ArticleAnalytical chemistry2016
Isotopic Ratio Outlier Analysis of the S. cerevisiae Metabolome Using Accurate Mass Gas Chromatography/Time-of-Flight Mass Spectrometry: A New Method for Discovery.
Article in Analytical chemistry, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 23 papers.
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Who cites it
23 citing papers in PubMed.
- Cross-platform mass spectrometry annotation in breathomics of oesophageal-gastric cancer.Scientific reports · 2018Trial
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- Isotope tracing-based metabolite identification for mass spectrometry metabolomics.bioRxiv : the preprint server for biology · 2025Article
- Ion suppression correction and normalization for non-targeted metabolomics.Nature communications · 2025Article
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- Combining Isotopologue Workflows and Simultaneous Multidimensional Separations to Detect, Identify, and Validate Metabolites in Untargeted Analyses.Analytical chemistry · 2022Article
- An airway organoid-based screen identifies a role for the HIF1α-glycolysis axis in SARS-CoV-2 infection.Cell reports · 2021Article
- Comparing Stable Isotope Enrichment by Gas Chromatography with Time-of-Flight, Quadrupole Time-of-Flight, and Quadrupole Mass Spectrometry.Analytical chemistry · 2021Article
- Review
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- A review of strategies for untargeted urinary metabolomic analysis using gas chromatography-mass spectrometry.Metabolomics : Official journal of the Metabolomic Society · 2020Review
- A Novel Cyanobacterium Synechococcus elongatus PCC 11802 has Distinct Genomic and Metabolomic Characteristics Compared to its Neighbor PCC 11801.Scientific reports · 2020Article
- Metabolic engineering of a fast-growing cyanobacteriumBiotechnology for biofuels · 2020Article
- An Isotopic Ratio Outlier Analysis Approach for Global Metabolomics of Biosynthetically Talented Actinomycetes.Metabolites · 2019Article
- Peak Annotation and Verification Engine for Untargeted LC-MS Metabolomics.Analytical chemistry · 2019Article
- Review of recent developments in GC-MS approaches to metabolomics-based research.Metabolomics : Official journal of the Metabolomic Society · 2018Review
- Profiling the Metabolism of Human Cells by DeepCell chemical biology · 2018Article
- Article
- Comparative physiological and metabolomics analysis of wheat (Triticum aestivum L.) following post-anthesis heat stress.PloS one · 2018Article
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Authors and funding
8 authors.
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Abstract
Isotopic ratio outlier analysis (IROA) is a (13)C metabolomics profiling method that eliminates sample to sample variance, discriminates against noise and artifacts, and improves identification of compounds, previously done with accurate mass liquid chromatography/mass spectrometry (LC/MS). This is the first report using IROA technology in combination with accurate mass gas chromatography/time-of-flight mass spectrometry (GC/TOF-MS), here used to examine the S. cerevisiae metabolome. S. cerevisiae was grown in YNB media, containing randomized 95% (13)C, or 5%(13)C glucose as the single carbon source, in order that the isotopomer pattern of all metabolites would mirror the labeled glucose. When these IROA experiments are combined, the abundance of the heavy isotopologues in the 5%(13)C extracts, or light isotopologues in the 95%(13)C extracts, follows the binomial distribution, showing mirrored peak pairs for the molecular ion. The mass difference between the (12)C monoisotopic and the (13)C monoisotopic equals the number of carbons in the molecules. The IROA-GC/MS protocol developed, using both chemical and electron ionization, extends the information acquired from the isotopic peak patterns for formulas generation. The process that can be formulated as an algorithm, in which the number of carbons, as well as the number of methoximations and silylations are used as search constraints. In electron impact (EI/IROA) spectra, the artifactual peaks are identified and easily removed, which has the potential to generate "clean" EI libraries. The combination of chemical ionization (CI) IROA and EI/IROA affords a metabolite identification procedure that enables the identification of coeluting metabolites, and allowed us to characterize 126 metabolites in the current study.
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