Mass Spectra
A feedback framework for protein inference with peptides identified from tandem mass spectra
... each protein with shared peptides, we compute the aver- age intensity of peptide siblings and compare this intensity to the intensity of a shared peptide. Some peptides of a protein may have low detectability, but others ...
11
Synthesis and investigation of mass spectra of some novel benzimidazole derivatives
... Infrared spectra were recorded on Perkin-Elmer 337 Spectrophotometer using KBr ...NMR spectra were ob- tained on a Varian EM 360 spectrometer using solu- tion in hexadeuteriodimethyl sulfoxide with tetra- ...
15
Identifying technical aliases in SELDI mass spectra of complex mixtures of proteins
... SELDI-TOF mass spectra of a purified protein demonstrate the presence of peaks representing the protein with single and multiple charges, as well as aggregates of the ...SELDI mass spectra of ...
14
A novel approach to denoising ion trap tandem mass spectra
... the spectra with different charge ...charged spectra in ISB dataset after applying the proposed denoising algo- rithm, ...identified spectra are triply charged. The number of triply charged ...
10
An unsupervised machine learning method for assessing quality of tandem mass spectra
... tandem mass spectra by supervised machine learning methods, which require labelled training datasets to train a ...classify spectra into high-quality or poor-quality ...tandem mass ...
8
A novel approach for simple statistical analysis of high-resolution mass spectra
... atmospheric mass spec- trometry provide huge amounts of new information but at the same time present considerable challenges for the data ...larger mass-to-charge ...method, mass spectral binning ...
16
Algorithms for Peptide Identification from Mixture Tandem Mass Spectra
... ture spectra interpretation, and we want to inspect the influence of precursor abundances on the subsequent MS / MS spectra ...two spectra is adjusted by M = A + αB, in which α is the mixture coe ffi ...
123
Quality Assessment of Tandem Mass Spectra by Using a Weighted K-Means
... tandem mass spec- trometer provides an automated, high-throughput approach widely used to generate peptide (tandem) mass spectral data for the analysis of complex biological protein mixtures ...tandem ...
8
HNMR, 13 C NMR and mass spectra. The biological
... As an effort to synthesize new heterocyclic compounds, which would expected to have pharmacological and biological activities. We report here the reactivity of 1H-indazole-5- carboxamide 2, as Michael acceptors under ...
11
Themis : batch preprocessing for ultrahigh resolution mass spectra of complex mixtures
... full mass spectra in terms of simplicity and reduced computational ...individual spectra loses the oppor- tunity to share information across ...the spectra by focusing upon the con- sistency ...
28
Rhapso : automatic stitching of mass segments from fourier transform ion cyclotron resonance mass spectra
... for mass-spectrometry-based metabolomics and ...stitched spectra after segmented acquisition; however, the data analysis methodology has not been described or made ...maximum mass width investigated ...
8
STRAPS v1.0: evaluating a methodology for predicting electron impact ionisation mass spectra for the aerosol mass spectrometer
... Aerosol Mass Spectrometer (AMS) are capable of quantifying all mass, but because of their inability to isolate individual molecules, comparisons have been limited to simple data products such as total or- ...
13
Label free peptide profiling of Orbitrap™ full mass spectra
... peptide mass peaks in the MS1 spectra result most frequently in better MS2 fragmentation spectra and lead to more identified proteins after searching for peptide sequences in the protein ...sequenced ...
17
Study of Mass Spectra of Some Indole Derivatives
... of mass fragmentation routes by the electron-impact mass spectrometry data has been examined for two open chain intermediates of indole derivatives and two pyrroloquino- ...the mass spectra, ...
5
Automatic interpretation of nucleoside mass spectra
... The pattern recognition methods of statistical linear discriminant function analysis, learning machine approach, distance from the mean, and k-nearest neighbour classification have been [r] ...
262
Mass spectra of the low-lying nonet scalar mesons in the lattice QCD
... At the first we performed a lattice calculation of the κ me- son in the full QCD simulation using the dynamical ferm- ion for the u (d) quark but the valence approximation for the s quark on the 8 3 × 16 lattice with the ...
7
MASS SPECTROMETRIC STUDIES ON POLYPHENYLS PART I: THE MASS SPECTRA OF DIPHENYL, THE TERPHENYLS AND QUARTERPHENYLS EUR 2227 e
... responding considerations for the group ionizations I - Ci to I - C5 and I -C 7 to I -C11 this means for processes which necessarily include the opening of a ring show unsystemati[r] ...
30
Identifying Significant Features Of Mass Spectra Samples For Ovarian Cancer Detection
... nature of these molecules are, their potential to discriminate between these two conditions should be further exploited. The central hypothesis of this approach is as follows: protein or protein fragments produced by ...
6
Substituent effects in the mass spectra of substituted benzils
... curves for each ion integrated over the excess energy transfer function, any substituent effect which alters the relationship between PE,V and the breakdown curves will modify the corres[r] ...
287