A DMS Shotgun Lipidomics Workflow Application to Facilitate High-Throughput, Comprehensive Lipidomics

Area of Science:

• Lipidomics
• Mass Spectrometry
• Analytical Chemistry

Background:

• Differential mobility spectrometry (DMS) is valuable for shotgun lipidomics, enabling measurement of isobaric species and acyl tail characterization.
• Existing workflows, like the Sciex Lipidyzer platform, face challenges including frequent tuning and outdated software.
• Current software is limited to a single workflow and cannot incorporate new standards or analyze additional lipid species.

Purpose of the Study:

• To develop a flexible and updated software solution for DMS-based shotgun lipidomics.
• To address the limitations of existing platforms, including software obsolescence and workflow restrictions.
• To enhance the capabilities of DMS-based lipidomics analysis.

Main Methods:

• Development of Shotgun Lipidomics Assistant (SLA), a Python-based application.
• Utilizing a Sciex 5500 QTRAP with SelexION DMS and LC for direct infusion experiments.
• Implementation of flexible MRM (Multiple Reaction Monitoring) list management for lipids and standards.

Main Results:

• SLA facilitates rapid quantitative lipidomics data analysis, comparable to the Lipidyzer software.
• The application enables expanded lipidomics analysis, identifying over 1450 lipid species across 17 (sub)classes.
• SLA incorporates isotope correction, a feature previously unavailable in the original software.

Conclusions:

• Shotgun Lipidomics Assistant (SLA) provides a flexible, efficient, and updated solution for DMS-based shotgun lipidomics.
• SLA enhances analytical capabilities by supporting a broader range of lipid species and incorporating crucial features like isotope correction.
• This new application significantly improves the workflow for complex lipidomic analyses.