ReviewMetabolites2018
Software Tools and Approaches for Compound Identification of LC-MS/MS Data in Metabolomics.
Review in Metabolites, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 344 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
344 citing papers in PubMed, 1 synthesis or guideline pooled it.
- Pooled it
- Blood metabolic profiling associated with a short-term intensive training period in elite male water polo athletes: an exploratory metabolomics study.Journal of the International Society of Sports Nutrition · 2026Article
- Article
- Article
- Genomic and functional characterization of Bacillus subtilis subsp. subtilis INPA R296 with emulsifying activity in cultivation with residual soybean oil.Brazilian journal of microbiology : [publication of the Brazilian Society for Microbiology] · 2026Article
- Metabolomics Based Biomarkers of Green Beans Intake.Molecular nutrition & food research · 2026Article
- A Metabolism-Oriented Strategy for Systematic Analysis of the Pharmacological Material Basis of Classic Traditional Chinese Medicine Formulas: Taking Wuao Sanzi Decoction as an Example.Journal of separation science · 2026Article
- Identification of Metabolic Biomarkers in Bone Marrow Aspirate for Diagnosis, Prognosis, and Therapeutic Monitoring in Pediatric Langerhans Cell Histiocytosis.Annals of laboratory medicine · 2026Article
- Enzymatic depolymerization of laboratory waste DNA to a dGMP-containing pool and analytical assessment of dGTP in a crude-lysate guanylate kinase system.Molecular biology reports · 2026Article
- Organ-Resolved Untargeted LC-MS/MS Profiling of Putative Metabolite Families in Aerial Organs ofMetabolites · 2026Article
- Comparative Phytochemical Profiling, Antioxidant Activity, and Chondrocyte Cytocompatibility of Water and Ethanolic Extracts from Different Organs of Golden Gardenia (Antioxidants (Basel, Switzerland) · 2026Article
- 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
- Comparative Analysis ofGenes · 2026Article
- Energy-sparing effect of oregano essential oil-lauric acid complex in broilers: Insights from serum metabolomics and 16S rRNA sequencing.Poultry science · 2026Article
- Metabolite Fraction Libraries for Quantitative NMR Metabolomics.Analytical chemistry · 2026Article
- Trends in Computational Metabolomics: A Perspective on Five Years of Software Development, Challenges, and Opportunities (2021-2025).Analytical chemistry · 2026Review
- Article
- Deciphering the Multi-Target Mechanisms of Sheshang Jiedu Decoction Against Snake Envenomation-Induced Acute Hepatic Dysfunction: An Integrated Multi-Omics Study.Pharmaceuticals (Basel, Switzerland) · 2026Article
- Comprehensive Liquid Chromatography-Mass Spectrometry-based Metabolite Annotation Elucidates the Chemical Diversity of an Endangered Plant Nardostachys jatamansi.Journal of separation science · 2026Article
- Metabolomic characterization and temporal dynamics of Burkholderia cepacia for polyhydroxyalkanoates production from oleic acid.Metabolomics : Official journal of the Metabolomic Society · 2026Article
284 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
4 authors.
Funding
Abstract
The annotation of small molecules remains a major challenge in untargeted mass spectrometry-based metabolomics. We here critically discuss structured elucidation approaches and software that are designed to help during the annotation of unknown compounds. Only by elucidating unknown metabolites first is it possible to biologically interpret complex systems, to map compounds to pathways and to create reliable predictive metabolic models for translational and clinical research. These strategies include the construction and quality of tandem mass spectral databases such as the coalition of MassBank repositories and investigations of MS/MS matching confidence. We present in silico fragmentation tools such as MS-FINDER, CFM-ID, MetFrag, ChemDistiller and CSI:FingerID that can annotate compounds from existing structure databases and that have been used in the CASMI (critical assessment of small molecule identification) contests. Furthermore, the use of retention time models from liquid chromatography and the utility of collision cross-section modelling from ion mobility experiments are covered. Workflows and published examples of successfully annotated unknown compounds are included.
Indexed as
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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.