This review focuses on metabolomics from an NMR point of view. It attempts to cover the broad scope of metabolomics and describes the NMR experiments that are most suitable for each sample type. It is addressed not only to NMR specialists, but to all researchers who wish to approach metabolomics with a clear idea of what they wish to achieve but not necessarily with a deep knowledge of NMR. For this reason, some technical parts may seem a bit naïve to the experts. The review starts by describing standard metabolomics procedures, which imply the use of a dedicated 600 MHz instrument and of four properly standardized 1D experiments. Standardization is a must if one wants to directly compare NMR results obtained in different labs. A brief mention is also made of standardized pre-analytical procedures, which are even more essential. Attention is paid to the distinction between fingerprinting and profiling, and the advantages and disadvantages of fingerprinting are clarified. This aspect is often not fully appreciated. Then profiling, and the associated problems of signal assignment and quantitation, are discussed. We also describe less conventional approaches, such as the use of different magnetic fields, the use of signal enhancement techniques to increase sensitivity, and the potential of field-shuttling NMR. A few examples of biomedical applications are also given, again with the focus on NMR techniques that are most suitable to achieve each particular goal, including a description of the most common heteronuclear experiments. Finally, the growing applications of metabolomics to foodstuffs are described.

本综述重点关注 NMR 角度的代谢组学。它试图涵盖代谢组学的广泛范围，并描述最适合每种样品类型的 NMR 实验。它不仅适用于 NMR 专家，也适用于所有希望研究代谢组学且清楚地了解自己希望实现的目标但不一定对 NMR 有深入了解的研究人员。因此，某些技术部分对于专家来说可能显得有些幼稚。审查首先描述标准代谢组学程序，这意味着使用专用的 600 MHz 仪器和四个适当标准化的一维实验。如果想要直接比较不同实验室获得的 NMR 结果，标准化是必须的。还简要提及了更为重要的标准化预分析程序。重点关注指纹识别和分析的区别，明确指纹识别的优缺点。这方面往往没有得到充分认识。然后讨论分析以及信号分配和定量的相关问题。我们还描述了不太传统的方法，例如使用不同的磁场、使用信号增强技术来提高灵敏度以及场穿梭核磁共振的潜力。还给出了一些生物医学应用的例子，同样重点关注最适合实现每个特定目标的 NMR 技术，包括最常见的异核实验的描述。最后，描述了代谢组学在食品中日益增长的应用。