Related Experiment Video
Updated: Feb 3, 2026

Mass Spectrometric Approaches to Study Protein Structure and Interactions in Lyophilized Powders
Published on: April 14, 2015
UltraMassExplorer: a browser-based application for the evaluation of high-resolution mass spectrometric data
Tim Leefmann1, Stephan Frickenhaus1,2,3, Boris P Koch1,2
1Alfred-Wegener-Institut Helmholtz-Zentrum für Polar- und Meeresforschung, Am Handelshafen 12, 27570, Bremerhaven, Germany.
Rationale:
High-resolution mass spectrometry (HRMS) with high sample throughput has become an important analytical tool for the analysis of highly complex samples and data processing has become a major challenge for the user community. Evaluating direct-infusion HRMS data without automated tools for batch processing can be a time-consuming step in the analytical pipeline. Therefore, we developed a new browser-based software tool for processing HRMS data.
Methods:
The software, named UltraMassExplorer (UME), was written in the R programming language using the shiny library to build the graphical user interface. The performance of the integrated formula library search algorithm was tested using HRMS data derived from analyses of up to 50 extracts of marine dissolved organic matter.
Results:
The software supports the processing of lists of calibrated masses of neutral, protonated or deprotonated molecules, with masses of up to 700 Da and a mass accuracy <3 ppm. In the performance test, the number of assigned peaks per second increased with the number of submitted peaks and reached a maximum rate of 4745 assigned peaks per second.
Conclusions:
UME offers a complete data evaluation pipeline comprising a fast molecular formula assignment algorithm allowing for the swift reanalysis of complete datasets, advanced filter functions and the export of data, metadata and publication-quality graphics. Unique to UME is a fast and interactive connection between data and their visual representation. UME provides a new platform enabling an increased transparency, customization, documentation and comparability of datasets.
More Related Videos
Related Concept Videos
High-Resolution Mass Spectrometry (HRMS)
Applications of Integration to Find Centers of Mass
Applications of the Ideal Gas Law: Molar Mass, Density, and Volume
Atomic Mass
Molar Mass
How Data are Classified: Categorical Data
Data are classified based on whether they are measurable or not. Categorical data cannot be measured; instead, it can be divided into categories. For example, if Y denotes a person's party affiliation, some examples of Y include...

