mass spectrometryNMR spectroscopyliquid chromatographygas chromatographyisotope labelingabsolute quantitationtargeted analysisQuantitative metabolomics, in which known metabolites in biological mixtures are quantitatively analyzed before statistical analysis, is gaining increased importance in the rapidly growing field of...
1.17.1.1Mass Spectrometry Mass spectrometryis an analytical technique used for characterization of chemical compounds and biological molecules. Mass spectrometers measure masses of ions (mass-to-charge ratios) in gas phase. They are essentially miniature and very accurate molecular scales that measure mass...
Ion mobility (IM) mass spectrometry provides structural information about protein shape and size in the form of an orientationally-averaged collision cross-section (CCSIM). While IM data have been used with various computational methods, they have not yet been utilized to predict monomeric protein ...
High-field NMR spectroscopy and FTICR mass spectrometry: powerful discovery tools for the molecular level characterization of marine dissolved organic matter. Biogeosciences 10, 1583-1624.Hertkorn, N.; Harir, M.; Koch, B. P.; Michalke, B.; Schmitt-Kopplin, P. High- field NMR spectroscopy ...
(NMR) spectroscopy6and mass spectrometry (MS) often coupled with liquid chromatography (LC)7allow to achieve the most comprehensive screening of cancer metabolomes. MS in comparison to NMR, allows the detection of much broader range of compounds with much higher sensitivity, resolution, and ...
This chapter describes the biomedical applications of directly coupled chromatography–nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS). The progress in the coupling of high-performance liquid chromatography (HPLC) and related techniques with NMR spectroscopy over the past decade has...
partial N- or C-terminal sequence analysis, amino acid analysis, peptide mapping or tandem mass spectrometry (MS/MS), performed on speciÐc peptides or proteins that could not be unam- biguously identiÐed after completion of states (i)È(iii). In order to perform MS charting ...
Electron spray ionization mass spectrometry and 2D 31P NMR for monitoring 18O/16O isotope exchange and turnover rates of metabolic oligophosphates. Abstract A new method was here developed for the determination of (18)O-labeling ratios in metabolic oligophosphates, such as ATP, at different phosp...
Metabolomic study of the fever model induced by baker’s yeast and the antipyretic effects of aspirin in rats using nuclear magnetic resonance and gas chromatography-mass spectrometry. J. Pharm. Biomed. Anal. 2013, 81–82, 168–177. [Google Scholar] [CrossRef] Gao, X.; Guo, M.; Peng, ...
Structure elucidation of unknown small molecules by mass spectrometry is a challenge despite advances in instrumentation. The first crucial step is to obtain correct elemental compositions. In order to automatically constrain the thousands of possible ca