ArticleJournal of proteome research2015
NMR/MS Translator for the Enhanced Simultaneous Analysis of Metabolomics Mixtures by NMR Spectroscopy and Mass Spectrometry: Application to Human Urine.
Article in Journal of proteome research, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 27 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.
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.
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Who cites it
27 citing papers in PubMed.
- Can NMR-HetCA be a Reliable Prediction Tool for the Direct Identification of Bioactive Substances in Complex Mixtures?Analytical chemistry · 2024Article
- Uncovering waterlogging-responsive genes in cucumber through machine learning and differential gene correlation analysis.Botanical studies · 2024Article
- Opening the Random Forest Black Box ofMetabolites · 2023Article
- Identification of metabolites from complex mixtures by 3D correlation ofScientific reports · 2023Article
- Quality Consistency of Herbal Products: Chemical Evaluation.Progress in the chemistry of organic natural products · 2023Article
- Ultra-high-performance liquid chromatography high-resolution mass spectrometry variants for metabolomics research.Nature methods · 2021Review
- Development of an NMR-Based Platform for the Direct Structural Annotation of Complex Natural Products Mixtures.Journal of natural products · 2021Article
- Complementary Analytical Platforms of NMR Spectroscopy and LCMS Analysis in the Metabolite Profiling ofMarine drugs · 2021Article
- Nuclear Magnetic Resonance Spectroscopy in Clinical Metabolomics and Personalized Medicine: Current Challenges and Perspectives.Frontiers in molecular biosciences · 2021Review
- Effect of Biochar on Microbial Growth: A Metabolomics and Bacteriological Investigation in E. coli.Environmental science & technology · 2019Article
- Combining Mass Spectrometry and NMR Improves Metabolite Detection and Annotation.Journal of proteome research · 2018Article
- Recent Advances in Targeted and Untargeted Metabolomics by NMR and MS/NMR Methods.High-throughput · 2018Review
- The crucial role of multiomic approach in cancer research and clinically relevant outcomes.The EPMA journal · 2018Review
- Accurate Identification of Unknown and Known Metabolic Mixture Components by Combining 3D NMR with Fourier Transform Ion Cyclotron Resonance Tandem Mass Spectrometry.Journal of proteome research · 2017Article
- Metabolic Investigations of the Molecular Mechanisms Associated with Parkinson's Disease.Metabolites · 2017Review
- Beyond the paradigm: Combining mass spectrometry and nuclear magnetic resonance for metabolomics.Progress in nuclear magnetic resonance spectroscopy · 2017Review
- Mass spectrometry for the discovery of biomarkers of sepsis.Molecular bioSystems · 2017Review
- The future of NMR-based metabolomics.Current opinion in biotechnology · 2017Review
- Knowns and unknowns in metabolomics identified by multidimensional NMR and hybrid MS/NMR methods.Current opinion in biotechnology · 2017Review
- Recent Advances in NMR-Based Metabolomics.Analytical chemistry · 2017Review
Corrections and comments
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2 authors.
Funding
Abstract
A novel metabolite identification strategy is presented for the combined NMR/MS analysis of complex metabolite mixtures. The approach first identifies metabolite candidates from 1D or 2D NMR spectra by NMR database query, which is followed by the determination of the masses (m/z) of their possible ions, adducts, fragments, and characteristic isotope distributions. The expected m/z ratios are then compared with the MS(1) spectrum for the direct assignment of those signals of the mass spectrum that contain information about the same metabolites as the NMR spectra. In this way, the mass spectrum can be assigned with very high confidence, and it provides at the same time validation of the NMR-derived metabolites. The method was first demonstrated on a model mixture, and it was then applied to human urine collected from a pool of healthy individuals. A number of metabolites could be detected that had not been reported previously, further extending the list of known urine metabolites. The new analysis approach, which is termed NMR/MS Translator, is fully automated and takes only a few seconds on a computer workstation. NMR/MS Translator synergistically uses the power of NMR and MS, enhancing the accuracy and efficiency of the identification of those metabolites compiled in databases.
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Registered trials
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