Lu Wenyun, Bennett Bryson D, Rabinowitz Joshua D
Lewis-Sigler Institute for Integrative Genomics and Department of Chemistry, Princeton University, Princeton, NJ 08544, USA.
J Chromatogr B Analyt Technol Biomed Life Sci. 2008 Aug 15;871(2):236-42. doi: 10.1016/j.jchromb.2008.04.031. Epub 2008 Apr 29.
Recent advances in mass spectrometry are enabling improved analysis of endogenous metabolites. Here we discuss several issues relevant to developing liquid chromatography-electrospray ionization-mass spectrometry methods for targeted metabolomics (i.e., quantitative analysis of dozens to hundreds of specific metabolites). Sample preparation and liquid chromatography approaches are discussed, with an eye towards the challenge of dealing with a diversity of metabolite classes in parallel. Evidence is presented that heated electrospray ionization (ESI) generally gives improved signal compared to the more traditional unheated ESI. Applicability to targeted metabolomics of triple quadrupole mass spectrometry operating in multiple reaction monitoring (MRM) mode and high mass resolution full scan mass spectrometry (e.g., time-of-flight, Orbitrap) are described. We suggest that both are viable solutions, with MRM preferred when targeting a more limited number of analytes, and full scan preferred for its potential ability to bridge targeted and untargeted metabolomics.
质谱技术的最新进展使得对内源性代谢物的分析得到改进。在此，我们讨论与开发用于靶向代谢组学（即对数十至数百种特定代谢物进行定量分析）的液相色谱 - 电喷雾电离 - 质谱方法相关的几个问题。讨论了样品制备和液相色谱方法，着眼于并行处理多种代谢物类别的挑战。有证据表明，与更传统的未加热电喷雾电离相比，加热电喷雾电离（ESI）通常能提供更好的信号。描述了在多反应监测（MRM）模式下运行的三重四极杆质谱和高质量分辨率全扫描质谱（如飞行时间质谱、轨道阱质谱）在靶向代谢组学中的适用性。我们认为两者都是可行的解决方案，当靶向分析物数量较少时，MRM更受青睐，而全扫描因其在连接靶向和非靶向代谢组学方面的潜在能力而更受青睐。
