massMatchR is an interactive R Shiny application for matching mass spectrometry (MS) peak lists against a user-defined reference database. It enables researchers to identify compounds across multiple samples simultaneously, visualize relative or absolute signal intensities and annotate bar charts with molecular structures.
massMatchR can be accessed freely at:
It can also be installed and run locally if modifications are required, for example when the provided image list is not suitable for a specific use case.
For detailed instructions, examples, and file specifications, see:
Although massMatchR was originally developed for glycan identification from MALDI-TOF data, its core function is to match structured datasets based on selected columns and a numerical tolerance. Because of this flexibility, it can be applied to many other data-matching tasks across different scientific fields.
You can also download the latest release from:
This work was funded by the EU NextGenerationEU through the Recovery and Resilience Plan for Slovakia under the project No. 09I03-03-V04-00681and VEGA 2/0054/25.
If you use MassMatchR in academic work, please cite the manuscript and this repository.
Gábor Beke, Lubos Klucar, Zuzana Pakanová, Rebeka Kodríkova, Peter Baráth, Marek Nemčovič, massMatchR: a Shiny application for glycomics mass spectrometry data analysis, Bioinformatics, Volume 42, Issue 10, October 2026, btag700, https://doi.org/10.1093/bioinformatics/btag700
This project is licensed under the GNU General Public License v3.0 – see the LICENSE file for details.
Full license text: https://www.gnu.org/licenses/gpl-3.0.en.html