ArticleMetabolomics : Official journal of the Metabolomic Society
Predicting retention time in hydrophilic interaction liquid chromatography mass spectrometry and its use for peak annotation in metabolomics.
Article in Metabolomics : Official journal of the Metabolomic Society. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 31 papers.
What it found
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The trial behind it
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Who cites it
31 citing papers in PubMed.
- Unraveling Plastic-Related Chemical Exposures during Pregnancy and Their Associations with Pregnancy Outcomes Using Suspect Screening Analysis.Environment & health (Washington, D.C.) · 2026Article
- From Retention Time to Functional Group Assignment: A Chemical Database-Driven Approach for High-Resolution Mass Data of Marine Dissolved Organic Matter.Rapid communications in mass spectrometry : RCM · 2025Article
- Integrated transcriptomic and metabolomic analyses uncover the key pathways of Limonium bicolor in response to salt stress.Plant biotechnology journal · 2025Article
- AI redefines mass spectrometry chemicals identification: retention time prediction in metabolomics and for a Human Exposome Project.Frontiers in public health · 2025Review
- Insights into predicting small molecule retention times in liquid chromatography using deep learning.Journal of cheminformatics · 2024Review
- Cross-column density functional theory-based quantitative structure-retention relationship model development powered by machine learning.Analytical and bioanalytical chemistry · 2024Article
- RT-Transformer: retention time prediction for metabolite annotation to assist in metabolite identification.Bioinformatics (Oxford, England) · 2024Article
- Natural Products Dereplication: Databases and Analytical Methods.Progress in the chemistry of organic natural products · 2024Review
- Comprehensive investigation of pathway enrichment methods for functional interpretation of LC-MS global metabolomics data.Briefings in bioinformatics · 2023Article
- User-Driven Strategy for In Silico Screening of Reversed-Phase Liquid Chromatography Conditions for Known Pharmaceutical-Related Small Molecules.Molecules (Basel, Switzerland) · 2022Article
- Article
- Strategies for structure elucidation of small molecules based on LC-MS/MS data from complex biological samples.Computational and structural biotechnology journal · 2022Review
- Spectral entropy outperforms MS/MS dot product similarity for small-molecule compound identification.Nature methods · 2021Article
- Article
- QSRR Automator: A Tool for Automating Retention Time Prediction in Lipidomics and Metabolomics.Metabolites · 2020Article
- Retip: Retention Time Prediction for Compound Annotation in Untargeted Metabolomics.Analytical chemistry · 2020Article
- The METLIN small molecule dataset for machine learning-based retention time prediction.Nature communications · 2019Article
- Challenges in Identifying the Dark Molecules of Life.Annual review of analytical chemistry (Palo Alto, Calif.) · 2019Review
- LAS: A Lipid Annotation Service Capable of Explaining the Annotations It Generates.Computational and structural biotechnology journal · 2019Article
- Software Tools and Approaches for Compound Identification of LC-MS/MS Data in Metabolomics.Metabolites · 2018Review
Corrections and comments
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Authors and funding
6 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Liquid chromatography coupled to mass spectrometry (LCMS) is widely used in metabolomics due to its sensitivity, reproducibility, speed and versatility. Metabolites are detected as peaks which are characterised by mass-over-charge ratio (
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.