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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
MetabolomicsNovel automated workflow for spectral alignment and mass calibration in MS imaging using a sputtered Ag nanolayer
Mass spectrometry imaging (MSI) is a technique that can map analyte spatial distribution directly onto a tissue section. This enables the spatial correlation of molecular entities with a tissue morphology to be investigated. Analyte annotation in MSI is intrinsically linked to the mass accuracy of t...
2022-01-20 | MTBLS587 | MetaboLights
MetabolomicsMetaDB a Data Processing Workflow in Untargeted MS-Based Metabolomics Experiments
This dataset reports the UPLC-QTof MS untargeted analysis of Vitis vinifera L. leaves, collected from Italy (Trentino) and Germany (Mecklenburg West-Pomerania), from two fungus-resistant grape varieties (PIWI), Regent and Phoenix. For each variety, 40 leaves were sampled from 10 plants (4 leaves/pla...
2014-11-09 | MTBLS137 | MetaboLights
MetabolomicsComputational workflow to study the seasonal variation of secondary metabolites in nine different bryophytes
In Eco-Metabolomics, non-model organisms are typically studied in their natural environment and relations are made between biochemistry and ecological function. Current challenges when processing such data involve, among others, complex ecological experiment designs, peak detection parameter setting...
2018-06-18 | MTBLS520 | 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
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
MetabolomicsStreamlining LC-MS/MS Data Analysis in R with Open-Source *xcms* and *RforMassSpectrometry*: An End-to-End Workflow

Despite untargeted LC-MS/MS data being a powerful approach for large-scale metabolomics analysis, a significant challenge in the field lies in the reproducible and efficient analysis of such data, in particular. The power of R-based analysis workflows lies in their high customizability and adapta...

2024-08-26 | MTBLS8735 | MetaboLights
MetabolomicsMetaboFIMS: An automated workflow for fast and sensitive metabolic screening of large patient cohorts
Development of a fully untargeted FI-MS processing pipeline.
2026-04-24 | MTBLS14362 | MetaboLights
MetabolomicsInfluence of Data-Processing Strategies on Normalized Lipid Levels using an Open-Source LC-HRMS/MS Lipidomics Workflow
Not available
ORGANISM(S): Homo sapiens 
ST001027 | MetabolomicsWorkbench
MetabolomicsAnalysis of the human adult urinary metabolome variations with age, body mass index and gender by implementing a comprehensive workflow for univariate and OPLS statistical analyses. ('Sacurine' data set)

Urine metabolomics is widely used for biomarker research in the fields of medicine and toxicology. As a consequence, characterization of the variations of the urine metabolome under basal conditions becomes critical in order to avoid confounding effects in cohort studies. Such physiological infor...

2017-01-20 | MTBLS404 | MetaboLights
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