ArticleMetabolomics : Official journal of the Metabolomic Society2023
Mass spectrometry DDA parameters and global coverage of the metabolome: Spectral molecular networks of momordica cardiospermoides plants.
Article in Metabolomics : Official journal of the Metabolomic Society, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.
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8 citing papers in PubMed, 9 citations in OpenAlex.
- An LC-MS-Based Molecular Networking Proof-of-Concept for Revealing Ecological Functional Dynamics in Nylsvley Ramsar Wetland Waters.Bulletin of environmental contamination and toxicology · 2026Article
- Understanding the metabolome of four stress-relieving and cognitive-enhancing medicinal plants: a comprehensive HR-LC-ESI-MS/MS analysis.Metabolomics : Official journal of the Metabolomic Society · 2026Article
- Breaking the boundaries of affinity selection-mass spectrometry: From ligand screening to target-ligand interaction insights.Journal of pharmaceutical analysis · 2026Review
- Experimental and computational approaches for deep metabolome annotation with application to the ecotoxicological model organism Daphnia magna.GigaScience · 2026Article
- Multi-omics profiling and cellular validation reveal distinct lipid networks of krill oil and its predicted mechanisms against insulin resistance.Frontiers in nutrition · 2026Article
- Revisiting In-Gas Transformations of Quinate Conjugates Through the LC-qTOF-MS and Molecular Networking Topology.Rapid communications in mass spectrometry : RCM · 2025Article
- Metabolomic Profiles and Differential Constituents ofMolecules (Basel, Switzerland) · 2025Article
- Multiparametric Optimization of Data-Dependent Acquisition Towards More Holistic Bacterial Metabolite Coverage Through Molecular Networking.International journal of microbiology · 2025Article
Corrections and comments
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Authors and funding
4 authors at 3 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
introductionMolecular networking (MN) has emerged as a key strategy to organize and annotate untargeted tandem mass spectrometry (MS/MS) data generated using either data independent- or dependent acquisition (DIA or DDA). The latter presents a time-efficient approach where full scan (MS
objectivesThis study assessed the extent to which the quality of the tandem spectral data relates to MN topology and subsequent implications in the annotation of metabolites and chemical classification relative to the different DDA parameters employed.
methodsHerein, characterising the metabolome of Momordica cardiospermoides plants, we employ classical MN performance indicators to investigate the effects of collision energies and intensity thresholds on the topology of generated MN and propagated annotations.
resultsWe demonstrated that the lowest predefined intensity thresholds and collision energies result in comprehensive molecular networks. Comparatively, higher intensity thresholds and collision energies resulted in fewer MS
conclusionContributing to ongoing efforts and conversations on improving DDA strategies, this study proposes a framework in which multiple DDA parameters are utilized to increase the coverage of ions acquired and improve the global coverage of MN, propagated annotations, and the chemical classification performed.
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