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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
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
MetabolomicsFDR-controlled metabolite annotation for high-resolution imaging mass spectrometry imaging MS (MALDI imaging 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...
2017-04-10 | MTBLS313 | MetaboLights
MetabolomicsFDR-controlled metabolite annotation for high-resolution imaging mass spectrometry - simulated Imaging MS (Imaging simulation 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 | MTBLS317 | 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
MetabolomicsCollected mass spectrometry data on monoterpene indole alkaloids from natural product chemistry research
MIADB: a cumulative collection of 172 tandem mass spectrometry (MS/MS) of a vast array of monoterpene indole alkaloids. Samples were analyzed using an Agilent LC-MS system composed of an Agilent 1260 Infinity HPLC coupled to an Agilent 6530 ESI-Q-TOF-MS operating in positive mode. A Sunfire analytic...
2018-12-03 | MTBLS142 | 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
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
MetabolomicsComprehensive High-Resolution Multiple-Reaction Monitoring Mass Spectrometry for Targeted Eicosanoid Assays
Eicosanoids comprise a class of bioactive lipids derived from a unique group of essential fatty acids that mediate a variety of important physiological functions. Owing to the structural diversity of these lipids, their analysis in biological samples is often a major challenge. Advancements in mass ...
2018-06-26 | MTBLS641 | MetaboLights
MetabolomicsEvaluation of ambient mass spectrometry tools for assessing inherent postharvest pepper quality

Horticulturists are interested in evaluating how cultivar, environment, or production system inputs can affect postharvest quality. Ambient mass spectrometry approaches enable analysis of minimally processed samples under ambient conditions and offer an attractive high-throughput alternative for ...

2022-03-04 | MTBLS2587 | MetaboLights
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