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MetabolomicsStable Isotope-Assisted Metabolomics for Deciphering Xenobiotic Metabolism in Mammalian Cell Culture
Xenobiotics are ubiquitous in the environment and modified abundantly in the human body by phase I and II metabolism. Liquid chromatography coupled to high resolution mass spectrometry is a powerful tool to investigate these biotransformation products. Here, we present a workflow based on stable iso...
2020-04-14 | MTBLS1358 | MetaboLights
MetabolomicsGlobal Stable-isotope Tracing Metabolomics Reveals System-wide Metabolic Alternations in Aging Drosophila

System-wide metabolic homeostasis is crucial for maintaining physiological functions of living organisms. Stable-isotope tracing metabolomics allows to unravel metabolic activity quantitatively by measuring the isotopically labeled metabolites, but has been largely restricted by coverage. Yet, de...

2022-06-16 | MTBLS3322 | MetaboLights
MetabolomicsIn silico derivatization and CCS value prediction improve interoperable semi-untargeted stable-isotope labeling analysis

Chemical derivatization can improve the detectability of analytically challenging compounds, but untargeted feature identification and annotation for chemically derivatized samples are limited by the availability of reference spectra. With the workflow presented in this manuscript, challenges ass...

2026-10-20 | MTBLS14808 | MetaboLights
MetabolomicsgeoRge: A Computational Tool To Detect the Presence of Stable Isotope Labeling in LC/MS-Based Untargeted Metabolomics
Studying the flow of chemical moieties through the complex set of metabolic reactions that happen in the cell is essential to understanding the alterations in homeostasis that occur in disease. Recently, LC/MS-based untargeted metabolomics and isotopically labeled metabolites have been used to facil...
2015-09-15 | MTBLS213 | MetaboLights
MetabolomicsIsotope tracing-based metabolite identification for mass spectrometry metabolomics

Modern mass spectrometry-based metabolomics is a key technology for biomedicine, enabling discovery and quantification of a wide array of biomolecules critical for human physiology. Yet, only a fraction of human metabolites have been structurally determined, and the majority of features in typica...

2025-08-15 | MTBLS12861 | MetaboLights
MetabolomicsPositional Enrichment by Proton Analysis (PEPA): a One-Dimensional 1H-NMR Approach for 13C Stable Isotope Tracer Studies in Metabolomics
A novel metabolomics approach for NMR-based stable isotope tracer studies called PEPA is presented, and its performance validated using human cancer cells. PEPA detects the position of carbon label in isotopically enriched metabolites and quantifies fractional enrichment by indirect determination of...
2017-02-23 | MTBLS247 | MetaboLights
MetabolomicsElucidation of xenoestrogen metabolism by non-targeted, stable isotope-assisted mass spectrometry in breast cancer cells

Environmental exposure to xenoestrogens, i.e., chemicals that imitate the hormone 17β-estradiol, has the potential to influence hormone homeostasis and action. Detailed knowledge of xenobiotic biotransformation processes in cell models is key when transferring knowledge learned from in vitro<...

2023-10-26 | MTBLS2716 | MetaboLights
MetabolomicsLC-MS-based isotope tracing data supporting cholesterol- and EA2-regulated fatty acid synthesis and tumor metabolic remodeling
This study contains LC-MS-based stable isotope tracing data investigating cholesterol- and EA2-regulated tumor metabolic remodeling. The dataset includes U-13C-glucose tracing in tumor cells and D2O tracing in animal models, supporting analysis of cholesterol-driven metabolic remodeling and the supp...
2026-10-03 | MTBLS14937 | MetaboLights
MetabolomicsTwo-Channel Chemical Isotope Labeling Metabolomics Analysis of Human Fecal Samples

Global metabolomics study of the amine and carboxyl submetabolomes of 16 human fecal samples.

2026-09-23 | MTBLS13531 | MetaboLights
MetabolomicsStable Isotope–Assisted Plant Metabolomics: Combination of Global and Tracer-Based Labeling for Enhanced Untargeted Profiling and Compound Annotation
Untargeted approaches and thus biological interpretation of metabolomics results are still hampered by the reliable assignment of the global metabolome as well as classification and (putative) identification of metabolites. In this work we present an liquid chromatography-mass spectrometry (LC-MS)-b...
2020-02-09 | MTBLS1217 | MetaboLights
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