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MetabolomicsFDR-controlled metabolite annotation for high-resolution imaging mass spectrometry imaging MS (LC-MS assay)
High-mass-resolution imaging mass spectrometry promises to localize hundreds of metabolites directly from tissues, cell cultures, and agar plates with cellular resolution, but is hampered by the lack of bioinformatics for automated metabolite identification. We developed the first bioinformatics fra...
2016-12-05 | MTBLS378 | MetaboLights
MetabolomicsComprehensive High-Resolution Multiple-Reaction Monitoring Mass Spectrometry for Targeted Eicosanoid Assays
Eicosanoids comprise a class of bioactive lipids derived from a unique group of essential fatty acids that mediate a variety of important physiological functions. Owing to the structural diversity of these lipids, their analysis in biological samples is often a major challenge. Advancements in mass ...
2018-06-26 | MTBLS641 | MetaboLights
MetabolomicsHighly sensitive feature detection for high resolution LC/MS

BACKGROUND: Liquid chromatography coupled to mass spectrometry (LC/MS) is an important analytical technology for e.g. metabolomics experiments. Determining the boundaries, centres and intensities of the two-dimensional signals in the LC/MS raw data is called feature detection. Fo...

2020-01-15 | MTBLS1430 | 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
MetabolomicsLipidHunter Identifies Phospholipids by High-Throughput Processing of LC-MS and Shotgun Lipidomics Datasets (Rat cardiomyocyte assay)
Lipids are dynamic constituents of biological systems, rapidly responding to any changes in physiological conditions. Thus, there is a large interest in lipid-derived markers for diagnostic and prognostic applications, especially in translational and systems medicine research. As lipid identificatio...
2018-07-31 | MTBLS483 | MetaboLights
MetabolomicsHigh-throughput carotenoid profiling using multivariate curve resolution (Stability of isoprenoids in grape extract)
We present automated data analysis of high throughput high-performance liquid chromatography with diode array detection (HPLC-DAD) data using multivariate curve resolution. This technique provides spectra and elution profiles of all UV-Vis active compounds present in the mixture. The specifics of us...
2014-07-01 | MTBLS85 | MetaboLights
MetabolomicsA database of high-resolution MS/MS spectra for lichen metabolites

While analytical techniques in natural products research massively shifted to liquid chromatography-mass spectrometry, lichen chemistry remains reliant on limited analytical methods, Thin Layer Chromatography being the gold standard. To meet the modern standards of metabolomics within lichenochem...

2019-07-22 | MTBLS999 | MetaboLights
MetabolomicsDeep insights into microsampling technologies for global lipidomic profiling of human whole blood using high-throughput LC-MS

In recent years, blood microsampling (BμS) technologies have gained popularity, as they offer simplicity, minimal invasiveness, and suitability for remote sample collection. In this study, the aim was to explore the potential of three BμS devices for reliable untargeted lipidomic profiling using ...

2025-09-30 | MTBLS10722 | MetaboLights
MetabolomicsAlignment of multiple metabolomics LC-MS datasets from disparate diseases to reveal fever-associated metabolites

Acute febrile illnesses are still a major cause of mortality and morbidity globally, particularly in low to middle income countries. The aim of this study was to determine any possible metabolic commonalities of patients infected with disparate pathogens that cause fever. Three liquid chromatogra...

2023-07-17 | MTBLS4895 | MetaboLights
MetabolomicsUntargeted LC-MS metabolomics for the analysis of micro-scaled extracellular metabolites from hepatocytes
Metabolome analysis in micro physiological models is a challenge due to the low volume of cell culture medium (CCM). Here, we report a LC-MS-based untargeted metabolomics protocol for the detection of hepatocyte extracellular metabolites from micro-scale samples of CCM. Using a single LC-MS method w...
2021-01-04 | MTBLS1794 | MetaboLights
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