ArticleMetabolites2019
In Silico Optimization of Mass Spectrometry Fragmentation Strategies in Metabolomics.
Article in Metabolites, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
What it found
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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.
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Who cites it
11 citing papers in PubMed.
- Simulated LC-MS Data Set for Assessing the Metabolomics Data Processing Pipeline Implemented into MVAPACK.Analytical chemistry · 2024Article
- TopNEXt: automatic DDA exclusion framework for multi-sample mass spectrometry experiments.Bioinformatics (Oxford, England) · 2023Article
- Simulated-to-real benchmarking of acquisition methods in untargeted metabolomics.Frontiers in molecular biosciences · 2023Article
- Advances in Mass Spectrometry-Metabolomics Based Approaches.Advances in experimental medicine and biology · 2023Article
- Tryptophan regulates bile and nitrogen metabolism in two pig gut lactobacilli species in vitro based on metabolomics study.Amino acids · 2022Article
- MassGenie: A Transformer-Based Deep Learning Method for Identifying Small Molecules from Their Mass Spectra.Biomolecules · 2021Article
- Metabolomics-Guided Elucidation of Plant Abiotic Stress Responses in the 4IR Era: An Overview.Metabolites · 2021Review
- Rapid Development of Improved Data-Dependent Acquisition Strategies.Analytical chemistry · 2021Article
- Spatially Resolved Mass Spectrometry at the Single Cell: Recent Innovations in Proteomics and Metabolomics.Journal of the American Society for Mass Spectrometry · 2021Review
- Recurrent Topics in Mass Spectrometry-Based Metabolomics and Lipidomics-Standardization, Coverage, and Throughput.Analytical chemistry · 2021Review
- Software tools, databases and resources in metabolomics: updates from 2018 to 2019.Metabolomics : Official journal of the Metabolomic Society · 2020Review
Corrections and comments
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Authors and funding
6 authors.
Funding
Abstract
Liquid chromatography (LC) coupled to tandem mass spectrometry (MS/MS) is widely used in identifying small molecules in untargeted metabolomics. Various strategies exist to acquire MS/MS fragmentation spectra; however, the development of new acquisition strategies is hampered by the lack of simulators that let researchers prototype, compare, and optimize strategies before validations on real machines. We introduce Virtual Metabolomics Mass Spectrometer (ViMMS), a metabolomics LC-MS/MS simulator framework that allows for scan-level control of the MS2 acquisition process in silico. ViMMS can generate new LC-MS/MS data based on empirical data or virtually re-run a previous LC-MS/MS analysis using pre-existing data to allow the testing of different fragmentation strategies. To demonstrate its utility, we show how ViMMS can be used to optimize
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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.