MatchMass - Mass Spectrometry Matching Tool
Quickly compare your experimental results with a table of theoretical m/z values to find out which molecules and ions of interest are really present in the mixture.
About

Welcome to MatchMass, a powerful tool designed to streamline the analysis of mass spectrometry data. With MatchMass, you can quickly and accurately compare your experimental results against theoretical values, helping you identify the molecules and ions present in your samples with confidence.

Functions of Matchmass:
- Load tables containing experimental data and theoretical masses of molecules provided by user.
- Set the limits of matching by defining mass accuracy and minimum signal intensity (abundance) of interest.
- Generate mass-to-charge (m/z) values of ions of interest from the provided theoretical masses of neutral molecules.
- Provide two simple plots for visual check of matching settings and final results.
- Do the matching. This means finding and returning experimental values corresponding (within user-defined limits) to the molecules (ions) in the theoretical table.
- Generate excel file with detailed report and complete table and theoretical m/z values. - Users may download our dummy data to test MatchMass without having their own data.

If you want to learn more, you can also check the GitHub repository and preprint of article, DOI:10.26434/chemrxiv-2024-9j8n7.

To be able to use the online app, please login using OrchID.

Related research projects

The original research using the MatchMass tool was conducted by professor Riina Aav's Supramolecular chemistry group. The scientific group is based at the Department of Chemistry and Biotechnology, Tallinn University of Technology (TalTech), Estonia.

About the authors

This application was developed by Lukáš Ustrnul and ORCID login implemented by Martin Jantson.

Additional information about the authors:

Lukáš Ustrnul
- LinkedIn profile, Github, Research profile and publications ORCID, Profile at Estonian Information System ETIS.

Martin Jantson
- LinkedIn profile, Research profile and publications ORCID, Profile at Estonian Information System ETIS.

If you have any questions, suggestions or you want to report any issues with MatchMass, please contact us at lukas.ustrnul@taltech.com or martin.jantson@kbfi.ee

Acknowledgments

Matchmass would like to acknowledge Tatsiana Jarg (ETIS) for her ideas and feedback, Mario Öeren (ETIS) for feedback on code, Irina Osadchuk (ETIS) for administration of the virtual machine, Lauri Anton (ETIS) for technical help, Martin Jantson (ETIS) for help in setting up and developing the MatchMass web app, Prof. Riina Aav (ETIS) for her support, and all members of the Supramolecular group for the positive atmosphere.

Funding

Development of MatchMass was supported by the Estonian Research Council (ETAG) grants PRG399, MOBJD592, PRG2169.
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