LEADER 05530nam 2200673 a 450 001 9910141647203321 005 20200520144314.0 010 $a3-527-65586-7 010 $a1-299-31354-X 010 $a3-527-65589-1 010 $a3-527-65588-3 035 $a(CKB)2670000000337917 035 $a(EBL)1129589 035 $a(OCoLC)829460567 035 $a(SSID)ssj0000904835 035 $a(PQKBManifestationID)11539862 035 $a(PQKBTitleCode)TC0000904835 035 $a(PQKBWorkID)10924820 035 $a(PQKB)10887828 035 $a(OCoLC)829279492 035 $a(MiAaPQ)EBC1129589 035 $a(Au-PeEL)EBL1129589 035 $a(CaPaEBR)ebr10674804 035 $a(CaONFJC)MIL462604 035 $a(PPN)196507618 035 $a(EXLCZ)992670000000337917 100 $a20150303d2013 uy 0 101 0 $aeng 135 $aur|n|---||||| 181 $ctxt 182 $cc 183 $acr 200 00$aMetabolomics in practice$b[electronic resource] $esuccessful strategies to generate and analyze metabolic data /$fedited by Michael La˜mmerhofer and Wolfram Weckwerth 210 $aWeinheim an der Bergstrasse, Germany $cWiley-VCH Verlag GmbH$dc2013 215 $a1 online resource (443 p.) 300 $aDescription based upon print version of record. 311 $a3-527-33089-5 320 $aIncludes bibliographical references and index. 327 $aMetabolomics in Practice; Contents; List of Contributors; Preface; 1 The Sampling and Sample Preparation Problem in Microbial Metabolomics; 1.1 Introduction; 1.2 Microorganisms and Their Properties; 1.3 Sampling Methods; 1.3.1 The Need for Rapid Sampling; 1.3.2 Sampling Systems; 1.4 Quenching; 1.4.1 Quenching Procedures and Their Properties; 1.4.2 Validation of the Quenching Procedure and Minimization of Metabolite Leakage; 1.4.3 Quenching Procedure for Determination of Intracellular Metabolites in the Presence of Extracellular Abundance; 1.4.4 Quenching of Bacteria; 1.5 Metabolite Extraction 327 $a1.5.1 Extraction Methods and Their Properties1.5.2 Validation of Extraction Methods for Yeast Metabolomics; 1.6 Application of 13C-Labeled Internal Standards; 1.7 Conclusions; References; 2 Tandem Mass Spectrometry Hyphenated with HPLC and UHPLC for Targeted Metabolomics; 2.1 Introduction; 2.2 LC-MS-Based Targeted Metabolomics; 2.3 Liquid Chromatography; 2.4 Mass Spectrometry; 2.4.1 Ionization Techniques; 2.4.2 Mass Analyzers; 2.5 Sample Preparation; 2.6 Relative and Absolute Quantification; 2.7 Applications; 2.8 Synopsis; References; 3 Uncertainty of Measurement in Quantitative Metabolomics 327 $a3.1 Introduction3.1.1 MS-Based Techniques in Metabolomics; 3.1.2 Uncertainty of Measurement in Quantitative Analysis; 3.1.2.1 Definition; 3.1.2.2 Uncertainty Calculation According to the Bottom-Up Approach; 3.2 Uncertainties of Quantitative MS Experiments; 3.2.1 Uncertainties in Sample Preparation; 3.2.1.1 Sampling and Sample Preparation in Metabolite Profiling in Fermentations; 3.2.1.2 Calculation of Sample Preparation Uncertainty for Intracellular Metabolite Quantitation in Yeast: A Practical Example; 3.2.1.3 LC-MS 327 $a3.2.2 Uncertainty of Mass Spectrometric Assays (LC-MS and GC-MS Measurements)3.2.2.1 GC-MS; 3.2.2.2 Calculation of Uncertainty for LC-MS Measurements of Cell Extracts: A Practical Example; 3.3 Concluding Remarks; Abbreviations; Acknowledgment; References; 4 Gas Chromatography and Comprehensive Two-Dimensional Gas Chromatography Hyphenated with Mass Spectrometry for Targeted and Nontargeted Metabolomics; 4.1 Introduction and Scope; 4.2 Sample Preparation for GC-Based Metabolite Profiling; 4.3 GC-MS and GC x GC-TOFMS Instrumentation for Metabolomics; 4.4 Data Analysis Strategies and Software 327 $a4.5 Illustrative Examples and Concluding RemarksReferences; 5 LC-MS-Based Nontargeted Metabolomics; 5.1 Introduction; 5.2 LC-MS-Based Untargeted Metabolomics; 5.2.1 LC Issues; 5.2.2 Mass Spectrometry; 5.3 Study Design; 5.4 Sample Preparation; 5.5 Analytical Strategies; 5.6 Data Analysis; 5.7 Metabolite Identification; 5.8 Applications; 5.9 Synopsis; References; 6 The Potential of Ultrahigh Resolution MS (FTICR-MS) in Metabolomics; 6.1 Introduction; 6.2 Metabolomics Technologies; 6.3 Principles of FTICR-MS; 6.3.1 Natural Ion Movement Inside an ICR Cell Subjected to Magnetic and Electric Fields 327 $a6.3.2 Applied Physical Techniques in FTICR-MS 330 $aUnlike other handbooks in this emerging field, this guide focuses on the challenges and critical parameters in running a metabolomics study, including such often-neglected issues as sample preparation, choice of separation and detection method, recording and evaluating data as well as method validation. By systematically covering the entire workflow, from sample preparation to data processing, the insight and advice offered here helps to clear the hurdles in setting up and running a successful analysis, resulting in high-quality data from every experiment.Based on more than a decade of pra 606 $aMetabolism 606 $aMetabolism$xResearch$xMethodology 615 0$aMetabolism. 615 0$aMetabolism$xResearch$xMethodology. 676 $a572.4 701 $aLa˜mmerhofer$b Michael$0932130 701 $aWeckwerth$b Wolfram$0916637 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910141647203321 996 $aMetabolomics in practice$92096778 997 $aUNINA