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MetabolomicsSeawater Analysis by Ambient Mass Spectrometry-Based Seaomics

A transmission mode-direct analysis in real time-quadrupole time of flight-mass spectrometry (TM-DART-QTOF-MS)-based analytical method coupled to multivariate statistical analysis was developed to interrogate lipophilic compounds in seawater samples without the need of desalin...

2020-05-19 | MTBLS1198 | MetaboLights
MetabolomicsMass spectrometry data of metabolomics analysis of Nepenthes pitchers
Hybridisation plays a significant role in the evolution and diversification of plants. Hybridisation among Nepenthes species is extensive, either naturally or man-made. To investigate the effects of hybridisation on the chemical compositions, we carried out metabolomics study on pitcher tissue of Ne...
2018-07-31 | MTBLS484 | MetaboLights
MetabolomicsAnalysis of colorectal adenocarcinoma tissue samples by DESI mass spectrometry imaging
Ex vivo colorectal adenocarcinoma samples were analysed by desorption electrospray ionisation using an Orbitrap mass spectrometer. The samples were analysed in negative mode over the m/z range 600-1000. Some of the samples presented in this dataset were analysed as part of [1]. The study makes avail...
2016-04-28 | MTBLS289 | MetaboLights
MetabolomicsAnalysis of 3274 bacterial isolates by rapid evaporative ionisation mass spectrometry (REIMS)

Analysis of bacterial composition using rapid evaporative ionisation mass spectrometry (REIMS) allows for the detection of metabolites that may be considered specific to particular taxons. This database of 3274 isolates covering gram positive and negative bacteria across 5 phyla, 12 classes, 24 o...

2025-06-13 | MTBLS10328 | MetaboLights
MetabolomicsMassVision: An open-source end-to-end platform for AI-driven mass spectrometry image analysis

This dataset contains 10 Desorption Electrospray Ionization Mass Spectrometry Imaging (DESI-MSI) slides from cross-sections of surgically resected colorectal tissues with cancer and adjacent normal. The data is released with MassVision software platform for exploration and analysis of MSI data. P...

2025-09-19 | MTBLS12868 | MetaboLights
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
MetabolomicsCoupling between high-resolution mass spectrometry and focalized data-analysis methods provides the identification of new putative glycosidic non-anthocyanic flavonoids in grape

INTRODUCTION: The biochemical diversity of flavonoids is based on glycosylation, methylation, acylation, and many other modifications of the flavonoid backbone. Liquid chromatography coupled to high-resolution mass spectrometry demonstrated to be a powerful approach to gain new i...

2022-06-29 | MTBLS4202 | MetaboLights
MetabolomicsStandardization procedures for real-time breath analysis by secondary electrospray ionization high-resolution mass spectrometry
Despite the attractiveness of breath analysis as a non-invasive means to retrieve relevant metabolic information, its introduction into routine clinical practice remains a challenge. Among all the different analytical techniques available to interrogate exhaled breath, secondary electrospray ionizat...
2020-01-11 | MTBLS842 | 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
MetabolomicsRapid chromatography combined with trapped ion mobility mass spectrometry for analysis of derivatized small molecules
Liquid chromatography (LC) separates biomolecules based on their physicochemical properties. Reproducible retention times support compound identification, while efficient separation of structurally similar compounds is essential for accurate quantification. However, conventional LC methods are often...
2026-06-30 | MTBLS14813 | MetaboLights
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