ArticleMetabolomics : Official journal of the Metabolomic Society2018
DeltaMS: a tool to track isotopologues in GC- and LC-MS data.
Article in Metabolomics : Official journal of the Metabolomic Society, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
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Who cites it
7 citing papers in PubMed, 24 citations in OpenAlex.
- Biodegradation of Xenoestrogens by the Green Tide Forming SeaweedACS ES&T water · 2025Article
- Connecting metabolome and phenotype: recent advances in functional metabolomics tools for the identification of bioactive natural products.Natural product reports · 2024Review
- Identification of biological signatures of cruciferous vegetable consumption utilizing machine learning-based global untargeted stable isotope traced metabolomics.Frontiers in nutrition · 2024Article
- Microbial degradation and assimilation of veratric acid in oxic and anoxic groundwaters.Frontiers in microbiology · 2023Article
- Intracellular Acetyl CoA Potentiates the Therapeutic Efficacy of Antitumor CD8+ T Cells.Cancer research · 2022Article
- Rhizobactin B is the preferred siderophore by a novel Pseudomonas isolate to obtain iron from dissolved organic matter in peatlands.Biometals : an international journal on the role of metal ions in biology, biochemistry, and medicine · 2020Article
- Predictive Modeling for Metabolomics Data.Methods in molecular biology (Clifton, N.J.) · 2020Article
Corrections and comments
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Authors and funding
8 authors at 3 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
introductionStable isotopic labeling experiments are powerful tools to study metabolic pathways, to follow tracers and fluxes in biotic and abiotic transformations and to elucidate molecules involved in metal complexing.
objectiveTo introduce a software tool for the identification of isotopologues from mass spectrometry data.
methodsDeltaMS relies on XCMS peak detection and X
resultsTo illustrate the versatility of DeltaMS, we analyze data sets from case-studies that commonly pose challenges in evaluation of natural isotopes or isotopic signatures in labeling experiment. In these examples, the untargeted detection of sulfur, bromine and artificial metal isotopic patterns is enabled by the automated search for specific isotopes or isotope signatures.
conclusionDeltaMS provides a platform for the identification of (pre-defined) isotopologues in MS data from single samples or comparative metabolomics data sets.
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Registered trials
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