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Powerful Solutions Tailored for Metabolomics Applications Table of content The Need for Speed in Metabolomics: UHPLC with maXis UHR-Q-TOF-MS Analysis of Tea Extracts Plant Metabolomics Development of an HPLC-TOF-MS screening-platform to assess ppHypSys-dependent metabolic changes in Nicotiana attenuata during insect herbivory Challenges in the investigation of the metabolic changes in Nicotiana attenuata during insect herbivory using an improved HPLC-TOF-MS method Bacterial Metabolomics Analysis of the Intraspecies Variation of Secondary Metabolite Production by Myxococcus xanthus using ESI-TOF-MS...

The Need for Speed in Metabolomics: UHPLC with maXis MS Analysis of Tea Extracts Untargeted metabolic profiling of different black and green tea extracts was performed using a UHPLC and maXis UHR-TOF analytical system. Processed data was submitted to principal component analysis (PCA) to identify compounds differentiating the tea varieties. The compounds' sum formulae were queried in public databases, which enabled the identification of compounds characteristic for Fast separation of complex samples using high-resolution chromatography and state-of-the-art mass spectrometry are required to meet...

Metabolomics Posterbook 2011 Plant Metabolomics Plant Metabolomics MPI Chemical Ecology & Bruker Daltonics DATA EVALUATION Total size of data set: 504 analyses. Principal Component Analysis (PCA) in Bruker ProfileAnalysisTM software. Formula generation using SmartFormulaTM. Kinetic Profiles in Microsoft Office Excel. Drop Page Fields Here Drop Page Fields Here Normalized area Results To filter out the changes influenced by ppHypSys the principal component analysis (PCA) was applied and the impact of specific ions on the grouping of samples was investigated on both a time- and genotype-scale....

Bacterial Metabolomics Bacterial Metabolomics Universität des Saarlandes & Bruker Daltonics Universität des Saarlandes & Bruker Daltonics Analysis of the Intraspecies Variation of Secondary Metabolite Production by Myxococcus xanthus using ESI-TOF-MS and PCA bucketing approach for PCA of complex LC-MS datasets like myxobacterial extracts Bucket Statistics [4] Meiser P, Proc. Natl. Acad. Sci. USA, 103 (50), 19128-19133 (2006) [5] Vos M, Velicer GJ, Appl Environ Microbiol., 72(5), 3615-25 (2006) Myxococcus, novel isolate The exploration of myxobacterial metabolite profiles by LC–MS screening for...

Bacterial Metabolomics Food & Nutrition Bruker Daltonics & HIPS Bruker Daltonics Challenges in Metabolomics addressed by targeted and untargeted UHR-Q-TOF analysis Characterization of black and green tea using ESI-QTOF-MS and data evaluation by principle component analysis that selectivity and speed do not compromise each other. The selectivity in accurate mass and high resolution LC-MS measurements can e.g. be visualized with high resolution EIC traces (hrEIC). Figure 2A shows hrEIC traces of 1mDa width for five metabolites acquired at acquisition rates up to 20Hz. The achieved accuracy is thus...

Food & Nutrition Food & Nutrition Bruker BioSpin & Bruker Daltonics Bruker Daltonics Metabolic Profiling and Fingerprinting of Beverages using LC-MS and NMR Analysis of Whisky by Electrospray FT-ICR Mass Spectrometry: Proof of Origin by Statistical Methods Matthias Witt, Rainer Paape, Jens Fuchser and Jochen Friedrich Mass range m/z 150-700 low resolution: 1 Da buckets Bruker Daltonik GmbH, Bremen, Germany Whisky is a high-class consumed alcoholic beverage with a several billion dollar market. Due to the high value of this liquor counterfeiting and manipulation have been observed. Therefore,...

Affinity Chromatography DataBaseSearch - SciFinder Proposed Structure for Modified Nucleoside Generate Molecular Formula combining Accurate Mass and True Isotopic Pattern Urine Sample Analysis Pathway calibration standard Elemental compositions of nucleosides were suggested using the GenerateMolecularFormula(GMF)-editor which evaluates the formula suggestion using both accurate molecular mass and isotopic pattern match. To improve confidence in the results, the measured isotopic pattern is compared with the theoretical one, generated from the suggested elemental composition (sigma value). The...

Migration time alignment and normalization Fast separation on Detection using MS with bilayer coated capillary high mass accuracy For research use only. Not for use in diagnostic procedures. Fig. 1 Schematic of Analytical Workflow Urine diluted with BGE (1:1) Pre-processing of raw CE-ToF-MS data The described work is part of the TREND (Trauma Related Neuronal Dysfunction) project, for more information please refer to www.trendconsortium.nl Complex Regional Pain Syndrome (CRPS) is a chronic pain condition characterized by a variety of autonomic, sensory, motor and trophic changes. In most cases...

Metabolomics Technology: FT-MS Characterization of dissolved organic matter in marine pore waters by Fourier Transform Ion Cyclotron Resonance Mass Spectrometry Frauke Schmidtl; Boris Koch2; Marcus ElvertJ; Matthias Witt3, Gabriela Zurek3, Kai-Uwe HinrichsJ lDFG-Research Center Ocean Margins, Bremen University, Germany; 2Alfred- Wegener-Institute for Marine Research, Daltonik GmbH, Bremen, Germany Recently, the application of ultrahigh resolution Fourier transform ion cyclotron mass spectrometry (FT-ICR- environments. We used FT-ICR-MS to elucidate the fate of organic matter shortly after deposition...

Metabolomics Technology: LC-MS-NMR Metabolomics Technology: GC-APCI-TOF-MS Bruker BioSpin & Bruker Daltonics LUMC & Bruker Daltonics Integration and Robustness: a Touchstone in Metabolomics Studies GC/APCI with ultra high resolution TOF-MS - analytical validation and applicability to metabolic profiling RSD values of peak intensities Integral Precision typically : RSD < 5% Tiziana Pacchiarotta1, Alegría CarrascoPancorbo1, Ekaterina Nevedomskaya1, Thomas Arthen-Engeland2, Gabriela Zurek2, Jacobus J. van Hilten3, Mike McDonell4, Andre M. Deelder1, Oleg A. Mayboroda1. Results Standard Mixture A...