Sort   by:  
 Page size 
MetabolomicsDirect infusion mass spectrometry metabolomics dataset: a benchmark for data processing and quality control
Direct-infusion mass spectrometry (DIMS) metabolomics is an important approach for characterising molecular responses of organisms to disease, drugs and the environment. Increasingly large-scale metabolomics studies are being conducted, necessitating improvements in both bioanalytical and computatio...
2022-05-16 | MTBLS79 | MetaboLights
MetabolomicsData processing, multi-omic pathway mapping, and metabolite activity analysis using XCMS Online

Systems biology is the study of complex living organisms, and as such, analysis on a systems-wide scale involves the collection of information-dense data sets that are representative of an entire phenotype. To uncover dynamic biological mechanisms, bioinformatics tools have become essential to fa...

2017-11-23 | MTBLS572 | 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
MetabolomicsComprehensive evaluation of untargeted metabolomics data processing software in feature detection, quantification and discriminating marker selection
Data analysis represents a key challenge for untargeted metabolomics studies and it commonly requires extensive processing of more than thousands of metabolite peaks included in raw high-resolution MS data. Although a number of software packages have been developed to facilitate untargeted data proc...
2019-11-19 | MTBLS733 | MetaboLights
MetabolomicsComprehensive evaluation of untargeted metabolomics data processing software in feature detection, quantification and discriminating marker selection (AB SCIEX TripleTOF 6600 assay)

Data analysis represents a key challenge for untargeted metabolomics studies and it commonly requires extensive processing of more than thousands of metabolite peaks included in raw high-resolution MS data. Although a number of software packages have been developed to facilitate untargeted data p...

2019-11-19 | MTBLS736 | MetaboLights
MetabolomicsSoftware tool for internal standard based normalization of lipids, and effect of data-processing strategies on resulting values

BACKGROUND: Lipidomics, the comprehensive measurement of lipids within a biological system or substrate, is an emerging field with significant potential for improving clinical diagnosis and our understanding of health and disease. While lipids diverse biological roles contribute ...

2022-05-17 | MTBLS710 | MetaboLights
MetabolomicsMetabolomics uncovers the dual effects of high-pressure and ultra-shear processing in juice
This study investigated the chemical changes in a blended fruit and vegetable juice induced by innovative food processing technologies - high-pressure processing (HPP; 400 MPa, 40oC) and ultra-shear technology (UST; 400 MPa, 40 and 72 °C) - in comparison to conventional thermal treatments at 40 and ...
2025-06-25 | MTBLS12637 | MetaboLights
MetabolomicsImproving the Screening Analysis of Pesticide Metabolites in Human Biomonitoring by Combining High-Throughput In Vitro Incubation and Automated LC-HRMS Data Processing
There is a current need to monitor human exposure to a large number of pesticides and other chemicals of emerging concern (CECs). This requires screening analysis with high confidence for these compounds and their metabolites in complex matrices, which is hampered by the fact that no reference stand...
2022-01-17 | MTBLS2402 | 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
MetabolomicsThe metabolite changes of Wolfberry (Lycium.) tea in different processing stages

Wolfberry (Lycium.) tea has a long history of consumption in China and is an important cash crop. Wolfberry tea can be made through five processes: picking, withering, fixation, stir-firing and extracting fragrance, which will correspond to the FWB, WWS, FWS, SFWS and EFWS groups, respectively. T...

2026-04-08 | MTBLS11550 | MetaboLights
Sort   by:  
 Page size