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MetabolomicsA database of high-resolution MS/MS spectra for lichen metabolites

While analytical techniques in natural products research massively shifted to liquid chromatography-mass spectrometry, lichen chemistry remains reliant on limited analytical methods, Thin Layer Chromatography being the gold standard. To meet the modern standards of metabolomics within lichenochem...

2019-07-22 | MTBLS999 | MetaboLights
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
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
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
MetabolomicsImproving Metabolite Identification with DecoID for Database-Assisted Deconvolution of Metabolomic MS/MS Spectra

Chimeric MS/MS spectra contain fragments from multiple precursor ions and therefore hinder compound identification in metabolomics. Historically, deconvolution of these chimeric spectra has been challenging and relied upon specific experimental methods that introduce variation in the ratios of pr...

2021-04-29 | MTBLS2207 | 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
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