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MetabolomicsAutomated, Parallel Mass Spectrometry Imaging and Structural Identification of Lipids
We report a method that enables automated data-dependent acquisition of lipid tandem mass spectrometry data in parallel with a high-resolution mass spectrometry imaging experiment. The method does not increase the total image acquisition time and is combined with automatic structural assignment. Thi...
2018-05-21 | MTBLS597 | MetaboLights
MetabolomicsHigh-Precision Automated Workflow for Urinary Untargeted Metabolomic Epidemiology
Urine is a non-invasive biofluid that is rich in polar metabolites and well-suited for metabolomic epidemiology. However, due to individual variability in health and hydration status, the physiological concentration of urine can differ >15-fold, which can pose major challenges in untargeted LC-MS me...
2021-06-10 | MTBLS2295 | 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
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
MetabolomicsDIAMetAlyzer allows automated false-discovery rate-controlled analysis for data-independent acquisition in metabolomics
The extraction of meaningful biological knowledge from high-throughput mass spectrometry data relies on limiting false discoveries to a manageable amount. For targeted approaches in metabolomics a main challenge is the detection of false positive metabolic features in the low signal-to-noise ranges ...
2022-09-05 | MTBLS1108 | MetaboLights
MetabolomicsTowards a semi-automated metabolic profile analysis of fish blood plasma by 1H NMR

Aquafeed is one of the main costs in aquaculture and major efforts are being made to find sustainable ingredients that could improve production sustainability and efficiency. Our research focused on the inclusion of glycerol in the feed of European seabass (Dicentrarchus labrax), as it is a cheap...

2022-02-14 | MTBLS1145 | MetaboLights
MetabolomicsAROMA-GC: Green Automated Plasma Metabolome Profiling

Metabolomics enables the comprehensive profiling of low–molecular weight metabolites that reflect the interplay between environmental exposures and endogenous biological processes. As the downstream output of genomic, transcriptomic, proteomic, and epigenomic networks, the metabolome provides the...

2026-08-24 | MTBLS13319 | MetaboLights
MetabolomicsAssessment of automated trimethylsilyl derivatisation protocols for GC-MS-based untargeted metabolomic analysis of urine
GC-MS is a commonly used metabolomic platform for the analysis of urine. A key step in the preparation of samples for GC-MS is derivatisation, in particular, methoximation and trimethylsilylation. This paper presents an assessment of automated derivatisation protocols for GC-MS-based untargeted meta...
2015-09-28 | MTBLS171 | MetaboLights
MetabolomicsExtension of Diagnostic Fragmentation Filtering for Automated Discovery in DNA Adductomics
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ORGANISM(S): - 
ST001661 | MetabolomicsWorkbench
MetabolomicsEcological adaptation and succession of human fecal microbial communities in an automated in vitro fermentation system
Longitudinal studies of gut microbiota following specific interventions are vital for understanding how they influence host health. However, robust longitudinal sampling of gut microbial communities is a major challenge, which can be addressed using in vitro fermenters hosting complex microbial comm...
2021-07-15 | MTBLS2531 | MetaboLights
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