ArticleNature communications2024
MS-DIAL 5 multimodal mass spectrometry data mining unveils lipidome complexities.
Article in Nature communications, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 66 papers.
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Who cites it
66 citing papers in PubMed.
- MSDMS: An Open-Source Web Application to Design and Manage Custom Tandem Mass Spectrometry Libraries.Methods in molecular biology (Clifton, N.J.) · 2027Article
- Implementation of Nano Flow Chromatography Coupled to Mass Spectrometry as a Reliable and Sensitive Discovery Lipidomics Platform.Rapid communications in mass spectrometry : RCM · 2026Article
- From Single Injection to Dual Insights: Integrating EAD and CID Acquisition for Spectral Library Generation and EAD-CID Spectral Matching.Analytical chemistry · 2026Article
- PEX11β controls early neural progenitor fate through regulation of peroxisomal fission and lipid metabolism.Stem cell reports · 2026Article
- Non-redundant cardiolipin synthase family proteins shape lipid composition and stress resilience inbioRxiv : the preprint server for biology · 2026Article
- Parameter-Based Prioritization of Time-Resolved LC-HRMS Ion Tracks for Untargeted Reaction Monitoring.International journal of molecular sciences · 2026Article
- Improving lipid identification and quantification: chromatogram deconvolution for LC-MS/MS workflows.Bioinformatics (Oxford, England) · 2026Article
- Effects of xanomeline-trospium on the gut-lung microbiota axis and susceptibility to LPS-induced acute lung injury in male and female mice.European archives of psychiatry and clinical neuroscience · 2026Article
- Non-volatile metabolomic differentiation of geographical origin and quality grade in pre-Qingming Xihu Longjing green tea using in-source fragment ion-assisted annotation.Food chemistry: X · 2026Article
- Bioassay-Guided Evaluation and LC-MS/MS Characterization of FiveMolecules (Basel, Switzerland) · 2026Article
- Biosynthesis of pathogen-induced hydroxylated tryptamine derivatives in barley.Plant physiology · 2026Article
- FERMO: A Dashboard for Biochemometric Prioritization of Molecular Features from Mass Spectral Data.ACS measurement science au · 2026Article
- Adaptation of White Adipocytes to Cooler Temperatures: Impacts on Energy Metabolism and Protein Acetylation.FASEB journal : official publication of the Federation of American Societies for Experimental Biology · 2026Article
- Phytochemical Profiling and Proteomic Insights into the Anti-Inflammatory Effects of Jing Guan Fang in LPS-Stimulated Macrophages.Antioxidants (Basel, Switzerland) · 2026Article
- Comparative Metabolomics Reveals the Production of Sulfated Metabolites by Human Gut Bacteria.Journal of the American Chemical Society · 2026Article
- PLA2G2F suppresses ferroptosis through phospholipid remodeling.Nature structural & molecular biology · 2026Article
- Integrated Liquid Chromatography-Tandem Mass Spectrometry and Headspace Solid-Phase Microextraction With Gas Chromatography-Mass Spectrometry-based Profiling Reveals Developmental Metabolic Dynamics of Ligusticum striatum DC.Journal of separation science · 2026Article
- Integrated Multiomics Enabled by Sequential Extraction for Comprehensive Molecular Profiling of Small Extracellular Vesicles.Analytical chemistry · 2026Article
- Kinetic Lipidomics: QuantifyingbioRxiv : the preprint server for biology · 2026Article
- Librarian: An Open-Access Web Application for High-Resolution Mass Spectral Library Assembly.Metabolites · 2026Article
6 more citing papers are in PubMed but not listed here.
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Authors and funding
32 authors.
Funding
Abstract
Lipidomics and metabolomics communities comprise various informatics tools; however, software programs handling multimodal mass spectrometry (MS) data with structural annotations guided by the Lipidomics Standards Initiative are limited. Here, we provide MS-DIAL 5 for in-depth lipidome structural elucidation through electron-activated dissociation (EAD)-based tandem MS and determining their molecular localization through MS imaging (MSI) data using a species/tissue-specific lipidome database containing the predicted collision-cross section values. With the optimized EAD settings using 14 eV kinetic energy, the program correctly delineated lipid structures for 96.4% of authentic standards, among which 78.0% had the sn-, OH-, and/or C = C positions correctly assigned at concentrations exceeding 1 μM. We showcased our workflow by annotating the sn- and double-bond positions of eye-specific phosphatidylcholines containing very-long-chain polyunsaturated fatty acids (VLC-PUFAs), characterized as PC n-3-VLC-PUFA/FA. Using MSI data from the eye and n-3-VLC-PUFA-supplemented HeLa cells, we identified glycerol 3-phosphate acyltransferase as an enzyme candidate responsible for incorporating n-3 VLC-PUFAs into the sn1 position of phospholipids in mammalian cells, which was confirmed using EAD-MS/MS and recombinant proteins in a cell-free system. Therefore, the MS-DIAL 5 environment, combined with optimized MS data acquisition methods, facilitates a better understanding of lipid structures and their localization, offering insights into lipid biology.
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