Lipidomics currently is still confronted with challenges from chromatographic separation and lipids identification. Here we report a lipidomics platform by integrating ultrahigh performance supercritical fluid chromatography/quadrupole time-of-flight mass spectrometry (UHPSFC/QTOF-MS) and collision cross section (CCS) measurement using ion mobility spectroscopy/time-of-flight mass spectrometry (IMS/QTOF-MS), aiming to enhance the profiling performance and identification reliability of lipids. The lipidomes extracted from three congeneric Panax species (P. ginseng, P. quinquefolius, and P. notoginseng) by methyl tert-butyl ether are comprehensively profiled and compared by use of this platform. A potent UHPSFC/QTOF-MS approach was developed on a 1.7-μm particles packed Torus 2-PIC column using CH₃OH (in CO₂) as a modifier and CH₃OH/0.2 mM ammonium acetate as the makeup liquid, enabling well resolution of six lipid subclasses by both positive and negative MS^E modes. In contrast to the reversed-phase chromatography, “normal-phase” like elution order and better resolution of polar lipids and some lipid isomers were achieved by UHPSFC separation. Pattern recognition chemometric analysis of 60 batches of Ginseng samples ultimately unveiled 24 lipid markers, of which triacylglycerols were the most important. Aside from the automated MS database searching against HMDB and LIPID MAPS, the application of CCS retrieval or CCS prediction improved lipid identification by reducing the possible hits. In conclusion, this integral platform can significantly improve the chromatographic separation and the reliability of lipids identification in lipidomics studies. It is the first report that systematically compares the lipidomic difference of three reputable Panax species, providing useful information for their quality control in addition to ginsenoside analysis.

脂质组学目前仍面临色谱分离和脂质鉴定的挑战。在这里，我们通过集成超高性能超临界流体色谱/四极杆飞行时间质谱仪（UHPSFC / QTOF-MS）和使用离子迁移谱/飞行时间质谱仪（CCS）测量碰撞截面（CCS）来报告脂质组学平台IMS / QTOF-MS），旨在增强脂质的分析性能和鉴定可靠性。从三个同类萃取lipidomes三七物种（P.人参，西洋参以及三七）由甲基叔使用该平台可以对丁醚进行全面分析和比较。使用CH ₃ OH（在CO _2中）作为改性剂，CH ₃ OH / 0.2 mM乙酸铵作为补充液，在1.7-μm颗粒填充Torus 2-PIC色谱柱上开发了一种有效的UHPSFC / QTOF-MS方法。MS ^E的阳性和阴性可分辨六种脂质亚类模式。与反相色谱相反，通过UHPSFC分离，可以实现“正相”洗脱顺序和极性脂质和某些脂质异构体的更好分离。对60批次人参样品的模式识别化学计量分析最终揭示了24种脂质标记物，其中三酰基甘油是最重要的。除了针对HMDB和LIPID MAPS的自动MS数据库搜索外，CCS检索或CCS预测的应用还通过减少可能的命中次数来改善脂质识别。总之，该集成平台可显着改善脂质组学研究中的色谱分离和脂质鉴定的可靠性。这是第一份系统地比较三种著名三七的脂质组学差异的报告 物种，除了人参皂苷分析外，还为质量控制提供了有用的信息。