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MetabolomicsStandardization procedures for real-time breath analysis by secondary electrospray ionization high-resolution mass spectrometry
Despite the attractiveness of breath analysis as a non-invasive means to retrieve relevant metabolic information, its introduction into routine clinical practice remains a challenge. Among all the different analytical techniques available to interrogate exhaled breath, secondary electrospray ionizat...
2020-01-11 | MTBLS842 | 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
MetabolomicsLiquid Chromatography-High-Resolution Mass Spectrometry-Based In Vitro Toxicometabolomics of the Synthetic Cathinones 4-MPD and 4-MEAP in Pooled Human Liver Microsomes
Synthetic cathinones belong to the most often seized new psychoactive substances on an international level. This study investigated the toxicometabolomics, particularly the in vitro metabolism of 2-(methylamino)-1-(4-methylphenyl)-1-pentanone (4-MPD) and 2-(ethylamino)-1-(4-methylphenyl)-1-pentanone...
2023-11-28 | MTBLS2218 | MetaboLights
MetabolomicsA high-resolution Orbitrap mass spectral library for trace volatile compounds in fruit wines
The overall aroma is an important factor of the sensory quality of fruit wines, which attributed to hundreds of volatile compounds. However, the qualitative determination of trace volatile compounds is considered to be very challenging work. GC-Orbitrap-MS with high resolution and high sensitivity p...
2022-08-12 | MTBLS3840 | MetaboLights
MetabolomicsExploring the Glucose Fluxotype of the E. coli y-ome Using High-Resolution Fluxomics
We have developed a robust workflow to measure high-resolution fluxotypes (metabolic flux phenotypes) for large strain libraries under fully controlled growth conditions. This was achieved by optimizing and automating the whole high-throughput fluxomics process and integrating all relevant software ...
2021-05-13 | MTBLS2188 | MetaboLights
MetabolomicsMetabolomic insights into the phytochemical profiles and seasonal shifts of Fucus serratus and F. vesiculosus harvested in Danish coastal waters (Aarhus Bay) – an untargeted high-resolution mass-spectrometry approach

This study investigated the year-round metabolomic variation in Fucus serratus (FS) and F. vesiculosus (FV) collected monthly from Danish costal water around Aarhus Bay. Untargeted high-resolution liquid chromatography-mass spectrometry profiling (LC-HRMS), combined with multivariate data analysi...

2025-10-23 | MTBLS13204 | MetaboLights
MetabolomicsLC-HRMS Metabolomics for Untargeted Diagnostic Screening in Clinical Laboratories: A Feasibility Study
Today's high-resolution mass spectrometers (HRMS) allow bioanalysts to perform untargeted/global determinations that can reveal unexpected compounds or concentrations in a patient’s sample. This could be performed for preliminary diagnosis attempts when usual diagnostic processes and targeted ...
2019-06-06 | MTBLS476 | 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
MetabolomicsLC-HRMS-Driven Computational Toolbox to Assess Extraction Protocols Dedicated to Untargeted Analysis: How to Ease Analyzing Pesticide-Contaminated Soils?
Metabolomics is a powerful approach that allows for high throughput analysis and the acquisition of large biochemical data. Nonetheless, it still faces several challenging requirements, such as the development of optimal extraction and analytical methods able to respond to its high qualitative and q...
2025-01-28 | MTBLS2044 | MetaboLights
MetabolomicsComparison of Full-Scan, Data-Dependent, and Data-Independent Acquisition Modes in Liquid Chromatography-Mass Spectrometry Based Untargeted Metabolomics
Full-scan, data-dependent acquisition (DDA), and data-independent acquisition (DIA) are the three common data acquisition modes in high resolution mass spectrometry-based untargeted metabolomics. It is an important yet underrated research topic on which acquisition mode is more suitable for a given ...
2020-05-21 | MTBLS1572 | MetaboLights
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