, operating at 600 MHz and equipped with a 5mm inverse probe. Samples were introduced using a SampleJet autosampler; they were cooled at 4 °C before acquisition and kept at 25 °C during acquisition.…”

“…There are many approaches to metabolite profiling, but the vast majority of published papers use either nuclear magnetic resonance (NMR) spectroscopy or mass spectrometry (MS) as analytical platforms. 1 H NMR is most commonly used to analyze complex mixtures directly; MS is frequently hyphenated to a separation technique, of which the two most common are gas and liquid chromatography (GC and LC). All of these techniques have their own specific advantages and disadvantages: NMR is unmatched as a universal and quantitative untargeted detector, [1][2][3] but the high mass requirement means that it is generally limited to detection of the highest concentration metabolites only.…”

“…1 H NMR is most commonly used to analyze complex mixtures directly; MS is frequently hyphenated to a separation technique, of which the two most common are gas and liquid chromatography (GC and LC). All of these techniques have their own specific advantages and disadvantages: NMR is unmatched as a universal and quantitative untargeted detector, [1][2][3] but the high mass requirement means that it is generally limited to detection of the highest concentration metabolites only. GC is the most natural separation partner to MS, as the analytes are already in the gas phase in the separation step, and furthermore it offers excellent chromatographic performance; but it is generally necessary to derivatize metabolites to make them volatile, and it is limited in its coverage of key metabolite groups.…”

Challenges in Studying Stem Cell Metabolism

“…Global metabolic profiling with NMR has facilitated metabolic characterization of PSCs during differentiation (Moussaieff et al, 2015). A major benefit of using NMR is that sample preparation is simple, and in some cases metabolite extraction not necessary, which aids in minimizing variability across samples (Edison et al, 2021). In fact, high-resolution magic angle spinning (HR-MAS) NMR has been used to analyze intact stem cells, positioning this technology as an attractive non-destructive approach to study stem cell metabolism (Elena-Herrmann et al, 2020;Shi et al, 2008).…”

Ion-pairing chromatography and amine derivatization provide complementary approaches for the targeted UPLC-MS analysis of the polar metabolome

“…1 H NMR is most commonly used to analyze complex mixtures directly; MS is frequently hyphenated to a separation technique, of which the two most common are gas and liquid chromatography (GC and LC). All of these techniques have their own specific advantages and disadvantages: NMR is unmatched as a universal and quantitative untargeted detector, [1][2][3] but the high mass requirement means that it is generally limited to detection of the highest concentration metabolites only. GC is the most natural separation partner to MS, as the analytes are already in the gas phase in the separation step, and furthermore it offers excellent chromatographic performance; but it is generally necessary to derivatize metabolites to make them volatile, and it is limited in its coverage of key metabolite groups.…”