A universal language for finding mass spectrometry data patterns
Czech Academy of Sciences, Institute of Organic Chemistry and Biochemistry · National Institute of Environmental Health Sciences · +49 more institutions
Abstract
Despite being information rich, the vast majority of untargeted mass spectrometry data are underutilized; most analytes are not used for downstream interpretation or reanalysis after publication. The inability to dive into these rich raw mass spectrometry datasets is due to the limited flexibility and scalability of existing software tools. Here we introduce a new language, the Mass Spectrometry Query Language (MassQL), and an accompanying software ecosystem that addresses these issues by enabling the community to directly query mass spectrometry data with an expressive set of user-defined mass spectrometry patterns. Illustrated by real-world examples, MassQL provides a data-driven definition of chemical…
Citation impact
- FWCI
- 26.21
- Percentile
- 100%
- References
- 50
Authors
74- TDTito DamianiCorresponding
Czech Academy of Sciences, Institute of Organic Chemistry and Biochemistry
- AKAlan K. Jarmusch
National Institute of Environmental Health Sciences
- ATAllegra T. Aron
University of Denver
- DPDaniel Petras
University of California, Riverside, University of Tübingen
- VVVanessa V. Phelan
University of Colorado Anschutz Medical Campus
Topics & keywords
- Mass spectrometry
- Computer science
- Computational biology
- Chemistry
- Biology
- Chromatography