Articles with "spectral library" as a keyword



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Stratification of follicular thyroid tumours using data‐independent acquisition proteomics and a comprehensive thyroid tissue spectral library

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Published in 2022 at "Molecular Oncology"

DOI: 10.1002/1878-0261.13198

Abstract: Thyroid nodules occur in about 60% of the population. A major challenge in thyroid nodule diagnosis is to distinguish between follicular adenoma (FA) and carcinoma (FTC). Here, we present a comprehensive thyroid spectral library covering… read more here.

Keywords: thyroid; comprehensive thyroid; thyroid tumours; follicular thyroid ... See more keywords
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The Generation of a Comprehensive Spectral Library for the Analysis of the Guinea Pig Proteome by SWATH‐MS

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Published in 2019 at "Proteomics"

DOI: 10.1002/pmic.201900156

Abstract: Advances in liquid chromatography‐mass spectrometry have facilitated the incorporation of proteomic studies to many biology experimental workflows. Data‐independent acquisition platforms, such as sequential window acquisition of all theoretical mass spectra (SWATH‐MS), offer several advantages for… read more here.

Keywords: guinea; guinea pig; comprehensive spectral; swath ... See more keywords
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BMDMS-NP: A comprehensive ESI-MS/MS spectral library of natural compounds.

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Published in 2020 at "Phytochemistry"

DOI: 10.1016/j.phytochem.2020.112427

Abstract: The Bioinformatics & Molecular Design Research Center Mass Spectral Library - Natural Products (BMDMS-NP) is a library containing the mass spectra of natural compounds, especially plant specialized metabolites. At present, the library contains the electrospray… read more here.

Keywords: natural compounds; esi spectral; bmdms comprehensive; comprehensive esi ... See more keywords
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Discovery of N-Acyl Amino Acids and Novel Related N-, O-Acyl Lipids by Integrating Molecular Networking and an Extended In Silico Spectral Library.

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Published in 2023 at "Analytical chemistry"

DOI: 10.1021/acs.analchem.2c04822

Abstract: Research on novel bioactive lipids has garnered increasing interest. Although lipids can be identified by searching mass spectral libraries, the discovery of novel lipids remains challenging as the query spectra of such lipids are not… read more here.

Keywords: spectral library; acyl lipids; extended silico; molecular networking ... See more keywords
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An In Silico Infrared Spectral Library of Molecular Ions for Metabolite Identification.

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Published in 2023 at "Analytical chemistry"

DOI: 10.1021/acs.analchem.3c01078

Abstract: Infrared ion spectroscopy (IRIS) continues to see increasing use as an analytical tool for small-molecule identification in conjunction with mass spectrometry (MS). The IR spectrum of an m/z selected population of ions constitutes a unique… read more here.

Keywords: infrared spectral; identification; spectral library; molecular ions ... See more keywords
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Investigation of Effects of the Spectral Library on Analysis of diaPASEF Data.

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Published in 2021 at "Journal of proteome research"

DOI: 10.1021/acs.jproteome.1c00899

Abstract: Targeted analysis of data-independent acquisition (DIA) data needs a spectral library, which is generated by data-dependent acquisition (DDA) experiments or directly from DIA data. A comparison of the DDA library and DIA library in analyzing… read more here.

Keywords: dia data; spectral library; diapasef data; analysis diapasef ... See more keywords
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Sensitive and Specific Spectral Library Searching with CompOmics Spectral Library Searching Tool and Percolator.

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Published in 2022 at "Journal of proteome research"

DOI: 10.1021/acs.jproteome.2c00075

Abstract: Maintaining high sensitivity while limiting false positives is a key challenge in peptide identification from mass spectrometry data. Here, we investigate the effects of integrating the machine learning-based postprocessor Percolator into our spectral library searching… read more here.

Keywords: spectral library; percolator; compomics spectral; searching tool ... See more keywords
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MS Ana: Improving Sensitivity in Peptide Identification with Spectral Library Search

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Published in 2023 at "Journal of Proteome Research"

DOI: 10.1021/acs.jproteome.2c00658

Abstract: Spectral library search can enable more sensitive peptide identification in tandem mass spectrometry experiments. However, its drawbacks are the limited availability of high-quality libraries and the added difficulty of creating decoy spectra for result validation.… read more here.

Keywords: sensitivity peptide; library search; peptide identification; spectral library ... See more keywords
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Epsilon-Q: An Automated Analyzer Interface for Mass Spectral Library Search and Label-Free Protein Quantification.

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Published in 2017 at "Journal of proteome research"

DOI: 10.1021/acs.jproteome.6b01019

Abstract: Mass spectrometry (MS) is a widely used proteome analysis tool for biomedical science. In an MS-based bottom-up proteomic approach to protein identification, sequence database (DB) searching has been routinely used because of its simplicity and… read more here.

Keywords: protein; search; label free; interface ... See more keywords
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Multi-Reference Spectral Library Yields Almost Complete Coverage of Heterogeneous LC-MS/MS Data Sets.

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Published in 2019 at "Journal of proteome research"

DOI: 10.1021/acs.jproteome.8b00819

Abstract: Spectral libraries play a central role in the analysis of data-independent-acquisition (DIA) proteomics experiments. A main assumption in current spectral library tools is that a single characteristic intensity pattern (CIP) suffices to describe the fragmentation… read more here.

Keywords: data sets; library; almost complete; coverage heterogeneous ... See more keywords
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A primary human T-cell spectral library to facilitate large scale quantitative T-cell proteomics

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Published in 2020 at "Scientific Data"

DOI: 10.1038/s41597-020-00744-3

Abstract: Data independent analysis (DIA) exemplified by sequential window acquisition of all theoretical mass spectra (SWATH-MS) provides robust quantitative proteomics data, but the lack of a public primary human T-cell spectral library is a current resource… read more here.

Keywords: human cell; primary human; cell; cell spectral ... See more keywords