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MetabolomicsAutomated, Parallel Mass Spectrometry Imaging and Structural Identification of Lipids
We report a method that enables automated data-dependent acquisition of lipid tandem mass spectrometry data in parallel with a high-resolution mass spectrometry imaging experiment. The method does not increase the total image acquisition time and is combined with automatic structural assignment. Thi...
2018-05-21 | MTBLS597 | MetaboLights
MetabolomicsCustomized Consensus Spectral Library Building for Untargeted Quantitative Metabolomics Analysis with Data Independent Acquisition Mass Spectrometry and MetaboDIA Workflow
Data independent acquisition-mass spectrometry (DIA-MS) coupled with liquid chromatography is a promising approach for rapid, automatic sampling of MS/MS data in untargeted metabolomics. However, wide isolation windows in DIA-MS generate MS/MS spectra containing a mixed population of fragment ions t...
2018-03-26 | MTBLS417 | MetaboLights
MetabolomicsMAVEN2: An Updated Open-Source Mass Spectrometry Exploration Platform

MAVEN, an open-source software program for analysis of LC-MS metabolomics data, was originally released in 2010. As mass spectrometry has advanced in the intervening years, MAVEN has been periodically updated to reflect this advancement. This manuscript describes a major update to the program, MA...

2024-07-22 | MTBLS3097 | MetaboLights
MetabolomicsFDR-controlled metabolite annotation for high-resolution imaging mass spectrometry imaging MS (LC-MS assay)
High-mass-resolution imaging mass spectrometry promises to localize hundreds of metabolites directly from tissues, cell cultures, and agar plates with cellular resolution, but is hampered by the lack of bioinformatics for automated metabolite identification. We developed the first bioinformatics fra...
2016-12-05 | MTBLS378 | MetaboLights
ProteomicsDIA data analysis with unambiguously determined precursor mass
Proteomics research today no longer simply seeks exhaustive protein identification; now, robust, large-scale quantitative information is sought. For this purpose, data-independent acquisition (DIA) has emerged as a promising strategy largely owing to the developments in advanced mass spectrometers a...
ORGANISM(S): Homo sapiens (Human) 
2019-08-19 | PXD012744 | Pride
Precursor mass Dia 
MetabolomicsInterorganelle lipid flux revealed by enzymatic mass tagging in vivo
The distinct activities of cellular organelles are dependent on the proper function of their membranes. Coordinated membrane biogenesis of the different organelles necessitates interorganelle transport of lipids from their site of synthesis to their destination membranes. Several proteins and traffi...
2022-03-22 | MTBLS3415 | 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
MetabolomicsComputational mass spectrometry accelerates C=C position-resolved untargeted lipidomics using oxygen attachment dissociation
Mass spectrometry-based untargeted lipidomics has revealed the lipidome atlas of living organisms at the molecular species level. Despite the double bond (C=C) position being a crucial factor for enzyme preference, cellular membrane milieu, and biological activity, the C=C defined structures have no...
2022-11-09 | MTBLS5861 | MetaboLights
MetabolomicsMass Spectrometry Imaging of Lipids in a Gut Epithelial Cell Model

Scope: The Caco2/HT29-MTX co-culture system is widely used as a cell model of the intestinal epithelium. Although the gut epithelium plays an important role in the uptake of free fatty acids and the resynthesis of triglycerides, the lipid distribution profile of the two-dimensional co-culture sys...

2025-06-14 | MTBLS12599 | MetaboLights
MetabolomicsMolecular networking coupled to high-resolution mass spectrometry fragmentation reveals a multitude of urinary antihypertensive drug metabolites
Mass spectrometry is the current technique of choice in studying drug metabolism. High-resolution mass spectrometry (HR-MS) in combination with fragment analysis (MS/MS) has the potential to contribute to rapid advances in this field. However, the data emerging from such fragmentation spectra pose c...
2016-05-23 | MTBLS307 | MetaboLights
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