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MetabolomicsPublic LC-Orbitrap-MS/MS Spectral Library for Metabolite Identification

Liquid chromatography-mass spectrometry (LC-MS)-based untargeted metabolomics studies require high-quality spectral libraries for reliable metabolite identification. We have constructed EMBL-MCF (European Molecular Biology Laboratory-Metabolomics Core Facility), an open LC-MS/MS spectral library ...

2020-09-28 | MTBLS1861 | MetaboLights
MetabolomicsHigh-Throughput Detection of an Alkaloidal Plant Metabolome in Plant Extracts Using LC-ESI-QTOF-MS.
Plant alkaloids represent a diverse group of nitrogen-containing natural products. These compounds are considered valuable in drug discovery and development. High-throughput identification of such plant secondary metabolites in complex plant extracts is essential for drug discovery, lead optimizatio...
2023-12-12 | MTBLS2914 | MetaboLights
MetabolomicsA Python-based pipeline for preprocessing LC-MS data for untargeted metabolomics workflows
Preprocessing data in a reproducible and robust way is one of the current challenges in untargeted metabolomics workflows. Data curation in liquid chromatography-mass spectrometry (LC-MS) involves the removal of unwanted features (retention time; m/z pairs) to retain only high-quality data for subse...
2020-11-21 | MTBLS1919 | 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
MetabolomicsUntargeted Metabolomics of Mouse Platelet Pellets by LC-MS/MS
In this study, platelet pellets were isolated from mouse peripheral blood through gradient centrifugation to obtain high-purity platelet samples. Liquid chromatography-tandem mass spectrometry (LC-MS/MS)-based untargeted metabolomics was performed to comprehensively profile the global metabolic chan...
2026-08-04 | MTBLS15244 | MetaboLights
MetabolomicsUntargeted LC-MS/MS metabolomics of ovary, oviduct fluid, and serum from dogs supplemented with folic acid
This dataset contains untargeted metabolomic profiles of canine ovary, oviduct fluid, and serum samples collected from control and folic acid (FA)-supplemented groups. LC-MS/MS metabolomics was performed in both positive and negative ionization modes to characterize metabolic alterations associated ...
2026-09-07 | MTBLS15493 | MetaboLights
MetabolomicsComprehensive lipid analysis of green Arabica coffee beans by LC-HRMS/MS
Lipids play an important role in coffee bean development, coffee brew and in the effects of coffee on human health. They account for around 17% of the dry bean weight and encompass different classes and subclasses, mostly triacylglycerols (TAG) and a minor quantity of phospholipids (PL) and βN-alkan...
2021-11-19 | MTBLS1972 | MetaboLights
MetabolomicsHuman age-declined saliva metabolic markers determined by LC-MS

Metabolites in human biofluids reflect individual physiological body states influenced by various factors. Using liquid chromatography-mass spectrometry (LC-MS), we conducted non-targeted, non-invasive, comprehensive metabolomics using saliva of 27 healthy volunteers in Okinawa, consisting of 13 ...

2021-02-11 | MTBLS2108 | MetaboLights
MetabolomicsMetabolic Drug Response Phenotyping in Colorectal Cancer Organoids by LC-QTOF-MS
As metabolic rewiring is crucial for cancer cell proliferation, metabolic phenotyping of patient-derived organoids is desirable to identify drug-induced changes and trace metabolic vulnerabilities of tumor subtypes. We established a novel protocol for metabolomic and lipidomic profiling of colorecta...
2021-10-12 | MTBLS2130 | 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
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