Department of Internal Medicine, Division of Nephrology, University of Michigan, 5309 Brehm Center, 1000 Wall Street, Ann Arbor, MI, 48105, USA.
Department of Pathology, University of Michigan, 1301 Catherine Street, Ann Arbor, MI, 48109, USA.
Anal Bioanal Chem. 2018 May;410(12):2865-2877. doi: 10.1007/s00216-018-0978-x. Epub 2018 Mar 12.
Metabolomics applications of differential mobility spectrometry (DMS)-mass spectrometry (MS) have largely concentrated on targeted assays and the removal of isobaric or chemical interferences from the signals of a small number of analytes. In the work reported here, we systematically investigated the application range of a DMS-MS method for metabolomics using more than 800 authentic metabolite standards as the test set. The coverage achieved with the DMS-MS platform was comparable to that achieved with chromatographic methods. High orthogonality was observed between hydrophilic interaction liquid chromatography and the 2-propanol-mediated DMS separation, and previously observed similarities were confirmed for the DMS platform and reversed-phase liquid chromatography. We describe the chemical selectivity observed for selected subsets of the metabolite test set, such as lipids, amino acids, nucleotides, and organic acids. Furthermore, we rationalize the behavior and separation of isomeric aromatic acids, bile acids, and other metabolites. Graphical abstract Differential mobility spectrometry-mass spectrometry (DMS-MS) facilitates rapid separation of metabolites of similar mass-to-charge ratio by distributing them across the compensation voltage range on the basis of their different molecular structures.
差分式离子迁移谱-质谱联用（DMS-MS）在代谢组学中的应用主要集中在靶向分析上，以及从小部分分析物的信号中去除同重离子或化学干扰。在本报告中，我们使用 800 多种真实代谢物标准品作为测试集，系统地研究了 DMS-MS 方法在代谢组学中的应用范围。DMS-MS 平台的覆盖率与色谱方法相当。亲水作用液相色谱和 2-丙醇介导的 DMS 分离之间具有高度正交性，并且对于 DMS 平台和反相液相色谱观察到了之前观察到的相似性。我们描述了针对代谢物测试集的选定子集（例如脂质、氨基酸、核苷酸和有机酸）观察到的化学选择性。此外，我们还解释了同系芳香酸、胆汁酸和其他代谢物的行为和分离。示意图 差分式离子迁移谱-质谱联用（DMS-MS）通过根据不同的分子结构将具有相似质荷比的代谢物分布在补偿电压范围内，从而实现快速分离。
