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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
MetabolomicsMatrix Effect on Chemical Isotope Labeling and Its Implication in Metabolomic Sample Preparation for Quantitative Metabolomics
Matrix effect from various constituents in biological samples can reduce the accuracy of quantitative metabolomics. Differential chemical isotope labeling liquid chromatography mass spectrometry (CIL LC-MS) can overcome the matrix effect on MS detection based on measuring the intensity ratios of met...
2015-07-01 | MTBLS194 | MetaboLights
MetabolomicsLC-MS/MS Quantification of Nuclear α-KG in NSCLC
This study contains targeted LC-MS/MS quantification of α-ketoglutarate (α-KG) in NSCLC cells using 13C-labeled α-KG internal standard. Nuclear α-KG levels were measured in A549, A549/DTX, PC9, and PC9/OR cells. In addition, nuclear α-KG was quantified in GLUD1-overexpressing A549 cells and GLUD1-kn...
2026-07-21 | MTBLS15115 | MetaboLights
MetabolomicsA Comprehensive and Ultrasensitive Isotope Calibration Method for Soil Amino Compounds Using Orbitrap Mass Spectrometry
Bound amino compounds (amino acid and amino sugar polymers) comprise a significant proportion (~40%) of soil organic nitrogen and therefore represent an essential source of nitrogen for plant and microbial nutrition. The analysis of their content and isotope enrichment still represents a significant...
2025-06-16 | MTBLS12550 | MetaboLights
MetabolomicsAutomated Label-free Quantification of Metabolites from Liquid Chromatography–Mass Spectrometry Data (Simulated)

Liquid chromatography coupled to mass spectrometry (LC-MS) has become a standard technology in metabolomics. In particular, label-free quantification based on LC-MS is easily amenable to large-scale studies and thus well suited to clinical metabolomics. Large-scale studies, however, require autom...

2015-12-16 | MTBLS235 | MetaboLights
MetabolomicsAutomated Label-free Quantification of Metabolites from Liquid Chromatography–Mass Spectrometry Data (Plasma)

Liquid chromatography coupled to mass spectrometry (LC-MS) has become a standard technology in metabolomics. In particular, label-free quantification based on LC-MS is easily amenable to large-scale studies and thus well suited to clinical metabolomics. Large-scale studies, however, require autom...

2015-12-16 | MTBLS234 | 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
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
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
MetabolomicsA combined direct infusion/reversed phase chromatography – high resolution mass spectrometry workflow for accurate absolute lipid quantification with 13C- internal standards
We propose a fully automated novel workflow for lipidomics based on flow injection, followed by liquid chromatography-high-resolution mass spectrometry (FI/LC-HRMS). The workflow combined in-depth characterization of the lipidome achieved via reversed-phase LC-HRMS with absolute quantification by us...
2021-07-01 | MTBLS1876 | MetaboLights
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