ArticleAnalytical chemistry2023
Evaluation of Data-Dependent MS/MS Acquisition Parameters for Non-Targeted Metabolomics and Molecular Networking of Environmental Samples: Focus on the Q Exactive Platform.
Article in Analytical chemistry, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 28 papers.
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Who cites it
28 citing papers in PubMed.
- Pharmacokinetics, Excretion, and Metabolite Profiling of Leonurine in Rats: Evidence for Extensive Phase II Conjugations.Molecules (Basel, Switzerland) · 2026Article
- Assessing the performance of weak and strong ion exchange solid-phase extraction and data mining tools to identify congeners and transformation products in municipal wastewaters by non-targeted analysis.Analytical and bioanalytical chemistry · 2026Article
- 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
- Identifying Food Packaging Migrants: Current Analytical Capabilities, Challenges, and Future Prospects.Comprehensive reviews in food science and food safety · 2026Review
- Cooperative siderophore use stabilizes a protective leaf microbiome.bioRxiv : the preprint server for biology · 2026Article
- Comparability of Liquid Chromatography Tandem Mass Spectrometry Analysis of Dissolved Organic Matter across Laboratories.Environmental science & technology · 2026Article
- Enhancing Chimeric Fragmentation Spectra Deconvolution Using Direct Infusion-Tandem Mass Spectrometry Across High-Resolution Mass Spectrometric Platforms.Rapid communications in mass spectrometry : RCM · 2026Article
- Practical guide for marine exo-metabolomic sample preparation.The ISME journal · 2026Review
- Development and application of GlycanDIA workflow for glycomic analysis.Nature communications · 2025Article
- Machine Learning-Driven Insights in Cancer Metabolomics: From Subtyping to Biomarker Discovery and Prognostic Modeling.Metabolites · 2025Review
- Improving Spectral Similarity and Molecular Network Reliability through Noise Signal Filtering in MS/MS Spectra.Analytical chemistry · 2025Article
- Integrative Modeling of Urinary Metabolomics and Metal Exposure Reveals Systemic Impacts of Electronic Waste in Exposed Populations.Metabolites · 2025Article
- Integrating metabolite-based molecular networking with database matching and LC-MS-guided targeted isolation for the discovery of novel chemical constituents: application to Euphorbia helioscopia L.Analytical and bioanalytical chemistry · 2025Article
- A comparative study of data-independent acquisition and data-dependent acquisition in liquid chromatography-mass spectrometry-based untargeted metabolomics analysis of Panax genus sample.Analytical and bioanalytical chemistry · 2025Article
- MS-RT: A Method for Evaluating MS/MS Clustering Performance for Metabolomics Data.Journal of proteome research · 2025Article
- Non-targeted metabolomics-based molecular networking enables the chemical characterization of Rumex sanguineus, a wild edible plant.Metabolomics : Official journal of the Metabolomic Society · 2025Article
- Multiparametric Optimization of Data-Dependent Acquisition Towards More Holistic Bacterial Metabolite Coverage Through Molecular Networking.International journal of microbiology · 2025Article
- Statistical analysis of feature-based molecular networking results from non-targeted metabolomics data.Nature protocols · 2025Article
- [Advances in molecular networking technology for discovering emerging contaminants and transformation products].Se pu = Chinese journal of chromatography · 2025Review
- ModiFinder: Tandem Mass Spectral Alignment Enables Structural Modification Site Localization.Journal of the American Society for Mass Spectrometry · 2024Article
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Authors and funding
12 authors.
Funding
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Abstract
Non-targeted liquid chromatography-tandem mass spectrometry (LC-MS/MS) is a widely used tool for metabolomics analysis, enabling the detection and annotation of small molecules in complex environmental samples. Data-dependent acquisition (DDA) of product ion spectra is thereby currently one of the most frequently applied data acquisition strategies. The optimization of DDA parameters is central to ensuring high spectral quality, coverage, and number of compound annotations. Here, we evaluated the influence of 10 central DDA settings of the Q Exactive mass spectrometer on natural organic matter samples from ocean, river, and soil environments. After data analysis with classical and feature-based molecular networking using MZmine and GNPS, we compared the total number of network nodes, multivariate clustering, and spectrum quality-related metrics such as annotation and singleton rates, MS/MS placement, and coverage. Our results show that
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