ArticleAnalytical chemistry2015
Avoiding misannotation of in-source fragmentation products as cellular metabolites in liquid chromatography-mass spectrometry-based metabolomics.
Article in Analytical chemistry, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 87 papers.
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Who cites it
87 citing papers in PubMed, 201 citations in OpenAlex.
- From known chemical space to unannotated metabolites: a cluster-guided retention-time driven framework for biologically informed annotation.Metabolomics : Official journal of the Metabolomic Society · 2026Article
- IMFrag: A Tool to Recognize In-Source Fragmentation in Ion Mobility-Enabled Data-Independent Acquisition Workflows.Analytical chemistry · 2026Article
- Metabolomics using anion-exchange chromatography mass spectrometry for the analysis of cells, tissues and biofluids.Nature protocols · 2026Review
- The undiscovered natural product potential of Actinomycetes.The Journal of antibiotics · 2026Article
- Combined mass spectrometry and computational analysis of cyanine dyes and their structural analogues.RSC advances · 2026Article
- Exploring Field-Induced Fragmentation of Protonated Alcohols: Mechanistic Insights and Stabilizing Ion-Solvent Clusters.Journal of the American Society for Mass Spectrometry · 2026Article
- Detecting and Grouping In-Source Fragments with Low-Energy Stepped HCD, Together with MSMetabolites · 2026Article
- Determination of ETN101, a novel anti-hepatic cancer agent and its two metabolites in rat biological matrices using LC-MS/MS for ADME characterization.Frontiers in pharmacology · 2026Article
- A Novel Approach for Post-Acquisition Mass Calibration in Metabolomic Profiling by High-Resolution Mass Spectrometry.Advances in experimental medicine and biology · 2026Article
- Metabolome restructuring reveals distinct virocell infection strategies in bacteriophage-host interaction.ISME communications · 2026Article
- Enhancing metabolite coverage using dedicated mobile phases for individual polarity modes in HILIC-MS.Analytical and bioanalytical chemistry · 2026Article
- Review
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- Clustering of chemical profiles ofIndustrial crops and products · 2025Article
- Retrospective Urine Metabolomics of Clinical Toxicology Samples Reveals Features Associated with Cocaine Exposure.Metabolites · 2025Article
- The Dark Metabolome/Lipidome and In-Source Fragmentation.Analytical science advances · 2025Article
- Comprehensive profiling of folates across polyglutamylation and one-carbon states.Metabolomics : Official journal of the Metabolomic Society · 2025Article
- MS1FA: Shiny app for the annotation of redundant features in untargeted metabolomics datasets.Bioinformatics (Oxford, England) · 2025Article
- Structural annotation of full-scan MS data: A unified solution for LC-MS and MS imaging analyses.bioRxiv : the preprint server for biology · 2025Article
- Discovery of metabolites prevails amid in-source fragmentation.Nature metabolism · 2025Article
27 more citing papers are in PubMed but not listed here.
Corrections and comments
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Authors and funding
3 authors at 1 institution in 1 country.
Funding
Abstract
Liquid chromatography-mass spectrometry (LC-MS) technology allows for rapid quantitation of cellular metabolites, with metabolites identified by mass spectrometry and chromatographic retention time. Recently, with the development of rapid scanning high-resolution high accuracy mass spectrometers and the desire for high throughput screening, minimal or no chromatographic separation has become increasingly popular. When analyzing complex cellular extracts, however, the lack of chromatographic separation could potentially result in misannotation of structurally related metabolites. Here, we show that, even using electrospray ionization, a soft ionization method, in-source fragmentation generates unwanted byproducts of identical mass to common metabolites. For example, nucleotide-triphosphates generate nucleotide-diphosphates, and hexose-phosphates generate triose-phosphates. We evaluated yeast intracellular metabolite extracts and found more than 20 cases of in-source fragments that mimic common metabolites. Accordingly, chromatographic separation is required for accurate quantitation of many common cellular metabolites.
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.