Interpretation of MS/MS Spectra

Interpretation of Infrared Spectra, A Practical Approach

Data processing algorithms for analysis of high resolution MSMS spectra of peptides with complex patterns of posttranslational modifications.

The emergence of efficient fragmentation methods such as electron capture dissociation (ECD) and electron transfer dissociation (ETD) provides the opportunity for detailed structural characterization of heavily covalently modified large peptides and small proteins such as intact histones. Even with effective gas phase ion isolation so that a single molecular precursor ion is selected, the MSMS ...

Interpretation of Raman spectra of disordered and amorphous carbon

The model and theoretical understanding of the Raman spectra in disordered and amorphous carbon are given. The nature of the G and D vibration modes in graphite is analyzed in terms of the resonant excitation of p states and the long-range polarizability of p bonding. Visible Raman data on disordered, amorphous, and diamondlike carbon are classified in a three-stage model to show the factors th...

Automated interpretation of MS/MS spectra of oligosaccharides

MOTIVATION The emerging glycomics and glycoproteomics projects aim to characterize all forms of glycoproteins in different tissues and organisms. Tandem mass spectrometry (MS/MS) is the key experimental methodology for high-throughput glycan identification and characterization. Fragmentation of glycans from high energy collision-induced dissociation generates ions from glycosidic as well as int...

Interpretation of infrared and Raman spectra of amorphous carbon nitrides

A general framework for the interpretation of infrared and Raman spectra of amorphous carbon nitrides is presented. In the first part of this paper we examine the infrared spectra. The peaks around 1350 and 1550 cm found in the infrared spectrum of amorphous carbon nitride or hydrogenated and hydrogen-free amorphous carbon are shown to originate from the large dynamic charge of the more delocal...