ArticleAnalytical chemistry2014
Development of a GC/Quadrupole-Orbitrap mass spectrometer, part II: new approaches for discovery metabolomics.
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 18 papers.
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Who cites it
18 citing papers in PubMed.
- Instrumentation at the Leading Edge of Proteomics.Analytical chemistry · 2024Review
- Multi-Parameter Auto-Tuning Algorithm for Mass Spectrometer Based on Improved Particle Swarm Optimization.Bioengineering (Basel, Switzerland) · 2023Article
- Recent Advances and Perspectives in Relation to the Metabolomics-Based Study of Diabetic Retinopathy.Metabolites · 2023Review
- A high-resolution Orbitrap Mass spectral library for trace volatile compounds in fruit wines.Scientific data · 2022Article
- Defining Blood Plasma and Serum Metabolome by GC-MS.Metabolites · 2021Review
- High Resolution GC-Orbitrap-MS Metabolomics Using Both Electron Ionization and Chemical Ionization for Analysis of Human Plasma.Journal of proteome research · 2020Article
- Metabolomics Benefits from Orbitrap GC-MS-Comparison of Low- and High-Resolution GC-MS.Metabolites · 2020Article
- Recent advances and perspectives of metabolomics-based investigations in Parkinson's disease.Molecular neurodegeneration · 2019Review
- Surface-Induced Dissociation: An Effective Method for Characterization of Protein Quaternary Structure.Analytical chemistry · 2019Review
- Review of recent developments in GC-MS approaches to metabolomics-based research.Metabolomics : Official journal of the Metabolomic Society · 2018Review
- High-resolution gas chromatography/mass spectrometry metabolomics of non-human primate serum.Rapid communications in mass spectrometry : RCM · 2018Article
- Applications of Fourier Transform Ion Cyclotron Resonance (FT-ICR) and Orbitrap Based High Resolution Mass Spectrometry in Metabolomics and Lipidomics.International journal of molecular sciences · 2016Review
- Global Metabolic Regulation of the Snow Alga Chlamydomonas nivalis in Response to Nitrate or Phosphate Deprivation by a Metabolome Profile Analysis.International journal of molecular sciences · 2016Article
- Isotopic Ratio Outlier Analysis of the S. cerevisiae Metabolome Using Accurate Mass Gas Chromatography/Time-of-Flight Mass Spectrometry: A New Method for Discovery.Analytical chemistry · 2016Article
- Fourier Transform Mass Spectrometry: The Transformation of Modern Environmental Analyses.International journal of molecular sciences · 2016Review
- High-resolution filtering for improved small molecule identification via GC/MS.Analytical chemistry · 2015Article
- A data preprocessing strategy for metabolomics to reduce the mask effect in data analysis.Frontiers in molecular biosciences · 2015Article
- Development of a GC/Quadrupole-Orbitrap mass spectrometer, part I: design and characterization.Analytical chemistry · 2014Article
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Authors and funding
4 authors.
Funding
Abstract
Identification of unknown peaks in gas chromatography/mass spectrometry (GC/MS)-based discovery metabolomics is challenging, and remains necessary to permit discovery of novel or unexpected metabolites that may elucidate disease processes and/or further our understanding of how genotypes relate to phenotypes. Here, we introduce two new technologies and an analytical workflow that can facilitate the identification of unknown peaks. First, we report on a GC/Quadrupole-Orbitrap mass spectrometer that provides high mass accuracy, high resolution, and high sensitivity analyte detection. Second, with an "intelligent" data-dependent algorithm, termed molecular-ion directed acquisition (MIDA), we maximize the information content generated from unsupervised tandem MS (MS/MS) and selected ion monitoring (SIM) by directing the MS to target the ions of greatest information content, that is, the most-intact ionic species. We combine these technologies with (13)C- and (15)N-metabolic labeling, multiple derivatization and ionization types, and heuristic filtering of candidate elemental compositions to achieve (1) MS/MS spectra of nearly all intact ion species for structural elucidation, (2) knowledge of carbon and nitrogen atom content for every ion in MS and MS/MS spectra, (3) relative quantification between alternatively labeled samples, and (4) unambiguous annotation of elemental composition.
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