viQC: visual and intuitive quality control for mass spectrometry based proteome analysis
T16N1
E.M. Solovyeva, A.A. Lobas, A.K. Surin, L.I. Levitsky, V.A. Gorshkov, M.V. Gorshkov
Mass spectrometry-based bottom-up proteomics becomes a method of choice in a broad range of biomedical studies. However, because of the growing complexity of the mass spectrometers employed in these studies, there is an increasing need for robust and rapid quality control over the instrument performance. A variety of quality control tools targeting all aspects of LC-MS instrument operation have been developed recently. These tools are typically loaded heavily with a large number of metrics. Many of these metrics are difficult for interpretation for the regular users without extensive instrumentation and/or data processing experience. In this work, we introduced a set of simple and intuitively understandable metrics for assessing the quality of proteomic analysis, including the total experimental time and the number of spectral scans, ion accumulation time and intensity in both MS and MS/MS spectra, charge state distribution for precursor peptide ions, and the number of sequential MS/MS scans, etc. These metrics are implemented as an open-source utility, viQC, freely available at hg.theorchromo.ru/viQC. The developed tool has been tested experimentally using data from three different Orbitrap instruments and demonstrated its capability for assessing the possible flaws in the instrument’s operation and subsequent improving the efficiency of proteomic analysis.
Selection of registration conditions and fragmentation study of peptide biomarker of sarin by high-performance liquid chromatography high-resolution mass spectrometry
T15N1
A.N. Stavrianidi, A.V. Braun, E.A. Stekolshchikova, T.M. Baygildiev, I.A. Rodin, I.V. Rybalchenko
Identification of protein biomarkers of chemical warfare agents requires their reliable detection in the blood plasma at trace levels. This is a challenging task in the modern liquid chromatography-mass spectrometry. Existing approaches are based on the formation of tyrosine adducts with alkylmethylphosphonic acids after the cleavage of all proteins. The structure of such adducts is related to the type of chemical agent used. In this study, the possibility of detecting the tripeptide adduct of isopropylmethylphosphonic acid, obtained by trypsinolysis of the albumin adduct with sarin, in human plasma was shown. The study of the fragmentation ways of this analyte made it possible to identify the characteristic features of dissociation that can be used to determine other biomarkers of the application of chemical weapon. The conditions for recording the most intense ion transitions for rapid screening of blood plasma samples for the content of the albumin adduct of sarin with trypsinolysis according to the filter aided sample preparation method are described.
Characterization of disinfection by-products in tap water of Arkhangelsk by liquid chromatography/high-resolution mass spectrometry
T14N4
D.S. Kosyakov, N.V. Ul’yanovskii, M.S. Popov, T.B. Latkin, A.T. Lebedev
Disinfection of drinking water with chlorine-containing reagents leads to the formation of a large number of disinfection by-products resulting from the chlorination of natural dissolved organic matter. High-performance liquid chromatography/high-resolution mass spectrometry with preliminary solid-phase concentration on a polymeric sorbent was used to study the component composition of halogen-containing disinfection by-products in the tap water in Arkhangelsk. Fourteen chlorinated and brominated organic compounds belonging to classes of halophenols, aromatic acids and carbonyl compounds, chlorine-substituted nitrogen-containing heterocyclic compounds have been found. Based on the analysis of MS/MS spectra data, the possible structures of detected disinfection by-products are proposed.
Stereospecific fragmentation of starfish polyhydroxysteroids in electrospray ionization mass spectrometry
T13N1
R.S. Popov, P.S. Dmitrenok
GroupFilter: a software tool for efficient filtering of Morpheus search engine results
T12N4
M.V. Ivanov, L.I. Levitsky, A.A. Lobas, M.V. Gorshkov Читать полностью
Determination of flavonoids of Epimedium by high performance liquid chromatography with tandem mass spectrometric detection
T12N2
O.A. Shevlyakova, K.J. Vasil’yev, A.A. Ihalaynen, A.M. Antokhin,
V.F. Taranchenko, V.M. Goncharov, A.V. Aksenov, D.A. Mitrofanov,
I.A. Rodin, O.A. Shpigun
An approach for simultaneous detection of icariin, icaritin, icarisides I, II, epimedins A, B, C in extracts from plants and сommегсial pгoduсts was developed on the basis of liquid chromatography/mass spectrometry. Using the dry and liquid extracts of Epimedium and the tea, the validation of the approach was carried out. Limits of detection were 5×10−4 mkg ml−1. For compounds determination, electrospray ionization in positive ion mode and tandem mass spectrometric detection in multiple reaction monitoring mode were used.
Electrospray ionization mass spectra of derivatives of 2-phenylthio-N-trifluoroacetylneuraminic acid
T12N1
Electrospray ionization mass spectra of derivatives
of 2-phenylthio-N-trifluoroacetylneuraminic acid
A.O. Chizhov, N.M. Podvalnyy, A.I. Zinin, N.N. Malysheva, L.O. Kononov
Peptide identifications in «shotgun» proteomics using tandem mass spectrometry
T12N1
Peptide identifications in «shotgun» proteomics using tandem
mass spectrometry: comparison of search engine algorithms
M.V. Ivanov, L.I. Levitsky, A.A. Lobas, I.A. Tarasova, M.L. Pridatchenko,
V.G. Zgoda, S.A. Moshkovskii, G. Mitulovic, M.V. Gorshkov
Application of tandem electrospray/ionization mass spectrometry for identification of icariin in plant materials
T11N4
Application of tandem electrospray/ionization mass spectrometry
for identification of icariin in plant materials
O.A. Shevlyakova, A.A. Ihalaynen, A.M. Antokhin, V.F. Taranchenko, V.M. Goncharov,
A.V. Aksenov, D.A. Mitrofanov, I.A. Rodin, O.A. Shpigun
Pepxmltk — a format converter for peptide identification results obtained
T11N3
Pepxmltk — a format converter for peptide identification results
obtained from tandem mass spectrometry data using X!Tandem
search engine
M.V. Ivanov1,2, L.I. Levitsky1,2, I.A. Tarasova1, M.V. Gorshkov1,2 Читать полностью
