LipidQuant 1.0: Automated data processing in lipid class separation - mass spectrometry quantitative workflows

We present the LipidQuant 1.0 tool for automated data processing workflows in lipidomic quantitation based on lipid class separation coupled with high-resolution mass spectrometry. Lipid class separation workflows, such as hydrophilic interaction liquid chromatography or supercritical fluid chromatography, should be preferred in lipidomic quantitation due to the coionization of lipid class internal standards with analytes from the same class. The individual steps in the LipidQuant workflow are explained, including lipid identification, quantitation, isotopic correction, and reporting results. We show the application of LipidQuant data processing to a small cohort of human serum samples.

本研究提出LipidQuant 1.0工具，用于基于脂质类分离联用高分辨质谱（high-resolution mass spectrometry）的脂质组学定量自动化数据处理流程。鉴于同类别脂质的内标物与对应分析物可发生共电离，脂质组学定量分析中优先采用基于脂质类分离的工作流程，例如亲水相互作用液相色谱法（hydrophilic interaction liquid chromatography）或超临界流体色谱法（supercritical fluid chromatography）。本文详细阐释了LipidQuant流程的各个环节，涵盖脂质鉴定、定量分析、同位素校正及结果报告。本研究还展示了LipidQuant数据处理工具在一组小型人类血清样本队列中的应用情况。