ReviewJournal of the American Chemical Society2020
Chemical Discovery in the Era of Metabolomics.
Review in Journal of the American Chemical Society, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 89 papers, 1 of them a synthesis that pooled it.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
89 citing papers in PubMed, 1 synthesis or guideline pooled it, 178 citations in OpenAlex.
- Metabolomic characteristics and related pathways in patients with different severity of COVID-19: a systematic review and meta-analysis.Journal of global health · 2025Pooled it
- Leveraging 13C-Labeling to Assign Molecular Formulas to Unknown Yeast Metabolites.Journal of the American Society for Mass Spectrometry · 2026Article
- Lipid Class Prediction from MS1 Data using Gaussian Graphical Models.Analytical chemistry · 2026Article
- Decoding cancer across scales with metabolomics.Nature reviews. Cancer · 2026Review
- RAW 264.7 macrophage cell line as a metabolomic model for analyzing and understanding inflammation processes.Naunyn-Schmiedeberg's archives of pharmacology · 2026Review
- Metabolic reprogramming in aortic diseases: insights from metabolomics and therapeutic opportunities.Medical review (2021) · 2026Review
- Discovery of metabolites produced by reactions between central carbon metabolites and cysteine that mark inflammatory macrophages.bioRxiv : the preprint server for biology · 2026Article
- Measurable Feature Prediction for Estimating Chemical Space Coverage in LC-ESI-HRMS Nontargeted Analysis.Analytical chemistry · 2026Article
- Microbial Communities, Volatile Flavor Profiles and Metabolomic Characteristics During Traditional Hakka Huangjiu Fermentation.Foods (Basel, Switzerland) · 2026Article
- Comprehensive Curation and Harmonization of Small-Molecule MS/MS Libraries in Spectraverse.Analytical chemistry · 2026Article
- Latest Developments in Mass Spectrometry-Based Techniques for Metabolomics Analysis.Advances in experimental medicine and biology · 2026Review
- Metabolomics: Fundamentals, Methods, Analysis, Limits, and Recommendations.Advances in experimental medicine and biology · 2026Review
- Mass Spectrometry as a Tool for Metabolomics in Cancer.Advances in experimental medicine and biology · 2026Review
- Applications of Metabolomics in the Development of Biomedicine and Biotechnology.Advances in experimental medicine and biology · 2026Review
- Metabolomics Data Processing Using the Asari Toolkit.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Comprehensive LC-MS Metabolomics Data Processing with notame R/Bioconductor Package.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Improving the Detection of Analyte Degeneracies in Untargeted Liquid Chromatography-Tandem Mass Spectrometry Data.Analytical chemistry · 2025Article
- Mapping unsolved lipidomes accelerates lipid discovery in major bacterial pathogens.bioRxiv : the preprint server for biology · 2025Article
- Harnessing Metabolomics to Advance Nutrition-Based Therapeutics for Inflammation: A Systematic Review of Randomized Clinical Trials.Metabolites · 2025Review
- Harmonizing human plasma metabolite annotation with Plasma Benchmark.Nature metabolism · 2025Article
29 more citing papers are in PubMed but not listed here.
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
2 authors at 1 institution in 1 country.
Funding
Abstract
Untargeted metabolomics aims to quantify the complete set of metabolites within a biological system, most commonly by liquid chromatography/mass spectrometry (LC/MS). Since nearly the inception of the field, compound identification has been widely recognized as the rate-limiting step of the experimental workflow. In spite of exponential increases in the size of metabolomic databases, which now contain experimental MS/MS spectra for over a half a million reference compounds, chemical structures still cannot be confidently assigned to many signals in a typical LC/MS dataset. The purpose of this Perspective is to consider why identification rates continue to be low in untargeted metabolomics. One rationalization is that many naturally occurring metabolites detected by LC/MS are true "novel" compounds that have yet to be incorporated into metabolomic databases. An alternative possibility, however, is that research data do not provide database matches because of informatic artifacts, chemical contaminants, and signal redundancies. Increasing evidence suggests that, for at least some sample types, many unidentifiable signals in untargeted metabolomics result from the latter rather than new compounds originating from the specimen being measured. The implications of these observations on chemical discovery in untargeted metabolomics are discussed.
Indexed as
Identifiers
What OpenQuestion holds
Registered trials
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.