The present study describes the fragmentation under electron ionization (EI) of gas phase serine and threonine amino acids. Ab initio methods were performed to calculate the fragmentation paths and interpret the mass spectra. The six lowest energy conformers of L-serine, L-threonine and L-allo-threonine were obtained with B3LYP, G3MP2 and MP2 methods. The adiabatic and vertical ionizat...

BACKGROUND Historically the success of mass spectrometry in the clinical laboratory has focused on drugs of abuse confirmations, newborn screening, and steroid analysis. Clinical applications of mass spectrometry continue to expand, and mass spectrometry is now being used in almost all areas of laboratory medicine. CONTENT A brief background of the evolution of mass spectrometry in the clinic...

The integration of a trapped ion mobility spectrometer (TIMS) with a mass spectrometer (MS) for complementary fast, gas-phase mobility separation prior to mass analysis (TIMS-MS) is described. The ion transmission and mobility separation are discussed as a function of the ion source condition, bath gas velocity, analysis scan speed, RF ion confinement, and downstream ion optical conditions. TIM...

Ion mobility spectrometry (IMS) coupled to orthogonal time-of-flight mass spectrometry (TOF) has shown significant promise for the characterization of complex biological mixtures. The enormous complexity of biological samples (e.g., from proteomics) and the need for both biological and technical analysis replicates imposes major challenges for multidimensional separation platforms with regard t...

Abbreviations: PTMs=post-translational modifi cations; PPIs=protein-protein interactions; SDS-PAGE= sodium dodecyl sulfate-polyacrylamide gel electrophoresis; 2D-PAGE=two-dimensional polyacrylamide gel electrophoresis; MS=mass spectrometry; ESI=electrospray ionization; MALDI=Matrix Assisted Laser Desorption Ionization; ESI-MS=electrospray ionization mass spectrometry; MALDI-MS=MALDI mass spectr...

From a traditional perspective, mass spectrometry and polymer analysis appear to be incompatible. Mass spectrometry requires gas-phase ions for a successful analysis and polymers are composed of large, often entangled macromolecules that are not readily converted to gas-phase species. Despite these natural difficulties, mass spectrometry techniques have been developed to characterize the chemic...

Mass spectrometry-based investigation of clinical samples enables the high-throughput identification of protein biomarkers. We provide an overview of mass spectrometry-based proteomic techniques that are applicable to the investigation of clinical samples. We address sample collection, protein extraction and fractionation, mass spectrometry modalities, and quantitative proteomics. Finally, we e...

Mass spectrometry imaging (MSI), a rapidly growing subfield of chemical imaging, employs mass spectrometry (MS) technologies to create single- and multi-dimensional localization maps for a variety of atoms and molecules. Complimentary to other imaging approaches, MSI provides high chemical specificity and broad analyte coverage. This powerful analytical toolset is capable of measuring the distr...

Background and Purpose Vulvovaginal candidiasis (VVC) is a common problem in women. The purpose of this study was to identify of Candida species isolated from vulvovaginitis woman suffering vulvovaginitis refered to Ghaem Hospital, Mashhad, Iran, by use of MALDI-TOF mass spectrometry.  Materials and Methods The 65 clinical samples isolated from Vulvovaginitis women were collected in...

Along with the wide application of mass spectrometry in proteomics, more and more mass spectrometry data are becoming publicly available. Several public mass spectrometry data repositories have been built on the Internet. However, most of these repositories are devoid of effective searching methods. In this paper we describe a new mass spectrometry data library, and a novel method to efficientl...