ArticleNature methods2018
Identifying metabolites by integrating metabolome databases with mass spectrometry cheminformatics.
Article in Nature methods, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 265 papers.
What it found
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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.
The trial behind it
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Who cites it
265 citing papers in PubMed.
- Artificial Intelligence and Machine Learning in Mass Spectrometry-Based Proteomics and Metabolomics.Methods in molecular biology (Clifton, N.J.) · 2027Article
- Dynamic Rhizodeposition in the Woody Perennial Populus trichocarpa.Plant, cell & environment · 2026Article
- DeepMASS v.2: An enhanced deep learning platform for large-scale discovery and structural annotation of unknown plant metabolites.Plant communications · 2026Article
- A dual‑site reactive ratiometric fluorescent probe for spermine and spermidine discrimination with visualizable sensing.Mikrochimica acta · 2026Article
- Integrated transcriptomic and metabolomic analysis reveals key pathways and metabolites underlying cold tolerance in passion fruit.Horticulture research · 2026Article
- Untargeted Metabolomic and Phytochemical Profiling ofPharmaceuticals (Basel, Switzerland) · 2026Article
- Reduced peroxisomal function increases insulin secretion, promotes insulin oxidation, and impairs β cell maturity.JCI insight · 2026Article
- Retrospective Metabolomics Profiling of Clinical Urine Drug Screen Samples Reveals Features Associated with Opiate Exposure.Metabolites · 2026Article
- Interactive Software for Interpreting and Curating High-Resolution Electron Ionization Mass Spectra.Journal of mass spectrometry : JMS · 2026Article
- Investigation of the effects of ampicillin and ceftazidime on Proteus mirabilis using metabolomic approaches and bioinformatics analyses.Folia microbiologica · 2026Article
- LC-HRMS and Molecular Networking for Non-Targeted Screening of Emerging Contaminants in Cosmetics: Workflow, Applications, and Regulatory Challenges.Molecules (Basel, Switzerland) · 2026Review
- Article
- The MassBank contributions of the mFam collaboration.Metabolomics : Official journal of the Metabolomic Society · 2026Article
- Metabolomic characterization and temporal dynamics of Burkholderia cepacia for polyhydroxyalkanoates production from oleic acid.Metabolomics : Official journal of the Metabolomic Society · 2026Article
- Comparison of fecal and plasma metabolite correlations following nutrition or exercise interventions.Metabolomics : Official journal of the Metabolomic Society · 2026Article
- Unlocking the stability and storage conditions of plant-derived nanovesicles through metabolomic and lipidomic profiling.Scientific reports · 2026Article
- Geographic Influence on Secondary Metabolite Profiles in Leaves of the EndemicInternational journal of molecular sciences · 2026Article
- Molspectra: a general framework for multi-spectra prediction from molecular structures.Journal of molecular modeling · 2026Article
- Serum β-hydroxybutyrate as a diagnostic biomarker distinguishing acute calcium pyrophosphate crystal arthritis from rheumatoid arthritis.Clinical rheumatology · 2026Article
- Artificial intelligence-based screening of phytochemicals for targeted cancer therapy.Natural products and bioprospecting · 2026Review
205 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
14 authors.
Funding
Abstract
Novel metabolites distinct from canonical pathways can be identified through the integration of three cheminformatics tools: BinVestigate, which queries the BinBase gas chromatography-mass spectrometry (GC-MS) metabolome database to match unknowns with biological metadata across over 110,000 samples; MS-DIAL 2.0, a software tool for chromatographic deconvolution of high-resolution GC-MS or liquid chromatography-mass spectrometry (LC-MS); and MS-FINDER 2.0, a structure-elucidation program that uses a combination of 14 metabolome databases in addition to an enzyme promiscuity library. We showcase our workflow by annotating N-methyl-uridine monophosphate (UMP), lysomonogalactosyl-monopalmitin, N-methylalanine, and two propofol derivatives.
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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.