An ion mobility-enabled and high-efficiency hybrid scan approach in combination with ultra-high performance liquid chromatography enabling the comprehensive characterization of the multicomponents from Carthamus tinctorius

Integrating Enhanced Profiling and Chemometrics to Unveil the Potential Markers for Differentiating among the Leaves of Panax ginseng, P. quinquefolius, and P. notoginseng by Ultra-High Performance Liquid Chromatography/Ion Mobility-Quadrupole Time-of-Flight Mass Spectrometry

“…The Vion IM-QTOF LC-MS platform can enable diverse MS experiments, such as MS/HDMS, MS E /HDMS E , DDA/HDDDA, and the hybrid scan approach of HDMS E -MS/MS (HDMS E -HDDDA). Considering that the inclusion of PIL in DDA was able to greatly expand the coverage of the components of interest [ 19 , 21 , 44 ], in the current work, we evaluated the performance of four MS 2 acquisition approaches, involving the HDMS E , DDA, DDA-PIL, and the hybrid HDMS E -PIL/HDDDA in profiling the ginsenosides from the mixed QC1 sample. Evidently, the superiority of the established hybrid scan approach could be reflected in the following three aspects: (1) the coverage of targeted mass; (2) more resolvable and more reliable mass spectra; and (3) the provision of CCS information useful for discriminating the isomers.…”

“…As illustrated in the heat map, six groups of co-eluting components at 5.45, 8.40, 10.08, 12.55, 12.98, and 17.64 min, and six groups of isomers detected at m/z 1031.5445, 1139.5858, 961.5368, 799.4829, 1163.5855, and 679.4426 could be resolved due to the enabling of IM separation ( Figure 3 C,D). Thirdly, the hybrid scan approach could provide the CCS information, which displayed the potential for discriminating isomers [ 19 , 44 , 46 ]. Figure 3 E illustrated the CCS distribution and difference determined for six groups of isomers.…”

“…To characterize the chemical components and to discern the botanical source are two key issues to ensure the correct use of ginseng products. Currently available approaches dedicated to the systematic multi-component characterization from an herb or a biosample mostly rely on liquid chromatography-mass spectrometry (LC-MS), which has shown high selectivity (the flexible use of reversed-phase chromatography [ 19 ], hydrophilic interaction chromatography [ 20 ], and ion-exchange chromatography [ 21 ], etc. ), high sensitivity (diverse fit-for-purpose MS experiments), and high universality (covering most of the known classes of chemical structures).…”

Systematic Qualitative and Quantitative Analyses of Wenxin Granule via Ultra-High Performance Liquid Chromatography Coupled with Ion Mobility Quadrupole Time-of-Flight Mass Spectrometry and Triple Quadrupole–Linear Ion Trap Mass Spectrometry

“…The Vion IM-QTOF analytical platform can facilitate several DIA and DDA scan techniques, as well as allowing ion mobility separation. The HDMS E -HDDDA hybrid scan method is a relatively novel scanning strategy, which can enable the ion mobility separation of all precursor ions generating the high-definition MS 1 spectrum, while the alternate DIA and DDA acquisitions can record the HDMS E and HDDDA spectra with CID-MS 2 (collision-induced dissociation) data [ 20 , 21 , 22 , 32 ]. In this work, targeting multiple classes of components from WXG, we established the hybrid HDMS E -HDDDA approaches in both the negative and positive modes, and in each mode one scan cycle could generate an IM-enabled full-scan MS 1 , an MS 2 spectrum of HDMS E , and two MS 2 spectra of HDDDA (top 2).…”

“…In this study, we integrated both qualitative (multicomponent characterization) and quantitative assays (multicomponent quantitation) to evaluate the quality of WXG, with the overall technical route illustrated in Figure 1 . In detail, the qualitative analysis of WXG, the aim of which was to deeply characterize the multicomponents, was achieved via a high-definition MS E –high-definition DDA (HDMS E -HDDDA) hybrid scan approach using a Vion TM IM-QTOF mass spectrometer coupled to a reversed-phase UHPLC system [ 22 , 32 ]. The quantitative assays of the 24 potential quality markers were performed via scheduled multiple reaction monitoring (sMRM) using a QTrap 4500 mass spectrometer after UHPLC separation.…”