MS2Query

Sketch of MS2Query

MS2Query uses MS2 mass spectral data to find the best match in a library and is able to search for both analogues and exact matches. A pretrained library for MS2Query is available based on the GNPS library. In our benchmarking we show that MS2Query performs better compared to current standards in the field like Cosine Score and the Modified Cosine score. MS2Query is easy to install and is scalable to large numbers of MS2 spectra.

Florian Huber
Florian Huber
Professor of Data Science and Visual Analytics

Research and teaching on data science and research software development.