ArticleMetabolites2020
Towards a More Reliable Identification of Isomeric Metabolites Using Pattern Guided Retention Validation.
Article in Metabolites, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 18 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
18 citing papers in PubMed, 25 citations in OpenAlex.
- Evaluation of MassFrontier, MetFrag, MS-FINDER, and SIRIUS for Metabolite Annotation Using an Experimental LC-HRMS Dataset.Biomedicines · 2026Article
- Infrared Ion Spectroscopy Combined with Ion Mobility Spectrometry for Identification of Caffeine Metabolite Isomers and Protomers.Journal of the American Society for Mass Spectrometry · 2026Article
- Rapid chemical characterization of finger millet using UHPLC-Q-Exactive orbitrap MS coupled with based via Feature-Based molecular networking and PRM.Scientific reports · 2026Article
- Untargeted metabolic analysis in serum samples reveals metabolic signature in children with congenital heart failure on enalapril therapy.Frontiers in pediatrics · 2025Article
- p53 terminates the regenerative fetal-like state after colitis-associated injury.Science advances · 2024Article
- The Effects of Hypoxia on the Immune-Metabolic Interplay in Liver Cancer.Biomolecules · 2024Article
- Comparing the Extraction Performance in Mouse Plasma of Different Biphasic Methods for Polar and Nonpolar Compounds.Journal of proteome research · 2024Article
- In-depth organic mass cytometry reveals differential contents of 3-hydroxybutanoic acid at the single-cell level.Nature communications · 2024Article
- Serum Starvation Accelerates Intracellular Metabolism in Endothelial Cells.International journal of molecular sciences · 2023Article
- Protomer Formation Can Aid the Structural Identification of Caffeine Metabolites.Analytical chemistry · 2022Article
- A Comparison of Solvent-Based Extraction Methods to Assess the Central Carbon Metabolites in Mouse Bone and Muscle.Metabolites · 2022Article
- Machine Learning-Based Retention Time Prediction of Trimethylsilyl Derivatives of Metabolites.Biomedicines · 2022Article
- High-Throughput Multiplexed Infrared Spectroscopy of Ion Mobility-Separated Species Using Hadamard Transform.Analytical chemistry · 2022Article
- Exercise blood-drop metabolic profiling links metabolism with perceived exertion.Frontiers in molecular biosciences · 2022Article
- Optimized Workflow for On-Line Derivatization for Targeted Metabolomics Approach by Gas Chromatography-Mass Spectrometry.Metabolites · 2021Article
- Inhibiting PHGDH with NCT-503 reroutes glucose-derived carbons into the TCA cycle, independently of its on-target effect.Journal of enzyme inhibition and medicinal chemistry · 2021Article
- Article
- Beyond Sperm and Male Accessory Gland Proteins: Exploring Insect Reproductive Metabolomes.Frontiers in physiology · 2021Review
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
3 authors at 1 institution in 1 country.
Funding
Abstract
Reliable analyte identification is critical in metabolomics experiments to ensure proper interpretation of data. Due to chemical similarity of metabolites (as isobars and isomers) identification by mass spectrometry or chromatography alone can be difficult. Here we show that isomeric compounds are quite common in the metabolic space as given in common metabolite databases. Further, we show that retention information can shift dramatically between different experiments decreasing the value of external or even in-house compound databases. As a consequence the retention information in compound databases should be updated regularly, to allow a reliable identification. To do so we present a feasible and budget conscious method to guarantee updates of retention information on a regular basis using well designed compound mixtures. For this we combine compounds in "Ident-Mixes", showing a way to distinctly identify chemically similar compounds through combinatorics and principle of exclusion. We illustrate the feasibility of this approach by comparing Gas chromatography (GC)-columns with identical properties from three different vendors and by creating a compound database from measuring these mixtures by Liquid chromatography-mass spectrometry (LC-MS). The results show the high influence of used materials on retention behavior and the ability of our approach to generate high quality identifications in a short time.
Indexed as
Identifiers
What OpenQuestion holds
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.