The availability of high resolution mass spectrometry in the study of atomic and molecular clusters opens up challenges for the interpretation of the data. In complex systems each resolved mass peak may contain contributions from multiple species because of the isotope structure of constituent elements and because a multitude of different types of clusters with different compositions are presen...

With recent advances in mass spectrometry (MS) technologies, it is now possible to study protein profiles over a wide range of molecular weights in small biological specimens. However, MS spectra are usually not aligned or synchronized between samples. To ensure the consistency of the subsequent analysis, spectrum alignment is necessary to align the spectra such that the same biological entity ...

Mass Spectrometry has become one of the most popular analysis techniques in Genomics and Systems Biology. We investigate a general framework that allows the alignment (or matching) of any two mass spectra. In particular, we examine the alignment of a reference mass spectrum generated in silico from a database, with a measured sample mass spectrum. In this context, we assess the significance of ...

The electron impact induced fragmentations of some hexaalkyl disiloxanes have been studied with respect to the effect of the size and the positions of different alkyl substituents at the Siatoms. Positional isomers of hexaalkyl disiloxanes differing by the distribution of alkyl groups over both Si-atoms can be easily distinguished by large intensity differences of fragment ions in the 70eV EI-m...

Due to physical and chemical phenomena, a simple sample can give rise to a complex mass spectrum with many more peaks than the number of molecular species present in the sample. We link peaks within and between different spectra, and come up with an advanced analysis approach to produce reliable estimates of the molecule masses and abundances. By linking peaks, we can locate multiple-charge pea...

Motivated from the formation of an initial state of gluon-saturated matter, we discuss scaling relations for the transverse mass spectra at BNL’s Relativistic Heavy-Ion Collider (RHIC). We show on linear plots, that the transverse mass spectra for various hadrons can be described by an universal function in mt. The transverse mass spectra for different centralities can be rescaled into each oth...

A time-of-flight mass spectrometer (TOF-MS) developed in our laboratory at Isfahan University of Technology is described here. The TOF-MS instrument uses laser as the ionization source which provides an opportunity to investigate the ions formed in laser ablation or desorption. The TOF-MS has an ionization chamber containing an accelerator and an ion lens to focus the ions into a one meter line...

The structural elucidation of small molecules using mass spectrometry plays an important role in modern life sciences and bioanalytical approaches. This review covers different soft and hard ionization techniques and figures of merit for modern mass spectrometers, such as mass resolving power, mass accuracy, isotopic abundance accuracy, accurate mass multiple-stage MS(n) capability, as well as ...

Sir: In our laboratories two strategies for obtaining mass spectra of involatile and/or thermally unstable natural products have been used. One is an optimization of sample vaporization, which involves rapid sample heating followed by thermal desorption and ionization under chemical ionization (CI) conditions, that is emitter CI mass spectrometry (emitter CIMS). Recently, we have reported a pre...

Tandem mass spectrometry (MS/MS) experiments often generate redundant data sets containing multiple spectra of the same peptides. Clustering of MS/MS spectra takes advantage of this redundancy by identifying multiple spectra of the same peptide and replacing them with a single representative spectrum. Analyzing only representative spectra results in significant speed-up of MS/MS database search...