Fourier Transform Mass Spectrometry, Mixture Complexity and Data Interpretation
The measurement of the exact mass of a molecule with high enough resolution and accuracy brings the chemical analysis to a new scale of interpretation. The access granted to the full stoichiometric content of a large variety of mixtures requires new dedicated tools for description and analysis. In Earth and Planetary Science fields, FT-MS is becoming the technique of choice for 4 main purposes: 1-Isotopic and elemental composition 2-Molecular and structure identification 3-Chemical patterns and mixture complexity 4-Variability in time and space Each point raises typical issues with peculiar algorithmic solutions. This workshop is an invitation for researchers to present how they find trustworthy molecular formulas from exact masses, interpret MS² fragmentation patterns, compare hundreds of spectra in time (chromatography) or space (mapping) or describe the complexity of a mixture itself. We will focus on the intimate link between the analytical tools and the scientific goals, trying to bring out similarities, regardless of the actual field in which measurement are carried out. Content: The workshop will focus on the description of the different tools used by different groups. Each theme will be illustrated by a couple of speakers presenting a particular issue and how it is solved. Live demonstration of tool performances are encouraged and should be part of discussions as well.