PuSH - Publication Server of Helmholtz Zentrum München: DIAMetAlyzer allows automated false-discovery rate-controlled analysis for data-independent acquisition in metabolomics.

Navigation

Home

Deutsch

Research

Advanced Search

Browse by ...

... Journal

... Publication Type

... Research Data

... Publication Year

Publication overview

Support & Contact

Contact persons

Help

Data protection

Alka, O.* ; Shanthamoorthy, P.* ; Witting, M. ; Kleigrewe, K.* ; Kohlbacher, O.* ; Röst, H.L.*

DIAMetAlyzer allows automated false-discovery rate-controlled analysis for data-independent acquisition in metabolomics.

Nat. Commun. 13:1347 (2022)

Publ. Version/Full Text

Research data

DOI

PMC

	Open Access Gold

Abstract
Metrics
Extra information

The extraction of meaningful biological knowledge from high-throughput mass spectrometry data relies on limiting false discoveries to a manageable amount. For targeted approaches in metabolomics a main challenge is the detection of false positive metabolic features in the low signal-to-noise ranges of data-independent acquisition results and their filtering. Another factor is that the creation of assay libraries for data-independent acquisition analysis and the processing of extracted ion chromatograms have not been automated in metabolomics. Here we present a fully automated open-source workflow for high-throughput metabolomics that combines data-dependent and data-independent acquisition for library generation, analysis, and statistical validation, with rigorous control of the false-discovery rate while matching manual analysis regarding quantification accuracy. Using an experimentally specific data-dependent acquisition library based on reference substances allows for accurate identification of compounds and markers from data-independent acquisition data in low concentrations, facilitating biomarker quantification.

Altmetric

Additional Metrics?

[➜Log in]

Edit extra informations Login

Publication type Article: Journal article

Document type Scientific Article

Corresponding Author

ISSN (print) / ISBN 2041-1723

e-ISSN 2041-1723

Journal Nature Communications

Quellenangaben Volume: 13, Issue: 1, Article Number: 1347

Publisher Nature Publishing Group

Publishing Place London

Non-patent literature Publications

Reviewing status Peer reviewed

Institute(s) CF Metabolomics & Proteomics (CF-MPC)
Research Unit Analytical BioGeoChemistry (BGC)

Grants University of Toronto
Bundesministerium für Bildung und Forschung
Eberhard Karls Universität Tübingen
natural sciences and engineering research council of canada
Canadian Institutes of Health Research
Government of Canada
NFRF