ReviewMetabolomics : Official journal of the Metabolomic Society2022
The critical role that spectral libraries play in capturing the metabolomics community knowledge.
Review in Metabolomics : Official journal of the Metabolomic Society, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 77 papers.
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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.
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Who cites it
77 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
- Dynamic Rhizodeposition in the Woody Perennial Populus trichocarpa.Plant, cell & environment · 2026Article
- X-Align: annotation-independent cross-platform alignment of untargeted metabolomics features.Chemical science · 2026Article
- Enhancing Molecular Change: Iron-Mediated Photochemistry Increases DOM Transformation in Tropical Peatland Canals.Environmental science & technology · 2026Article
- Discovery of VEGFR-2 Inhibitors From Leonurus japonicus via Integrated Genetic Authentication, Molecular Networking, and In Silico Analysis.Archiv der Pharmazie · 2026Article
- Large-scale discovery and annotation of substructure patterns in mass spectrometry profiles.Nature communications · 2026Article
- Chimpanzee-Guided Discovery of a Non-Native Bioactive Plant.Animals : an open access journal from MDPI · 2026Article
- The MassBank contributions of the mFam collaboration.Metabolomics : Official journal of the Metabolomic Society · 2026Article
- Characterizing the effect of short wavelengths on the floral flavonoid metabolome of medicinal cannabis using a comparative computational metabolomics workflow.Metabolomics : Official journal of the Metabolomic Society · 2026Article
- Librarian: An Open-Access Web Application for High-Resolution Mass Spectral Library Assembly.Metabolites · 2026Article
- Identification of novel sugar-small-molecule conjugates in human urine based on multi-energy LC-MS/MS analysis.Analytical and bioanalytical chemistry · 2026Article
- Curation of Mass Spectrometry Reference Data for Improved Identification and Dereplication of Cyanobacterial Specialized Metabolites.Journal of natural products · 2026Article
- Diet-dependent chemical fingerprinting inFood chemistry: X · 2026Article
- Evaluation of MassFrontier, MetFrag, MS-FINDER, and SIRIUS for Metabolite Annotation Using an Experimental LC-HRMS Dataset.Biomedicines · 2026Article
- Self-supervised learning from small-molecule mass spectrometry data.Nature biotechnology · 2026Article
- Self-supervised learning of molecular representations from millions of tandem mass spectra using DreaMS.Nature biotechnology · 2026Article
- Learning from All Views: A Multiview Contrastive Framework for Metabolite Annotation.Analytical chemistry · 2026Article
- De Novo Structure Prediction from Tandem Mass Spectra: Algorithms, Benchmarks, and Limitations.Molecules (Basel, Switzerland) · 2026Review
- Comprehensive Curation and Harmonization of Small-Molecule MS/MS Libraries in Spectraverse.Analytical chemistry · 2026Article
- Retrieval-Augmented Language Models Enable Scalable Chemical Source Classification in Metabolomics Workflows.Analytical chemistry · 2026Article
17 more citing papers are in PubMed but not listed here.
Corrections and comments
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Authors and funding
3 authors.
Funding
Abstract
backgroundSpectral library searching is currently the most common approach for compound annotation in untargeted metabolomics. Spectral libraries applicable to liquid chromatography mass spectrometry have grown in size over the past decade to include hundreds of thousands to millions of mass spectra and tens of thousands of compounds, forming an essential knowledge base for the interpretation of metabolomics experiments. AIM OF REVIEW: We describe existing spectral library resources, highlight different strategies for compiling spectral libraries, and discuss quality considerations that should be taken into account when interpreting spectral library searching results. Finally, we describe how spectral libraries are empowering the next generation of machine learning tools in computational metabolomics, and discuss several opportunities for using increasingly accessible large spectral libraries. KEY SCIENTIFIC CONCEPTS OF REVIEW: This review focuses on the current state of spectral libraries for untargeted LC-MS/MS based metabolomics. We show how the number of entries in publicly accessible spectral libraries has increased more than 60-fold in the past eight years to aid molecular interpretation and we discuss how the role of spectral libraries in untargeted metabolomics will evolve in the near future.
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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.