Highly reliable LC-MS lipidomics database for efficient human plasma profiling based on NIST SRM 1950

Area of Science:

• Biochemistry
• Analytical Chemistry
• Metabolomics

Background:

• Liquid chromatography coupled to high-resolution mass spectrometry (LC-HRMS) is the standard for human plasma lipidome profiling.
• Challenges in lipid chemistry and data analysis complicate accurate characterization.
• Standardized methods are needed to meet quality requirements for LC-HRMS lipidomics data.

Purpose of the Study:

• To characterize the NIST® Standard Reference Material for Human Plasma (SRM 1950) using LC-ESI(+/-)-MS.
• To develop a high-throughput lipidome profiling method.
• To create a comprehensive, high-quality lipid database for human plasma.

Main Methods:

• Utilized liquid chromatography coupled to high-resolution mass spectrometry (LC-HRMS) with electrospray ionization in positive and negative modes (LC-ESI(+/-)-MS).
• Developed a curated lipid database incorporating adduct formation, m/z evaluation, and retention behavior analysis.
• Implemented expert-driven resolution of isomeric and isobaric interferences for enhanced accuracy.

Main Results:

• Generated a highly curated lipid database with 592 entries, increasing coverage, quality, and consistency.
• Demonstrated the utility of the in-house database for fast, comprehensive, and reliable lipidomic profiling of human plasma.
• Validated the method's compatibility with high-throughput lipidome profiling.

Conclusions:

• The developed robust resource and methodology significantly improve untargeted plasma lipidomic studies.
• Implementation of this approach reduces data redundancy and analytical bottlenecks.
• This work facilitates faster and more reliable characterization of the human plasma lipidome.