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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
MetabolomicsDevelopment and validation of a liquid chromatography-electrospray ionization-time-of-flight mass spectrometry method for induced changes in Nicotiana attenuata leaves during simulated herbivory
Metabolite profiling of herbivory-induced changes in Nicotiana attenuata was used to construct a correlation-weighted network to visualize intra- and inter-compound spectra relationships from individual mass features, and to annotate 12 major network hubs, including 4 O-acyl sugars and 6 17-hydroxyg...
2012-08-14 | MTBLS10 | MetaboLights
MetabolomicsComprehensive profiling of semi‐polar phytochemicals in whole wheat grains (Triticum aestivum) using liquid chromatography coupled with electrospray ionization quadrupole time-of-flight mass spectrometry

INTRODUCTION: Wheat (Triticum aestivum) it is one of the most important staple food crops worldwide and represents an important resource for human nutrition. Besides starch, proteins and micronutrients wheat grains accumulate a highly diverse set of phytochemicals.

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2024-05-01 | MTBLS2276 | MetaboLights
MetabolomicsDesorption electrospray ionisation mass spectrometry imaging of esophageal lymph mode metastases
Lymph node metastases (LNM) and primary tumour samples were analysed using desorption electrospray ionisation mass spectrometry imaging (DESI MSI). Current assessment of LNM depends on subjective histopathological assessment, whereas analysis by DESI MSI permits an entirely objective assessment. The...
2017-01-10 | MTBLS385 | MetaboLights
MetabolomicsMetabolic phenotyping of ex-vivo breast samples by DESI mass spectrometry imaging
This study involves the analysis of surgically resected samples from patients undergoing breast surgery. The samples published here have been used as part of the publication by [1], and all experimental details can be found within. Desorption electrospray ionisation mass spectrometry imaging (DESI M...
2016-04-28 | MTBLS273 | MetaboLights
MetabolomicsBenchmark datasets for 3D MALDI- and DESI-Imaging Mass Spectrometry
Three-dimensional imaging mass spectrometry (3D imaging MS) is a technique of analytical chemistry for 3D molecular analysis of a tissue specimen, entire organ, or microbial colonies on an agar plate. 3D imaging MS has unique advantages over existing 3D imaging techniques, offers novel perspectives ...
2016-07-27 | MTBLS176 | 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
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
MetabolomicsUltra-High Mass Resolving Power, Mass Accuracy, and Dynamic Range MALDI Mass Spectrometry Imaging by 21-T FT-ICR MS

Detailed characterization of complex biological surfaces by matrix-assisted laser desorption/ionization (MALDI) mass spectrometry imaging (MSI) requires instrumentation that is capable of high mass resolving power, mass accuracy and dynamic range. Fourier transform ion cyclotron resonance mass sp...

2022-01-28 | MTBLS3154 | MetaboLights
Metabolomics3D DESI mass spectrometry imaging of 51 serial sections from a human liver metastasis
51 serial sections from a single human liver metastasis are made available in this dataset. Four neighbouring sections were placed on a single slide and analysed together. The tissue sections were analysed by desorption electrospray ionisation mass spectrometry imaging (DESI-MSI) according to the pr...
2016-04-28 | MTBLS282 | MetaboLights
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