ArticleAnalytical chemistry2017
MetExtract II: A Software Suite for Stable Isotope-Assisted Untargeted Metabolomics.
Article in Analytical chemistry, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 45 papers, 1 of them a synthesis that pooled it.
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Who cites it
45 citing papers in PubMed, 1 synthesis or guideline pooled it.
- Evaluating LC-HRMS metabolomics data processing software using FAIR principles for research software.Metabolomics : Official journal of the Metabolomic Society · 2023Pooled it
- Fate of Aflatoxins and Fumonisins During Gluten-Free Pasta Processing: UntargetedJournal of mass spectrometry : JMS · 2026Article
- Article
- Urinary metabolome dynamics inMetabolomics : Official journal of the Metabolomic Society · 2025Article
- IsoPairFinder: A tool for biochemical pathway discovery using stable isotope tracing metabolomics.bioRxiv : the preprint server for biology · 2025Article
- Combining Stable Isotope Labeling and Candidate Substrate-Product Pair Networks Reveals Lignan, Oligolignol, and Chicoric Acid Biosynthesis in Flax Seedlings (Plants (Basel, Switzerland) · 2025Article
- Accuracy, linearity, and statistical differences in comparative quantification in untargeted plant metabolomics using LC-ESI-Orbitrap-MS.Analytical and bioanalytical chemistry · 2025Article
- Annotation of Metabolites in Stable Isotope Tracing Untargeted Metabolomics via Khipu-web.Journal of the American Society for Mass Spectrometry · 2024Article
- Detection of Inverse Stable Isotopic Labeling in Untargeted Metabolomic Data.Analytical chemistry · 2024Article
- A green-footprint approach for parallel multiclass analysis of contaminants in roasted coffee via LC-HRMS.Analytical and bioanalytical chemistry · 2024Article
- SIMPEL: using stable isotopes to elucidate dynamics of context specific metabolism.Communications biology · 2024Article
- Light-Induced Changes in Secondary Metabolite Production ofJournal of fungi (Basel, Switzerland) · 2023Article
- Untargeted Plant Metabolomics: Evaluation of Lyophilization as a Sample Preparation Technique.Metabolites · 2023Article
- Generalized Tree Structure to Annotate Untargeted Metabolomics and Stable Isotope Tracing Data.Analytical chemistry · 2023Article
- Generalized tree structure to annotate untargeted metabolomics and stable isotope tracing data.bioRxiv : the preprint server for biology · 2023Article
- Tracing Carbon Metabolism with Stable Isotope Metabolomics Reveals the Legacy of Diverse Carbon Sources in Soil.Applied and environmental microbiology · 2022Article
- Towards a broader view of the metabolome: untargeted profiling of soluble and bound polyphenols in plants.Analytical and bioanalytical chemistry · 2022Article
- Gramiketides, Novel Polyketide Derivatives ofJournal of fungi (Basel, Switzerland) · 2022Article
- Global stable-isotope tracing metabolomics reveals system-wide metabolic alternations in aging Drosophila.Nature communications · 2022Article
- An optimization method for untargeted MS-based isotopic tracing investigations of metabolism.Metabolomics : Official journal of the Metabolomic Society · 2022Article
Corrections and comments
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9 authors.
Funding
Abstract
Stable isotope labeling (SIL) techniques have the potential to enhance different aspects of liquid chromatography-high-resolution mass spectrometry (LC-HRMS)-based untargeted metabolomics methods including metabolite detection, annotation of unknown metabolites, and comparative quantification. In this work, we present MetExtract II, a software toolbox for detection of biologically derived compounds. It exploits SIL-specific isotope patterns and elution profiles in LC-HRMS(/MS) data. The toolbox consists of three complementary modules: M1 (AllExtract) uses mixtures of uniformly highly isotope-enriched and native biological samples for selective detection of the entire accessible metabolome. M2 (TracExtract) is particularly suited to probe the metabolism of endogenous or exogenous secondary metabolites and facilitates the untargeted screening of tracer derivatives from concurrently metabolized native and uniformly labeled tracer substances. With M3 (FragExtract), tandem mass spectrometry (MS/MS) fragments of corresponding native and uniformly labeled ions are evaluated and automatically assigned with putative sum formulas. Generated results can be graphically illustrated and exported as a comprehensive data matrix that contains all detected pairs of native and labeled metabolite ions that can be used for database queries, metabolome-wide internal standardization, and statistical analysis. The software, associated documentation, and sample data sets are freely available for noncommercial use at http://metabolomics-ifa.boku.ac.at/metextractII .
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