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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
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
MetabolomicsLC-MS/MS Quantification of Nuclear α-KG in NSCLC
This study contains targeted LC-MS/MS quantification of α-ketoglutarate (α-KG) in NSCLC cells using 13C-labeled α-KG internal standard. Nuclear α-KG levels were measured in A549, A549/DTX, PC9, and PC9/OR cells. In addition, nuclear α-KG was quantified in GLUD1-overexpressing A549 cells and GLUD1-kn...
2026-07-21 | MTBLS15115 | 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
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
MetabolomicsLC-MS/MS metabolomics unravels the resistant phenotype of carbapenemase-producing Enterobacteriaceae

Introduction: The degree of antimicrobial resistance demonstrated by carbapenemase-producing Enterobacteriaceae (CPE) represents a growing public health challenge. Conventional methods for detecting CPE involve culture-based techniques with lengthy incubation steps. There is a ne...

2025-08-04 | MTBLS10129 | MetaboLights
MetabolomicsLC-MS/MS-based targeted metabolomics profiling of central carbon metabolites in Candida albicans SC5314 under control and treatment conditions
Targeted LC-MS/MS metabolomics was performed to profile central carbon and related metabolites in Candida albicans SC5314. Six samples from control and treatment groups were analyzed using UPLC-QTRAP 6500+ in scheduled MRM mode. Data were quantified with MultiQuant and analyzed using PCA, OPLS-DA, d...
2026-07-08 | MTBLS14973 | MetaboLights
MetabolomicsOrgan-Resolved Untargeted LC-MS/MS Profiling of Putative Metabolite Families in Aerial Organs of Vitex negundo L

Background/Objectives: Vitex negundo L. is a multi-part medicinal and aromatic plant, but organ-resolved chemical information for its aerial organs remains incomplete. This study generated an exploratory paired untargeted liquid chromatography–tandem mass spectrometry (LC-MS/MS) dataset for flowe...

2026-09-13 | MTBLS15653 | MetaboLights
MetabolomicsMetabolomic Reprogramming Induced by Conjugative Acquisition of Carbapenemase-producing IncX3 Plasmid Revealed by Untargeted LC-MS/MS Profiling

This study aimed to elucidate the metabolic process of IncX3 plasmid within conjugated strains, by utilizing untargeted LC-MS/MS profiling. In this study, the blaNDM-5-carrying IncX3 plasmid was successfully conjugated into Escherichia coli J53, which was confirmed to enhance both carbap...

2026-09-27 | MTBLS13918 | MetaboLights
MetabolomicsLC-MS/MS targeted analysis of ferroptosis-associated phospholipid peroxidation in KIF11-depleted HRECs

Human retinal vascular endothelial cells (HRECs) were transfected with lentivirus encoding either KIF11-targeting shRNA or a non-targeting control. KIF11-depleted and control cells were then subjected to lipid extraction followed by LC–MS/MS–based targeted analysis of ferroptosis-associated phosp...

2026-02-13 | MTBLS12912 | MetaboLights
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