ArticleBioinformatics (Oxford, England)2013
MetPP: a computational platform for comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry-based metabolomics.
Article in Bioinformatics (Oxford, England), 2013. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 34 papers.
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Who cites it
34 citing papers in PubMed.
- Evaluation of peak alignment performance of commercial and open-source tools for GC×GC-MS based non-targeted screening.Briefings in bioinformatics · 2026Article
- Unveiling Microbial Chemical Interactions Based on Metabolomics Approaches.Advances in experimental medicine and biology · 2023Article
- Integrated Multilayer Omics Reveals the Genomic, Proteomic, and Metabolic Influences of Histidyl Dipeptides on the Heart.Journal of the American Heart Association · 2022Article
- Metabolomics Analysis of Cell-Free Expression Systems Using Gas Chromatography-Mass Spectrometry.Methods in molecular biology (Clifton, N.J.) · 2022Article
- Metabolic Dynamics inACS synthetic biology · 2021Article
- A hierarchical approach to removal of unwanted variation for large-scale metabolomics data.Nature communications · 2021Article
- Comprehensive Two-Dimensional Gas Chromatography Mass Spectrometry-Based Metabolomics.Advances in experimental medicine and biology · 2021Article
- Development of a Gas Chromatography-Time-of-Flight Method for Detecting Glucosinolate Metabolites and Volatile Organic Compounds in Kimchi.International journal of analytical chemistry · 2021Article
- Automating and Extending Comprehensive Two-Dimensional Gas Chromatography Data Processing by Interfacing Open-Source and Commercial Software.Analytical chemistry · 2020Article
- Integrating Two-Dimensional Gas and Liquid Chromatography-Mass Spectrometry for Untargeted Colorectal Cancer Metabolomics: A Proof-of-Principle Study.Metabolites · 2020Article
- Using Multiple Analytical Platforms to Investigate the Androgen Depletion Effects on Fecal Metabolites in a Mouse Model of Systemic Lupus Erythematosus.Journal of proteome research · 2020Article
- Metabolic Profiling ofIndustrial & engineering chemistry research · 2019Article
- Article
- Profiling of Polar Metabolites in Mouse Feces Using Four Analytical Platforms to Study the Effects Of Cathelicidin-Related Antimicrobial Peptide in Alcoholic Liver Disease.Journal of proteome research · 2019Article
- Metabolome-based signature of disease pathology in MS.Multiple sclerosis and related disorders · 2019Article
- Global Plasma Profiling for Colorectal Cancer-Associated Volatile Organic Compounds: a Proof-of-Principle Study.Journal of chromatographic science · 2019Article
- Advances in the application of comprehensive two-dimensional gas chromatography in metabolomics.Trends in analytical chemistry : TRAC · 2018Article
- Metabolomics Analysis of the Toxic Effects of the Production of Lycopene and Its Precursors.Frontiers in microbiology · 2018Article
- Analysis of stable isotope assisted metabolomics data acquired by GC-MS.Analytica chimica acta · 2017Article
- From chromatogram to analyte to metabolite. How to pick horses for courses from the massive web resources for mass spectral plant metabolomics.GigaScience · 2017Review
Corrections and comments
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Authors and funding
9 authors.
Funding
Abstract
motivationDue to the high complexity of metabolome, the comprehensive 2D gas chromatography time-of-flight mass spectrometry (GC×GC-TOF MS) is considered as a powerful analytical platform for metabolomics study. However, the applications of GC×GC-TOF MS in metabolomics are not popular owing to the lack of bioinformatics system for data analysis.
resultsWe developed a computational platform entitled metabolomics profiling pipeline (MetPP) for analysis of metabolomics data acquired on a GC×GC-TOF MS system. MetPP can process peak filtering and merging, retention index matching, peak list alignment, normalization, statistical significance tests and pattern recognition, using the peak lists deconvoluted from the instrument data as its input. The performance of MetPP software was tested with two sets of experimental data acquired in a spike-in experiment and a biomarker discovery experiment, respectively. MetPP not only correctly aligned the spiked-in metabolite standards from the experimental data, but also correctly recognized their concentration difference between sample groups. For analysis of the biomarker discovery data, 15 metabolites were recognized with significant concentration difference between the sample groups and these results agree with the literature results of histological analysis, demonstrating the effectiveness of applying MetPP software for disease biomarker discovery. AVAILABILITY: The source code of MetPP is available at http://metaopen.sourceforge.net CONTACT: xiang.zhang@louisville.edu SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.
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