ReviewMolecules (Basel, Switzerland)2021
Guide to Semi-Quantitative Non-Targeted Screening Using LC/ESI/HRMS.
Review in Molecules (Basel, Switzerland), 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 44 papers.
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The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
44 citing papers in PubMed.
- Synergistic Orchestration of Chlorogenic Acid Analogs in Sugarcane Molasses Polyphenols for Sucrase Inhibition: Insights into a Multilevel Inhibitory Mechanism.Foods (Basel, Switzerland) · 2026Article
- Organ-Resolved Salicylate-Phenylpropanoid Metabolite Profiling ofMolecules (Basel, Switzerland) · 2026Article
- LC-HRMS and Molecular Networking for Non-Targeted Screening of Emerging Contaminants in Cosmetics: Workflow, Applications, and Regulatory Challenges.Molecules (Basel, Switzerland) · 2026Review
- Article
- Eco-Friendly Sample Preparation Trends for Exogenous Toxic Organic Compounds in Food: A Sustainable Perspective for LC-MS Analysis.Foods (Basel, Switzerland) · 2026Review
- Integrated Targeted and Suspect Screening Workflow for Identifying PFAS of Concern in Urban-Impacted Serbian Rivers.Toxics · 2026Article
- QTOF and Orbitrap Technologies in Modern Pesticide Analysis: Applications in Residue Detection and Degradation Pathway Elucidation.Journal of analytical methods in chemistry · 2026Review
- AI redefine untargeted metabolomics: estimating chemical amounts for a Human Exposome Project.Frontiers in public health · 2026Review
- Ionization efficiency prediction of electrospray ionization mass spectrometry analytes based on molecular fingerprints and cumulative neutral losses.Journal of cheminformatics · 2025Article
- CID fragment annotation from data-independent experiments in non-target organic aerosol analysis: presenting an easy-to-use tool.Analytical and bioanalytical chemistry · 2025Article
- Not One Method to Rule Them All: A Comparative Study of Chromatographic Platforms (RP-LC-, HILIC-, SFC-, and IC-HRMS) for Water Analysis.Analytical chemistry · 2025Article
- Designing a set of reference standards for non-targeted analysis of polymer additives extracted from medical devices.Journal of exposure science & environmental epidemiology · 2025Article
- Stress Responses to Hydrogen Peroxide and Hydric Stress-Related Acoustic Emissions (MHAF) inPlants (Basel, Switzerland) · 2025Article
- Examining structure-based surrogate selection for quantitative non-targeted analysis.Analytical and bioanalytical chemistry · 2025Article
- Application of a Non-targeted Biomonitoring Method to Characterize Occupational Chemical Exposures of Women Nurses Relative to Office Workers.Environmental science & technology · 2025Article
- Polyphenol extraction from industrial water by-products: a case study of the ULTIMATE project in the fruit processing industry.Water science and technology : a journal of the International Association on Water Pollution Research · 2025Article
- Communicating with Stakeholders to Identify High-Impact Research Directions for Non-Targeted Analysis.Analytical chemistry · 2025Review
- A critical review of wastewater-based epidemiology as a tool to evaluate the unintentional human exposure to potentially harmful chemicals.Analytical and bioanalytical chemistry · 2025Review
- Quantification Approaches in Non-Target LC/ESI/HRMS Analysis: An Interlaboratory Comparison.Analytical chemistry · 2024Article
- Prioritization, Identification, and Quantification of Emerging Contaminants in Recycled Textiles Using Non-Targeted and Suspect Screening Workflows by LC-ESI-HRMS.Analytical chemistry · 2024Article
Corrections and comments
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Authors and funding
6 authors.
Funding
Abstract
Non-targeted screening (NTS) with reversed phase liquid chromatography electrospray ionization high resolution mass spectrometry (LC/ESI/HRMS) is increasingly employed as an alternative to targeted analysis; however, it is not possible to quantify all compounds found in a sample with analytical standards. As an alternative, semi-quantification strategies are, or at least should be, used to estimate the concentrations of the unknown compounds before final decision making. All steps in the analytical chain, from sample preparation to ionization conditions and data processing can influence the signals obtained, and thus the estimated concentrations. Therefore, each step needs to be considered carefully. Generally, less is more when it comes to choosing sample preparation as well as chromatographic and ionization conditions in NTS. By combining the positive and negative ionization mode, the performance of NTS can be improved, since different compounds ionize better in one or the other mode. Furthermore, NTS gives opportunities for retrospective analysis. In this tutorial, strategies for semi-quantification are described, sources potentially decreasing the signals are identified and possibilities to improve NTS are discussed. Additionally, examples of retrospective analysis are presented. Finally, we present a checklist for carrying out semi-quantitative NTS.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.