ArticleAnalytical chemistry2018
Optimization of Electrospray Ionization Source Parameters for Lipidomics To Reduce Misannotation of In-Source Fragments as Precursor Ions.
Article in Analytical chemistry, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 24 papers.
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Who cites it
24 citing papers in PubMed.
- IMFrag: A Tool to Recognize In-Source Fragmentation in Ion Mobility-Enabled Data-Independent Acquisition Workflows.Analytical chemistry · 2026Article
- Lipidome changes indicate oxidative stress, inflammation, and specific loss of glycerophosphoserine inflammatory protection in patients with lupus.Journal of pharmaceutical and biomedical analysis · 2026Article
- Folic Acid-Conjugated PLGA Nanoparticles of Eugenol: Development, Characterization, and In Vitro Cytotoxicity Studies on Breast Cancer Cell Line.BioMed research international · 2026Article
- Quantitative Profiling of Metabolites, Sugars, and Lipids in Pollen Tubes by Mass Spectrometry.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Integrated transcriptome and metabolome analyses uncover stage-specific dynamic regulatory networks during sesame floral development.Frontiers in plant science · 2026Article
- Simultaneous Detection of Polar and Nonpolar Molecules by Nano-ESI MS with Plasma Ignited by an Ozone Generator Power Supply.Molecules (Basel, Switzerland) · 2025Article
- Highly reliable LC-MS lipidomics database for efficient human plasma profiling based on NIST SRM 1950.Journal of lipid research · 2024Article
- Age-related changes in circadian regulation of the human plasma lipidome.Communications biology · 2023Article
- Non-targeted analysis (NTA) and suspect screening analysis (SSA): a review of examining the chemical exposome.Journal of exposure science & environmental epidemiology · 2023Review
- Clinical Blood Metabogram: Application to Overweight and Obese Patients.Metabolites · 2023Article
- Mass Spectrometric Blood Metabogram: Acquisition, Characterization, and Prospects for Application.International journal of molecular sciences · 2023Article
- Maximizing MS/MS Acquisition for Lipidomics Using Capillary Separation and Orbitrap Tribrid Mass Spectrometer.Analytical chemistry · 2022Article
- RECOGNITION AND AVOIDANCE OF ION SOURCE-GENERATED ARTIFACTS IN LIPIDOMICS ANALYSIS.Mass spectrometry reviews · 2022Review
- Networks and Graphs Discovery in Metabolomics Data Analysis and Interpretation.Frontiers in molecular biosciences · 2022Review
- Obesity-Related Changes in Human Plasma Lipidome Determined by the Lipidyzer Platform.Biomolecules · 2021Article
- Recommendations for good practice in MS-based lipidomics.Journal of lipid research · 2021Review
- Recent advances in analytical strategies for mass spectrometry-based lipidomics.Analytica chimica acta · 2020Review
- Spatial Metabolomics and Imaging Mass Spectrometry in the Age of Artificial Intelligence.Annual review of biomedical data science · 2020Article
- Review
- Enhanced in-Source Fragmentation Annotation Enables Novel Data Independent Acquisition and Autonomous METLIN Molecular Identification.Analytical chemistry · 2020Article
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9 authors.
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Abstract
Lipidomics requires the accurate annotation of lipids in complex samples to enable determination of their biological relevance. We demonstrate that unintentional in-source fragmentation (ISF, common in lipidomics) generates ions that have identical masses to other lipids. Lysophosphatidylcholines (LPC), for example, generate in-source fragments with the same mass as free fatty acids and lysophosphatidylethanolamines (LPE). The misannotation of in-source fragments as true lipids is particularly insidious in complex matrixes since most masses are initially unannotated and comprehensive lipid standards are unavailable. Indeed, we show such LPE/LPC misannotations are incorporated in the data submitted to the National Institute of Standards and Technology (NIST) interlaboratory comparison exercise. Computer simulations exhaustively identified potential misannotations. The selection of in-source fragments of highly abundant lipids as features, instead of the correct recognition of trace lipids, can potentially lead to (i) missing the biologically relevant lipids (i.e., a false negative) and/or (ii) incorrect assignation of a phenotype to an incorrect lipid (i.e., false positive). When ISF is not eliminated in the negative ion mode, ∼40% of the 100 most abundant masses corresponding to unique phospholipids measured in plasma were artifacts from ISF. We show that chromatographic separation and ion intensity considerations assist in distinguishing precursor ions from in-source fragments, suggesting ISF may be especially problematic when complex samples are analyzed via shotgun lipidomics. We also conduct a systematic evaluation of electrospray ionization (ESI) source parameters on an Exactive equipped with a heated electrospray ionization (HESI-II) source with the objective of obtaining uniformly appropriate source conditions for a wide range of lipids, while, at the same time, reducing in-source fragmentation.
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