Fenaille François, Barbier Saint-Hilaire Pierre, Rousseau Kathleen, Junot Christophe
Service de Pharmacologie et Immuno-Analyse (SPI), Laboratoire d'Etude du Métabolisme des Médicaments, CEA, INRA, Université Paris Saclay, MetaboHUB, F-91191 Gif-sur-Yvette, France.
Service de Pharmacologie et Immuno-Analyse (SPI), CEA, INRA, Université Paris Saclay, MetaboHUB, F-91191 Gif-sur-Yvette, France.
J Chromatogr A. 2017 Dec 1;1526:1-12. doi: 10.1016/j.chroma.2017.10.043. Epub 2017 Oct 18.
Typical mass spectrometry (MS) based untargeted metabolomics protocols are tedious as well as time- and sample-consuming. In particular, they often rely on "full-scan-only" analyses using liquid chromatography (LC) coupled to high resolution mass spectrometry (HRMS) from which metabolites of interest are first highlighted, and then tentatively identified by using targeted MS/MS experiments. However, this situation is evolving with the emergence of integrated HRMS based-data acquisition protocols able to perform multi-event acquisitions. Most of these protocols, referring to as data dependent and data independent acquisition (DDA and DIA, respectively), have been initially developed for proteomic applications and have recently demonstrated their applicability to biomedical studies. In this context, the aim of this article is to take stock of the progress made in the field of DDA- and DIA-based protocols, and evaluate their ability to change conventional metabolomic and lipidomic data acquisition workflows, through a review of HRMS instrumentation, DDA and DIA workflows, and also associated informatics tools.
典型的基于质谱（MS）的非靶向代谢组学方案既繁琐又耗时、耗样。特别是，它们通常依赖于使用液相色谱（LC）与高分辨率质谱（HRMS）联用的“仅全扫描”分析，首先从中突出感兴趣的代谢物，然后通过靶向MS/MS实验进行初步鉴定。然而，随着能够执行多事件采集的基于HRMS的集成数据采集方案的出现，这种情况正在发生变化。这些方案大多分别称为数据依赖型和数据独立型采集（DDA和DIA），最初是为蛋白质组学应用而开发的，最近已证明它们在生物医学研究中的适用性。在此背景下，本文的目的是通过回顾HRMS仪器、DDA和DIA工作流程以及相关信息学工具，总结基于DDA和DIA的方案在该领域取得的进展，并评估它们改变传统代谢组学和脂质组学数据采集工作流程的能力。
