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MetabolomicsLC-HRMS Metabolomics for Untargeted Diagnostic Screening in Clinical Laboratories: A Feasibility Study
Today's high-resolution mass spectrometers (HRMS) allow bioanalysts to perform untargeted/global determinations that can reveal unexpected compounds or concentrations in a patient’s sample. This could be performed for preliminary diagnosis attempts when usual diagnostic processes and targeted ...
2019-06-06 | MTBLS476 | MetaboLights
MetabolomicsLC-HRMS-Driven Computational Toolbox to Assess Extraction Protocols Dedicated to Untargeted Analysis: How to Ease Analyzing Pesticide-Contaminated Soils?
Metabolomics is a powerful approach that allows for high throughput analysis and the acquisition of large biochemical data. Nonetheless, it still faces several challenging requirements, such as the development of optimal extraction and analytical methods able to respond to its high qualitative and q...
2025-01-28 | MTBLS2044 | MetaboLights
MetabolomicsUntargeted LC-HRMS approaches combined with feature-based molecular networking to annotate reaction markers in processed foods

The rising consumption of ultra-processed foods (UPFs), linked to multiple health risks, underscores the need to characterise the chemical profile of formulated and processed goods to improve their quality and safety. This study aims to develop untargeted approaches based on LC-HRMS and LC-HRMS/M...

2025-11-12 | MTBLS12279 | MetaboLights
MetabolomicsCharacterization of Constituents with Potential Anti-Inflammatory Activity in Chinese Lonicera Species by UHPLC-HRMS Based Metabolite Profiling
This study centered on detecting potentially anti-inflammatory active constituents in ethanolic extracts of Chinese Lonicera species by taking an UHPLC-HRMS-based metabolite profiling approach. Extracts from eight different Lonicera species were subjected to both UHPLC-HRMS analysis and to pharmacol...
2022-11-17 | MTBLS3112 | MetaboLights
MetabolomicsTrapped ion mobilty improves annotation accuracy in LC-HRMS screening applications for exposomics

The widespread use of a large number of chemicals results in a significant exposure of humans and the environment, posing potential risks to human health and ecosystems. To assess the exposure to chemical mixtures, screening applications covering a large number of analytes based on liquid chromat...

2025-10-14 | MTBLS11753 | 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
MetabolomicsUntargeted LC-HRMS Based-Plasma Metabolomics Reveals 3-O-Methyldopa as a New Biomarker of Poor Prognosis in High-Risk Neuroblastoma
Neuroblastoma (NB) is the most common extracranial malignant tumor in children. Although the survival rate of NB has improved over the years, the outcome of NB still remains poor for over 30% of cases. A more accurate risk stratification remains a key point in the study of NB and the availability of...
2023-07-14 | MTBLS4294 | MetaboLights
MetabolomicsUse of UHPLC-HRMS to profile the metabolites from the serum of breast cancer patients

Breast cancer (BC) is the most common malignancy and the leading cause of cancer-related mortality in women worldwide. As such exploring the metabolic changes during human breast carcinogenesis is important for developing disease prevention methods and treatments. In the present study, non-target...

2024-02-13 | MTBLS8920 | MetaboLights
MetabolomicsUntargeted food contaminant detection using UHPLC-HRMS combined with multivariate analysis: Feasibility study on tea (Dataset 2 - Validation)
Powerful data pretreatment strategies inspired from the field of metabolomics were adapted to chemical food safety context to enable samples discrimination by multivariate methods based on low abundance ions. A highly automated workflow was produced. The open-source XCMS package was used and efficie...
2018-10-26 | MTBLS754 | MetaboLights
MetabolomicsUntargeted food contaminant detection using UHPLC-HRMS combined with multivariate analysis: Feasibility study on tea (Dataset 1 - Development)
Powerful data pretreatment strategies inspired from the field of metabolomics were adapted to chemical food safety context to enable samples discrimination by multivariate methods based on low abundance ions. A highly automated workflow was produced. The open-source XCMS package was used and efficie...
2018-10-26 | MTBLS752 | MetaboLights
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