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MetabolomicsMass spectrometry based metabolomics for in vitro systems pharmacology: Pitfalls, challenges, and computational solutions

INTRODUCTION: Mass spectrometry based metabolomics has become a promising complement and alternative to transcriptomics and proteomics in many fields including in vitro systems pharmacology. Despite several merits, metabolomics based on liquid chromatography mass spectrometry (LC...

2017-08-23 | MTBLS401 | MetaboLights
MetabolomicsUltra-High Mass Resolving Power, Mass Accuracy, and Dynamic Range MALDI Mass Spectrometry Imaging by 21-T FT-ICR MS

Detailed characterization of complex biological surfaces by matrix-assisted laser desorption/ionization (MALDI) mass spectrometry imaging (MSI) requires instrumentation that is capable of high mass resolving power, mass accuracy and dynamic range. Fourier transform ion cyclotron resonance mass sp...

2022-01-28 | MTBLS3154 | MetaboLights
MetabolomicsMonitoring recombinant protein expression in bacteria by rapid evaporative ionisation mass spectrometry

RATIONALE: There is increasing interest in methods of direct analysis mass spectrometry that bypass complex sample preparation steps.

METHODS: One of the most interesting new ionisation methods is rapid evaporative ionisation mass spectrometry (REIMS) in wh...

2022-01-28 | MTBLS957 | MetaboLights
MetabolomicsCombining peak- and chromatogram-based retention time alignment algorithms for multiple chromatography-mass spectrometry datasets
Spring wheat (Triticum aestivum L.) was grown in a free-air carbon dioxide (CO2) enrichment (FACE) field experiment. Grain and biomass yield and its components were determined at maturity and the grain metabolome was analysed by gas chromatography-mass spectrometry (GC-MS) for elevated and ambient C...
2012-09-21 | MTBLS21 | MetaboLights
MetabolomicsmassPix: An R package for annotation and interpretation of mass spectrometry imaging data for lipidomics
Mass spectrometry imaging (MSI) experiments result in complex multi-dimensional datasets, which require specialist data analysis tools. Here we have developed massPix - an R package for analysing and interpreting data from MSI of lipids in tissue. MassPix is an open-source tool for the analysis and ...
2017-08-31 | MTBLS487 | MetaboLights
MetabolomicsCustomized Consensus Spectral Library Building for Untargeted Quantitative Metabolomics Analysis with Data Independent Acquisition Mass Spectrometry and MetaboDIA Workflow
Data independent acquisition-mass spectrometry (DIA-MS) coupled with liquid chromatography is a promising approach for rapid, automatic sampling of MS/MS data in untargeted metabolomics. However, wide isolation windows in DIA-MS generate MS/MS spectra containing a mixed population of fragment ions t...
2018-03-26 | MTBLS417 | MetaboLights
MetabolomicsAnalysis of 3274 bacterial isolates by rapid evaporative ionisation mass spectrometry (REIMS)

Analysis of bacterial composition using rapid evaporative ionisation mass spectrometry (REIMS) allows for the detection of metabolites that may be considered specific to particular taxons. This database of 3274 isolates covering gram positive and negative bacteria across 5 phyla, 12 classes, 24 o...

2025-06-13 | MTBLS10328 | MetaboLights
MetabolomicsProMetIS, deep phenotyping of mouse models by combined proteomics and metabolomics analysis

Genes are pleiotropic and getting a better knowledge of their function requires a comprehensive characterization of their mutants. Here, we generated multi-level data combining phenomic, proteomic and metabolomic acquisitions from plasma and liver tissues of two C57BL/6 N mouse models lacking the...

2021-09-01 | MTBLS1903 | MetaboLights
MetabolomicsDESI mass spectrometry imaging of murine tissues

DESI-MS imaging results of a murine colorectal tumour tissue, a murine jejunum tissue and a Helicobacter pylori-infected murine stomach tissue are available. Data were all obtained under negative ion mode. Corresponding H&E staining results can be found in the associated publication

2025-07-10 | MTBLS10846 | MetaboLights
MetabolomicsMarine metabolomics: measurement of metabolites in seawater by gas chromatography mass spectrometry (Cell culture sampling)

One of the major bottlenecks in describing marine ecosystems is characterizing the metabolome of seawater, as salt prevents metabolite analysis. We present SeaMet, a method that can detect hundreds of metabolites in less than one ml of seawater and quantifies them down to nano-molar levels using ...

2019-11-15 | MTBLS843 | MetaboLights
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