Exploring the Impact of Organic Solvent Quality and Unusual Adduct Formation during LC-MS-Based Lipidomic Profiling

0574879 - FGÚ 2024 RIV CH eng J - Journal Article
Čajka, Tomáš - Hricko, Jiří - Rudl Kulhavá, Lucie - Paučová, Michaela - Nováková, Michaela - Fiehn, O. - Kuda, Ondřej
Exploring the Impact of Organic Solvent Quality and Unusual Adduct Formation during LC-MS-Based Lipidomic Profiling.
Metabolites. Roč. 13, č. 9 (2023), č. článku 966. E-ISSN 2218-1989
R&D Projects: GA MZd(CZ) NU20-01-00186; GA MZd(CZ) NU22-02-00161; GA ČR(CZ) GA20-21114S; GA MŠMT(CZ) LTAUSA19124; GA MŠMT(CZ) LX22NPO5104; GA ČR(CZ) GA21-00477S
Grant - others:AV ČR(CZ) LQ200111901
Program: Prémie Lumina quaeruntur
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:67985823
Keywords : lipidomics * metabolomics * liquid chromatography * mass spectrometry * method development * solvent quality * adduct formation * MS/MS annotation * misidentification * lipids
OECD category: Analytical chemistry
Impact factor: 4.1, year: 2022
Method of publishing: Open access
https://www.mdpi.com/2218-1989/13/9/966

Liquid chromatography–mass spectrometry (LC-MS) is the key technique for analyzing complex lipids in biological samples. Various LC-MS modes are used for lipid separation, including different stationary phases, mobile-phase solvents, and modifiers. Quality control in lipidomics analysis is crucial to ensuring the generated data’s reliability, reproducibility, and accuracy. While several quality control measures are commonly discussed, the impact of organic solvent quality during LC-MS analysis is often overlooked. Additionally, the annotation of complex lipids remains prone to biases, leading to potential misidentifications and incomplete characterization of lipid species. In this study, we investigate how LC-MS-grade isopropanol from different vendors may influence the quality of the mobile phase used in LC-MS-based untargeted lipidomic profiling of biological samples. Furthermore, we report the occurrence of an unusual, yet highly abundant, ethylamine adduct [M+46.0651]+ that may form for specific lipid subclasses during LC-MS analysis in positive electrospray ionization mode when acetonitrile is part of the mobile phase, potentially leading to lipid misidentification. These findings emphasize the importance of considering solvent quality in LC-MS analysis and highlight challenges in lipid annotation.
Permanent Link: https://hdl.handle.net/11104/0344811