Mass appeal: metabolite identification in mass spectrometry-focused untargeted metabolomics
出版年份 2012 全文链接
标题
Mass appeal: metabolite identification in mass spectrometry-focused untargeted metabolomics
作者
关键词
Capillary electrophoresis, Metabolomics, Metabolite identification, Structure elucidation, Mass spectrometry, Gas chromatography, Liquid chromatography, Ultra performance liquid chromatography, DIMS
出版物
Metabolomics
Volume 9, Issue S1, Pages 44-66
出版商
Springer Nature
发表日期
2012-05-25
DOI
10.1007/s11306-012-0434-4
参考文献
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注意:仅列出部分参考文献,下载原文获取全部文献信息。- A Comparison of Self-Reported Analgesic Use and Detection of Urinary Ibuprofen and Acetaminophen Metabolites by Means of Metabonomics: The INTERMAP Study
- (2012) R. L. Loo et al. AMERICAN JOURNAL OF EPIDEMIOLOGY
- Consensus Structure Elucidation Combining GC/EI-MS, Structure Generation, and Calculated Properties
- (2012) Emma L. Schymanski et al. ANALYTICAL CHEMISTRY
- IDEOM: an Excel interface for analysis of LC–MS-based metabolomics data
- (2012) Darren J. Creek et al. BIOINFORMATICS
- Computational Prediction of Metabolism: Sites, Products, SAR, P450 Enzyme Dynamics, and Mechanisms
- (2012) Johannes Kirchmair et al. Journal of Chemical Information and Modeling
- Nearline acquisition and processing of liquid chromatography-tandem mass spectrometry data
- (2012) Steffen Neumann et al. Metabolomics
- msCompare: A Framework for Quantitative Analysis of Label-free LC-MS Data for Comparative Candidate Biomarker Studies
- (2012) Berend Hoekman et al. MOLECULAR & CELLULAR PROTEOMICS
- Performance Evaluation of Gas Chromatography–Atmospheric Pressure Chemical Ionization–Time-of-Flight Mass Spectrometry for Metabolic Fingerprinting and Profiling
- (2011) Christian J. Wachsmuth et al. ANALYTICAL CHEMISTRY
- Automated Strategies To Identify Compounds on the Basis of GC/EI-MS and Calculated Properties
- (2011) Emma L. Schymanski et al. ANALYTICAL CHEMISTRY
- ApplyingIn-SilicoRetention Index and Mass Spectra Matching for Identification of Unknown Metabolites in Accurate Mass GC-TOF Mass Spectrometry
- (2011) Sangeeta Kumari et al. ANALYTICAL CHEMISTRY
- Characterization of Isotopic Abundance Measurements in High Resolution FT-ICR and Orbitrap Mass Spectra for Improved Confidence of Metabolite Identification
- (2011) Ralf J. M. Weber et al. ANALYTICAL CHEMISTRY
- High-Throughput, Accurate Mass Metabolome Profiling of Cellular Extracts by Flow Injection–Time-of-Flight Mass Spectrometry
- (2011) Tobias Fuhrer et al. ANALYTICAL CHEMISTRY
- PeakML/mzMatch: A File Format, Java Library, R Library, and Tool-Chain for Mass Spectrometry Data Analysis
- (2011) Richard A. Scheltema et al. ANALYTICAL CHEMISTRY
- CAMERA: An Integrated Strategy for Compound Spectra Extraction and Annotation of Liquid Chromatography/Mass Spectrometry Data Sets
- (2011) Carsten Kuhl et al. ANALYTICAL CHEMISTRY
- Toward Global Metabolomics Analysis with Hydrophilic Interaction Liquid Chromatography–Mass Spectrometry: Improved Metabolite Identification by Retention Time Prediction
- (2011) Darren J. Creek et al. ANALYTICAL CHEMISTRY
- Serum Lipidomics Profiling Using LC–MS and High-Energy Collisional Dissociation Fragmentation: Focus on Triglyceride Detection and Characterization
- (2011) Susan S. Bird et al. ANALYTICAL CHEMISTRY
- Elemental composition determination based on MSn
- (2011) Miguel Rojas-Chertó et al. BIOINFORMATICS
- Automated workflows for accurate mass-based putative metabolite identification in LC/MS-derived metabolomic datasets
- (2011) M. Brown et al. BIOINFORMATICS
- Proline betaine and its biotransformation products in fasting urine samples are potential biomarkers of habitual citrus fruit consumption
- (2011) Amanda J. Lloyd et al. BRITISH JOURNAL OF NUTRITION
- Mass Spectrometry Strategies in Metabolomics
- (2011) Zhentian Lei et al. JOURNAL OF BIOLOGICAL CHEMISTRY
- Enhancement of xylose uptake in 2-deoxyglucose tolerant mutant of Saccharomyces cerevisiae
- (2011) Prihardi Kahar et al. JOURNAL OF BIOSCIENCE AND BIOENGINEERING
- Localization of Fatty Acyl and Double Bond Positions in Phosphatidylcholines Using a Dual Stage CID Fragmentation Coupled with Ion Mobility Mass Spectrometry
- (2011) Jose Castro-Perez et al. JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
- Procedures for large-scale metabolic profiling of serum and plasma using gas chromatography and liquid chromatography coupled to mass spectrometry
- (2011) Warwick B Dunn et al. Nature Protocols
- Recommendations for Reporting Metabolite Data
- (2011) A. R. Fernie et al. PLANT CELL
- Modulation of the Major Paths of Carbon in Photorespiratory Mutants of Synechocystis
- (2011) Jan Huege et al. PLoS One
- TARDIS-based microbial metabolomics: time and relative differences in systems
- (2011) Catherine L. Winder et al. TRENDS IN MICROBIOLOGY
- Advances in metabolite identification
- (2011) David S Wishart Bioanalysis
- Evaluation of Accurate Mass and Relative Isotopic Abundance Measurements in the LTQ-Orbitrap Mass Spectrometer for Further Metabolomics Database Building
- (2010) Ying Xu et al. ANALYTICAL CHEMISTRY
- A Strategy for the Determination of the Elemental Composition by Fourier Transform Ion Cyclotron Resonance Mass Spectrometry Based on Isotopic Peak Ratios
- (2010) Daisuke Miura et al. ANALYTICAL CHEMISTRY
- HILIC-UPLC-MS for Exploratory Urinary Metabolic Profiling in Toxicological Studies
- (2010) Konstantina Spagou et al. ANALYTICAL CHEMISTRY
- Polyphenol Identification Based on Systematic and Robust High-Resolution Accurate Mass Spectrometry Fragmentation
- (2010) Justin J. J. van der Hooft et al. ANALYTICAL CHEMISTRY
- In silico fragmentation for computer assisted identification of metabolite mass spectra
- (2010) Sebastian Wolf et al. BMC BIOINFORMATICS
- Systems level studies of mammalian metabolomes: the roles of mass spectrometry and nuclear magnetic resonance spectroscopy
- (2010) Warwick B. Dunn et al. CHEMICAL SOCIETY REVIEWS
- MI-Pack: Increased confidence of metabolite identification in mass spectra by integrating accurate masses and metabolic pathways
- (2010) Ralf J.M. Weber et al. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
- Robust Early Pregnancy Prediction of Later Preeclampsia Using Metabolomic Biomarkers
- (2010) Louise C. Kenny et al. HYPERTENSION
- Selectable one-dimensional or two-dimensional gas chromatography–olfactometry/mass spectrometry with preparative fraction collection for analysis of ultra-trace amounts of odor compounds
- (2010) Nobuo Ochiai et al. JOURNAL OF CHROMATOGRAPHY A
- PREPARATIVE ISOLATION AND PURIFICATION OF FLAVONE C-GLYCOSIDES FROM THE LEAVES OFFICUS MICROCARPAL.f BY MEDIUM-PRESSURE LIQUID CHROMATOGRAPHY, HIGH-SPEED COUNTERCURRENT CHROMATOGRAPHY, AND PREPARATIVE LIQUID CHROMATOGRAPHY
- (2010) Xiaohong Wang et al. JOURNAL OF LIQUID CHROMATOGRAPHY & RELATED TECHNOLOGIES
- MassBank: a public repository for sharing mass spectral data for life sciences
- (2010) Hisayuki Horai et al. JOURNAL OF MASS SPECTROMETRY
- Integrated Ionization Approach for RRLC−MS/MS-based Metabonomics: Finding Potential Biomarkers for Lung Cancer
- (2010) Zhuoling An et al. JOURNAL OF PROTEOME RESEARCH
- 1H NMR-Based Metabonomic Investigation of the Effect of Two Different Exercise Sessions on the Metabolic Fingerprint of Human Urine
- (2010) Alexandros Pechlivanis et al. JOURNAL OF PROTEOME RESEARCH
- Decision tree supported substructure prediction of metabolites from GC-MS profiles
- (2010) Jan Hummel et al. Metabolomics
- Analytical platform for metabolome analysis of microbial cells using methyl chloroformate derivatization followed by gas chromatography–mass spectrometry
- (2010) Kathleen F Smart et al. Nature Protocols
- Metabolome and water homeostasis analysis of Thellungiella salsuginea suggests that dehydration tolerance is a key response to osmotic stress in this halophyte
- (2010) Raphaël Lugan et al. PLANT JOURNAL
- Genome-minimized Streptomyces host for the heterologous expression of secondary metabolism
- (2010) M. Komatsu et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Strategy for the elucidation of elemental compositions of trace analytes based on a mass resolution of 100 000 full width at half maximum
- (2010) Anton Kaufmann RAPID COMMUNICATIONS IN MASS SPECTROMETRY
- Mass spectrometry tools and metabolite-specific databases for molecular identification in metabolomics
- (2009) M. Brown et al. ANALYST
- 13C Isotope-Labeled Metabolomes Allowing for Improved Compound Annotation and Relative Quantification in Liquid Chromatography-Mass Spectrometry-based Metabolomic Research
- (2009) Patrick Giavalisco et al. ANALYTICAL CHEMISTRY
- Dual Labeling of Metabolites for Metabolome Analysis (DLEMMA): A New Approach for the Identification and Relative Quantification of Metabolites by Means of Dual Isotope Labeling and Liquid Chromatography−Mass Spectrometry
- (2009) Liron Feldberg et al. ANALYTICAL CHEMISTRY
- FiehnLib: Mass Spectral and Retention Index Libraries for Metabolomics Based on Quadrupole and Time-of-Flight Gas Chromatography/Mass Spectrometry
- (2009) Tobias Kind et al. ANALYTICAL CHEMISTRY
- Automated procedure for candidate compound selection in GC-MS metabolomics based on prediction of Kovats retention index
- (2009) V. V. Mihaleva et al. BIOINFORMATICS
- Metabolite signal identification in accurate mass metabolomics data with MZedDB, an interactive m/z annotation tool utilising predicted ionisation behaviour 'rules'
- (2009) John Draper et al. BMC BIOINFORMATICS
- NMR-Based Microbial Metabolomics and the Temperature-Dependent Coral PathogenVibrio coralliilyticus
- (2009) Arezue F. B. Boroujerdi et al. ENVIRONMENTAL SCIENCE & TECHNOLOGY
- Post Analysis Data Acquisition for the Iterative MS/MS Sampling of Proteomics Mixtures
- (2009) Michael R. Hoopmann et al. JOURNAL OF PROTEOME RESEARCH
- Spectral accuracy of molecular ions in an LTQ/Orbitrap mass spectrometer and implications for elemental composition determination
- (2009) John C. L. Erve et al. JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
- Metabolomics-driven quantitative analysis of ammonia assimilation in E. coli
- (2009) Jie Yuan et al. Molecular Systems Biology
- KEGG for representation and analysis of molecular networks involving diseases and drugs
- (2009) Minoru Kanehisa et al. NUCLEIC ACIDS RESEARCH
- Changes in the Metabolic Footprint of Placental Explant-Conditioned Culture Medium Identifies Metabolic Disturbances Related to Hypoxia and Pre-Eclampsia
- (2009) W.B. Dunn et al. PLACENTA
- Integrated Metabolite and Transcript Profiling Identify a Biosynthetic Mechanism for Hispidol in Medicago truncatula Cell Cultures
- (2009) M. A. Farag et al. PLANT PHYSIOLOGY
- Assessment of Metabolome Annotation Quality: A Method for Evaluating the False Discovery Rate of Elemental Composition Searches
- (2009) Fumio Matsuda et al. PLoS One
- Metabolomics analysis reveals large effects of gut microflora on mammalian blood metabolites
- (2009) W. R. Wikoff et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Method for Small-Molecule Discovery Based on Microscale-Preparative Multidimensional Gas Chromatography Isolation with Nuclear Magnetic Resonance Spectroscopy
- (2008) Graham T. Eyres et al. ANALYTICAL CHEMISTRY
- High-Resolution Direct Infusion-Based Mass Spectrometry in Combination with Whole13C Metabolome Isotope Labeling Allows Unambiguous Assignment of Chemical Sum Formulas
- (2008) Patrick Giavalisco et al. ANALYTICAL CHEMISTRY
- Mass Spectral Metabonomics beyond Elemental Formula: Chemical Database Querying by Matching Experimental with Computational Fragmentation Spectra
- (2008) Dennis W. Hill et al. ANALYTICAL CHEMISTRY
- 1H NMR and UPLC-MSEStatistical Heterospectroscopy: Characterization of Drug Metabolites (Xenometabolome) in Epidemiological Studies
- (2008) Derek J. Crockford et al. ANALYTICAL CHEMISTRY
- Probabilistic assignment of formulas to mass peaks in metabolomics experiments
- (2008) Simon Rogers et al. BIOINFORMATICS
- CE-MS in metabolomics
- (2008) Rawi Ramautar et al. ELECTROPHORESIS
- Retention index thresholds for compound matching in GC–MS metabolite profiling
- (2008) Nadine Strehmel et al. JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES
- Dysregulation of lipid and amino acid metabolism precedes islet autoimmunity in children who later progress to type 1 diabetes
- (2008) Matej Orešič et al. JOURNAL OF EXPERIMENTAL MEDICINE
- Determination of ion structures in structurally related compounds using precursor ion fingerprinting
- (2008) Michelle T. Sheldon et al. JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
- A new approach to toxicity testing in Daphnia magna: application of high throughput FT-ICR mass spectrometry metabolomics
- (2008) Nadine S. Taylor et al. Metabolomics
- Recent developments in environmental metabolomics
- (2008) Mark R. Viant Molecular BioSystems
- A consensus yeast metabolic network reconstruction obtained from a community approach to systems biology
- (2008) Markus J Herrgård et al. NATURE BIOTECHNOLOGY
- High-throughput, nontargeted metabolite fingerprinting using nominal mass flow injection electrospray mass spectrometry
- (2008) Manfred Beckmann et al. Nature Protocols
- Metabolite annotations based on the integration of mass spectral information
- (2008) Yoko Iijima et al. PLANT JOURNAL
- Increasing the mass accuracy of high-resolution LC-MS data using background ions - a case study on the LTQ-Orbitrap
- (2008) Richard A. Scheltema et al. PROTEOMICS
- FiD: a software forab initiostructural identification of product ions from tandem mass spectrometric data
- (2008) Markus Heinonen et al. RAPID COMMUNICATIONS IN MASS SPECTROMETRY
- LC-MS-based methodology for global metabolite profiling in metabonomics/metabolomics
- (2008) Georgios Theodoridis et al. TRAC-TRENDS IN ANALYTICAL CHEMISTRY
- LC–MS-based metabonomics analysis
- (2007) Xin Lu et al. JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES
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