ArticleAnalytical chemistry2014
Ion mobility derived collision cross sections to support metabolomics applications.
Article in Analytical chemistry, 2014. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 106 papers.
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Who cites it
106 citing papers in PubMed.
- AGENTi: APCI-ESI Analyte Ionization Fidelity Pre-Screening Workflow using Multimodel Inference.Journal of chemical information and modeling · 2026Article
- Targeted and Untargeted Urinary Metabolomic Analyses of Organophosphate Pesticides Exposure and Attention-Deficit/Hyperactivity Disorder in Children.Metabolomics : Official journal of the Metabolomic Society · 2026Article
- Hierarchical Multi-Omics Trajectory Prediction for fecal microbiota transplantation: a novel machine learning framework for small-sample longitudinal multi-omics integration.Briefings in bioinformatics · 2026Article
- A Polysorbate Structural Atlas Curated from Drift Tube Ion Mobility-Mass Spectrometry Measurements.Analytical chemistry · 2026Article
- Oil as a Hindrance to Oat (Foods (Basel, Switzerland) · 2026Review
- Chemical Profiling and Mechanistic Insights into Stichopodidae Viscus Extract for Ulcerative Colitis via UPLC-IMS-Q-TOF-HDMSPharmaceuticals (Basel, Switzerland) · 2026Article
- Review
- A Spatial Metabolomics Annotation Workflow Leveraging Cyclic Ion Mobility and Machine Learning-Predicted Collision Cross Sections.Journal of the American Society for Mass Spectrometry · 2025Article
- Plasma metabolomics signatures predict COVID-19 patient outcome at ICU admission comparable to clinical scores.Scientific reports · 2025Article
- Glycogen drives tumour initiation and progression in lung adenocarcinoma.Nature metabolism · 2025Article
- The prowess of metabolomics in cancer research: current trends, challenges and future perspectives.Molecular and cellular biochemistry · 2025Review
- Roe deer uterine fluid metabolome reveals elevated glycolysis, fatty acid breakdown, and spermidine synthesis upon reactivation from diapause†.Biology of reproduction · 2025Article
- Identification and Structural Elucidation of Acylsugars in Tomato Leaves Using Liquid Chromatography-Ion Mobility-Tandem Mass Spectrometry (LC-IM-MS/MS).Journal of the American Society for Mass Spectrometry · 2025Article
- Advancements in Mass Spectrometry-Based Targeted Metabolomics and Lipidomics: Implications for Clinical Research.Molecules (Basel, Switzerland) · 2024Review
- MobiLipid: A Tool for Enhancing CCS Quality Control of Ion Mobility-Mass Spectrometry Lipidomics by Internal Standardization.Analytical chemistry · 2024Article
- Measurement of very low-molecular weight metabolites by traveling wave ion mobility and its use in human urine samples.Journal of pharmaceutical analysis · 2024Article
- Accurate Prediction of Ion Mobility Collision Cross-Section Using Ion's Polarizability and Molecular Mass with Limited Data.Journal of chemical information and modeling · 2024Article
- Mass Spectrometry Investigation of Some ATP-Binding Cassette (ABC) Proteins.Medicina (Kaunas, Lithuania) · 2024Review
- Potential of measured relative shifts in collision cross section values for biotransformation studies.Analytical and bioanalytical chemistry · 2024Article
- Fish Skin Grafts Affect Adenosine and Methionine Metabolism during Burn Wound Healing.Antioxidants (Basel, Switzerland) · 2023Article
46 more citing papers are in PubMed but not listed here.
Corrections and comments
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Authors and funding
12 authors.
Funding
Abstract
Metabolomics is a rapidly evolving analytical approach in life and health sciences. The structural elucidation of the metabolites of interest remains a major analytical challenge in the metabolomics workflow. Here, we investigate the use of ion mobility as a tool to aid metabolite identification. Ion mobility allows for the measurement of the rotationally averaged collision cross-section (CCS), which gives information about the ionic shape of a molecule in the gas phase. We measured the CCSs of 125 common metabolites using traveling-wave ion mobility-mass spectrometry (TW-IM-MS). CCS measurements were highly reproducible on instruments located in three independent laboratories (RSD < 5% for 99%). We also determined the reproducibility of CCS measurements in various biological matrixes including urine, plasma, platelets, and red blood cells using ultra performance liquid chromatography (UPLC) coupled with TW-IM-MS. The mean RSD was < 2% for 97% of the CCS values, compared to 80% of retention times. Finally, as proof of concept, we used UPLC-TW-IM-MS to compare the cellular metabolome of epithelial and mesenchymal cells, an in vitro model used to study cancer development. Experimentally determined and computationally derived CCS values were used as orthogonal analytical parameters in combination with retention time and accurate mass information to confirm the identity of key metabolites potentially involved in cancer. Thus, our results indicate that adding CCS data to searchable databases and to routine metabolomics workflows will increase the identification confidence compared to traditional analytical approaches.
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