A universal language for finding mass spectrometry data patterns

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F25%3A00619770" target="_blank" >RIV/61388963:_____/25:00619770 - isvavai.cz</a>

Výsledek na webu

<a href="https://doi.org/10.1038/s41592-025-02660-z" target="_blank" >https://doi.org/10.1038/s41592-025-02660-z</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1038/s41592-025-02660-z" target="_blank" >10.1038/s41592-025-02660-z</a>

Jazyk výsledku

angličtina

Název v původním jazyce

A universal language for finding mass spectrometry data patterns

Popis výsledku v původním jazyce

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 diversity by enabling the reanalysis of all public untargeted metabolomics data, empowering scientists across many disciplines to make new discoveries. MassQL has been widely implemented in multiple open-source and commercial mass spectrometry analysis tools, which enhances the ability, interoperability and reproducibility of mining of mass spectrometry data for the research community.

Název v anglickém jazyce

A universal language for finding mass spectrometry data patterns

Popis výsledku anglicky

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 diversity by enabling the reanalysis of all public untargeted metabolomics data, empowering scientists across many disciplines to make new discoveries. MassQL has been widely implemented in multiple open-source and commercial mass spectrometry analysis tools, which enhances the ability, interoperability and reproducibility of mining of mass spectrometry data for the research community.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10608 - Biochemistry and molecular biology

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2025

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Nature Methods

ISSN

1548-7091

e-ISSN

1548-7105

Svazek periodika

22

Číslo periodika v rámci svazku

6

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

8

Strana od-do

1247-1254

Kód UT WoS článku

001485547200001

EID výsledku v databázi Scopus

2-s2.0-105004840486