ArticleAnalytical chemistry2012
TOCCATA: a customized carbon total correlation spectroscopy NMR metabolomics database.
Article in Analytical chemistry, 2012. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 33 papers.
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Who cites it
33 citing papers in PubMed.
- PyINETA: Open-Source Platform for INADEQUATE-JRES Integration in NMR Metabolomics.Analytical chemistry · 2024Article
- Problems, principles and progress in computational annotation of NMR metabolomics data.Metabolomics : Official journal of the Metabolomic Society · 2022Review
- Leveraging the HMBC to Facilitate Metabolite Identification.Analytical chemistry · 2022Article
- NMR-Based Approaches in the Study of Foods.Molecules (Basel, Switzerland) · 2022Review
- Variable-temperature NMR spectroscopy for metabolite identification in biological materials.RSC advances · 2021Article
- The exposome paradigm to predict environmental health in terms of systemic homeostasis and resource balance based on NMR data science.RSC advances · 2021Review
- Phosphorus NMR and Its Application to Metabolomics.Analytical chemistry · 2020Article
- Metabolomics in the Context of Plant Natural Products Research: From Sample Preparation to Metabolite Analysis.Metabolites · 2020Review
- InterSpin: Integrated Supportive Webtools for Low- and High-Field NMR Analyses Toward Molecular Complexity.ACS omega · 2019Article
- Article
- Recent Advances in Targeted and Untargeted Metabolomics by NMR and MS/NMR Methods.High-throughput · 2018Review
- Expanding the Coverage of the Metabolome with Nitrogen-Based NMR.Analytical chemistry · 2018Article
- Application of kernel principal component analysis and computational machine learning to exploration of metabolites strongly associated with diet.Scientific reports · 2018Article
- 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
- Maximal clique method for the automated analysis of NMR TOCSY spectra of complex mixtures.Journal of biomolecular NMR · 2017Article
- Knowns and unknowns in metabolomics identified by multidimensional NMR and hybrid MS/NMR methods.Current opinion in biotechnology · 2017Review
- Natural Products Diversity of Marine Ascidians (Tunicates; Ascidiacea) and Successful Drugs in Clinical Development.Natural products and bioprospecting · 2017Review
- Comprehensive Metabolite Identification Strategy Using Multiple Two-Dimensional NMR Spectra of a Complex Mixture Implemented in the COLMARm Web Server.Analytical chemistry · 2016Article
- Review
- Two elephants in the room: new hybrid nuclear magnetic resonance and mass spectrometry approaches for metabolomics.Current opinion in clinical nutrition and metabolic care · 2015Review
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
A customized metabolomics NMR database, TOCCATA, is introduced, which uses (13)C chemical shift information for the reliable identification of metabolites, their spin systems, and isomeric states. TOCCATA, whose information was derived from the BMRB and HMDB databases and the literature, currently contains 463 compounds and 801 spin systems, and it can be used through a publicly accessible web server. TOCCATA allows the identification of metabolites in the submillimolar concentration range from (13)C-(13)C total correlation spectroscopy experiments of complex mixtures, which is demonstrated for an Escherichia coli cell lysate, a carbohydrate mixture, and an amino acid mixture, all of which were uniformly (13)C-labeled.
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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.