Waters Corporation, Milford, MA, 01757, USA.
Biomolecular Medicine, Division of Computational and Systems Medicine, Department of Surgery and Cancer, Imperial College London, Sir Alexander Fleming Building, Exhibition Road, South Kensington, London SW7 2AZ, UK.
Anal Chim Acta. 2017 Aug 22;982:1-8. doi: 10.1016/j.aca.2017.06.020. Epub 2017 Jun 19.
The need for rapid and efficient high throughput metabolic phenotyping (metabotyping) in metabolomic/metabonomic studies often requires compromises to be made between analytical speed and metabolome coverage. Here the effect of column length (150, 75 and 30 mm) and gradient duration (15, 7.5 and 3 min respectively) on the number of features detected when untargeted metabolic profiling of human urine using reversed-phase gradient ultra performance chromatography with, and without, ion mobility spectrometry, has been examined. As would be expected, reducing column length from 150 to 30 mm, and gradient duration, from 15 to 3 min, resulted in a reduction in peak capacity from 311 to 63 and a similar reduction in the number of features detected from over ca. 16,000 to ca. 6500. Under the same chromatographic conditions employing UPLC/IMS/MS to provide an additional orthogonal separation resulted in an increase in the number of MS features detected to nearly 20,000 and ca. 7500 for the 150 mm and the 30 mm columns respectively. Based on this limited study the potential of LC/IMS/MS as a tool for improving throughput and increasing metabolome coverage clearly merits further in depth study.
在代谢组学/代谢组学研究中，快速而高效的高通量代谢表型分析（代谢分型）的需求常常需要在分析速度和代谢组覆盖范围之间做出妥协。本文研究了反相梯度超高效色谱法与离子淌度质谱联用（或不联用）时，柱长（150、75 和 30mm）和梯度时间（分别为 15、7.5 和 3min）对人尿非靶向代谢轮廓分析中检测到的特征数量的影响。正如预期的那样，将柱长从 150mm 缩短至 30mm，梯度时间从 15min 缩短至 3min，导致峰容量从 311 减少至 63，检测到的特征数量也从约 16000 减少至约 6500。在相同的色谱条件下，采用 UPLC/IMS/MS 进行额外的正交分离，可使 MS 特征数量分别增加到近 20000 和约 6500，用于 150mm 和 30mm 柱。基于这项有限的研究，LC/IMS/MS 作为提高通量和增加代谢组覆盖范围的工具的潜力显然值得进一步深入研究。
