Articles with "spectral libraries" as a keyword



Evaluation of spectral libraries and sample preparation for DIA-LC-MS analysis of host cell proteins: A case study of a bacterially expressed recombinant biopharmaceutical protein.

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Published in 2018 at "Protein expression and purification"

DOI: 10.1016/j.pep.2018.03.002

Abstract: Recombinantly expressed biopharmaceutical proteins often undergo a series of purification steps with the aim of removing contaminating material. Depending on the application of the protein, there are various requirements for the degree of purity, but… read more here.

Keywords: protein; biopharmaceutical protein; host cell; spectral libraries ... See more keywords

MSLibrarian: Optimized Predicted Spectral Libraries for Data-Independent Acquisition Proteomics

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Published in 2022 at "Journal of Proteome Research"

DOI: 10.1021/acs.jproteome.1c00796

Abstract: Data-independent acquisition-mass spectrometry (DIA-MS) is the method of choice for deep, consistent, and accurate single-shot profiling in bottom-up proteomics. While classic workflows for targeted quantification from DIA-MS data require auxiliary data-dependent acquisition (DDA) MS analysis… read more here.

Keywords: spectral libraries; data independent; optimized predicted; dia ... See more keywords

Building Spectral Libraries from Narrow-Window Data-Independent Acquisition Mass Spectrometry Data.

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Published in 2022 at "Journal of proteome research"

DOI: 10.1021/acs.jproteome.1c00895

Abstract: Advances in library-based methods for peptide detection from data-independent acquisition (DIA) mass spectrometry have made it possible to detect and quantify tens of thousands of peptides in a single mass spectrometry run. However, many of… read more here.

Keywords: spectral libraries; data independent; acquisition; mass spectrometry ... See more keywords

DIALib-QC an assessment tool for spectral libraries in data-independent acquisition proteomics

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Published in 2020 at "Nature Communications"

DOI: 10.1038/s41467-020-18901-y

Abstract: Data-independent acquisition (DIA) mass spectrometry, also known as Sequential Window Acquisition of all Theoretical Mass Spectra (SWATH), is a popular label-free proteomics strategy to comprehensively quantify peptides/proteins utilizing mass spectral libraries to decipher inherently multiplexed… read more here.

Keywords: data independent; mass; tool; independent acquisition ... See more keywords

Integration of Multisource Spectral Libraries for Spectral Super-Resolution via Benchmark Alignment

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Published in 2025 at "IEEE Transactions on Geoscience and Remote Sensing"

DOI: 10.1109/tgrs.2025.3541211

Abstract: Public spectral library that can provide authentic and reliable spectral information has been widely used in various applications, especially in the spectral library based spectral super-resolution. In general, the joint of multisource spectral libraries from… read more here.

Keywords: spectral super; super resolution; multisource spectral; spectral libraries ... See more keywords

mineMS2: annotation of spectral libraries with exact fragmentation patterns

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Published in 2025 at "Journal of Cheminformatics"

DOI: 10.1186/s13321-025-01051-y

Abstract: Identification is a major challenge in metabolomics due to the large structural diversity of metabolites. Tandem mass spectrometry is a reference technology for studying the fragmentation of molecules and characterizing their structure. Recent instruments can… read more here.

Keywords: fragmentation; annotation spectral; spectral libraries; minems2 annotation ... See more keywords

Memory-Efficient Searching of Gas-Chromatography Mass Spectra Accelerated by Prescreening

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Published in 2022 at "Metabolites"

DOI: 10.3390/metabo12060491

Abstract: The number of metabolomics studies and spectral libraries for compound annotation (i.e., assigning possible compound identities to a fragmentation spectrum) has been growing steadily in recent years. Accompanying this growth is the number of mass… read more here.

Keywords: spectral libraries; mass spectra; compound annotation; memory ... See more keywords

Combining Feature-Based Molecular Networking and Contextual Mass Spectral Libraries to Decipher Nutrimetabolomics Profiles

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Published in 2022 at "Metabolites"

DOI: 10.3390/metabo12101005

Abstract: Untargeted metabolomics approaches deal with complex data hindering structural information for the comprehensive analysis of unknown metabolite features. We investigated the metabolite discovery capacity and the possible extension of the annotation coverage of the Feature-Based… read more here.

Keywords: spectral libraries; contextual mass; mass spectral; annotation ... See more keywords