Natural organic matter is the most complex chemical mixture on our planet. UME is an open access, browser-based tool that allows efficient, interactive, transparent, and reproducible exploration and evaluation of ultrahigh resolution mass spectra of complex organic matter.
Please cite UME as:
Leefmann T., Frickenhaus S., Koch B.P (2019). UltraMassExplorer - a browser-based application for the evaluation of high-resolution mass spectrometric data. Rapid Communications in Mass Spectrometry, 33, 193–202. https://doi.org/10.1002/rcm.8315
[...] Leefmann et al. (2019) developed a new browser-based software tool for processing high resolution mass spectrometry data with the option to export the final data report and to compare with previous datasets. These kinds of databases, similarly to libraries used in chromatography and mass spectra analyses, would help a faster interpretation of the results, if previously reported, and increase the coherence between different studies with similar results.
UltraMassExplorer, offering a complete data evaluation process, from assignment of elemental compositions to data visualization. UME was written in the R language and utilizes the Shiny package to generate the Web application.Compositional assignments are performed using a library-based approach built upon the rules suggested by Kind & Fiehn (98). The interactive visualizations include 2D and 3D van Krevelen plots, with the 3D plot allowing free rotation and enlargement of data set regions.