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MetabolomicsImproving global feature detectabilities through scan range splitting for untargeted metabolomics by high-performance liquid chromatography-Orbitrap mass spectrometry
Untargeted metabolomics aims at obtaining quantitative information on the highest possible number of low-molecular biomolecules present in a biological sample. Rather small changes in mass spectrometric spectrum acquisition parameters may have a significant influence on the detectabilities of metabo...
2016-06-09 | MTBLS233 | MetaboLights
MetabolomicsMetabolomic profiling of Campylobacter jejuni with resistance gene ermB by ultra-high performance liquid chromatography-quadrupole time-of-flight mass spectrometry and tandem quadrupole mass spectrometry
The metabolome changes of Campylobacter jejuni with resistant gene ermB remain unclear. Here, we described an untargeted metabolomic workflow based on ultra-high performance liquid chromatography-quadrupole time-of-flight mass spectrometry to investigate the metabolites perturbations mediated by erm...
2018-08-07 | MTBLS496 | MetaboLights
MetabolomicsAnnotation of the human adult urinary metabolome and metabolite identification using ultra high performance liquid chromatography coupled to a LTQ-Orbitrap mass spectrometer
This study deals with the annotation of the human adult urinary metabolome and metabolite identification from electrospray-mass spectrometry (ESI-MS) based metabolomics datasets. Metabolite identification was achieved using two complementary approaches: (i) formal identification by matching chromato...
2013-07-26 | MTBLS20 | MetaboLights
MetabolomicsUntargeted serum metabolomics of ulcerative colitis patients vs healthy subjects using ultra-high performance liquid chromatography-quadrupole time-of-flight mass spectrometry
Metabolic profiling of serum samples were performed on an Agilent 1290 infinity system (Agilent technologies, Santa-Clara, California, USA) coupled to an AB SCIEX Triple TOF 6600 System (AB SCIEX, Framingham, MA, USA) with an electrospray ion (ESI) source in both positive and negative ion modes. The...
2024-09-27 | MTBLS7438 | MetaboLights
MetabolomicsLiquid Chromatography-High-Resolution Mass Spectrometry-Based In Vitro Toxicometabolomics of the Synthetic Cathinones 4-MPD and 4-MEAP in Pooled Human Liver Microsomes
Synthetic cathinones belong to the most often seized new psychoactive substances on an international level. This study investigated the toxicometabolomics, particularly the in vitro metabolism of 2-(methylamino)-1-(4-methylphenyl)-1-pentanone (4-MPD) and 2-(ethylamino)-1-(4-methylphenyl)-1-pentanone...
2023-11-28 | MTBLS2218 | MetaboLights
Metabolomicsliquid chromatography-mass spectrometry
Bacterial cells harvested at peak enzyme activity were subjected to untargeted metabolomic profiling to evaluate metabolic changes during straw degradation compared to control (CK) groups. Samples were extracted using pre-chilled methanol–water (4:1, v/v) and analyzed on a UHPLC-Q Exactive HF-X syst...
2026-08-24 | MTBLS15412 | MetaboLights
MetabolomicsMetabolomic Profiling of Mice Serum during Toxoplasmosis Progression Using Liquid Chromatography-Mass Spectrometry
Better understanding of the molecular changes associated with disease is essential for identifying new routes to improved therapeutics and diagnostic tests. The aim of this study was to investigate the dynamic changes in the metabolic profile of mouse sera during T. gondii infection. We carried out ...
2017-01-25 | MTBLS216 | MetaboLights
MetabolomicsMetabolome analysis via an HPLC-ESI-MS-based experimental and computational pipeline for chronic nephron toxicity profiling
Untargeted metabolomics has the potential to improve the predictivity of in vitro toxicity models and therefore may aid the reduction of expensive and laborious animal models. Here we describe a chronic nephrotoxicity study conducted on a human renal proximal tubular epithelial cell line (RPTEC/TERT...
2015-09-07 | MTBLS140 | MetaboLights
MetabolomicsComparison of Full-Scan, Data-Dependent, and Data-Independent Acquisition Modes in Liquid Chromatography-Mass Spectrometry Based Untargeted Metabolomics
Full-scan, data-dependent acquisition (DDA), and data-independent acquisition (DIA) are the three common data acquisition modes in high resolution mass spectrometry-based untargeted metabolomics. It is an important yet underrated research topic on which acquisition mode is more suitable for a given ...
2020-05-21 | MTBLS1572 | MetaboLights
MetabolomicsImpact of collection conditions on the metabolite content of human urine samples as analyzed by liquid chromatography coupled to mass spectrometry and nuclear magnetic resonance spectroscopy (LC-MS assay)
There is a lack of comprehensive studies documenting the impact of sample collection conditions on metabolic composition of human urine. To address this issue, two experiments were performed at a three-month interval, in which midstream urine samples from healthy individuals were collected, pooled, ...
2014-12-18 | MTBLS148 | MetaboLights
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