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MetabolomicsPublic LC-Orbitrap-MS/MS Spectral Library for Metabolite Identification

Liquid chromatography-mass spectrometry (LC-MS)-based untargeted metabolomics studies require high-quality spectral libraries for reliable metabolite identification. We have constructed EMBL-MCF (European Molecular Biology Laboratory-Metabolomics Core Facility), an open LC-MS/MS spectral library ...

2020-09-28 | MTBLS1861 | MetaboLights
MetabolomicsCustomized Consensus Spectral Library Building for Untargeted Quantitative Metabolomics Analysis with Data Independent Acquisition Mass Spectrometry and MetaboDIA Workflow
Data independent acquisition-mass spectrometry (DIA-MS) coupled with liquid chromatography is a promising approach for rapid, automatic sampling of MS/MS data in untargeted metabolomics. However, wide isolation windows in DIA-MS generate MS/MS spectra containing a mixed population of fragment ions t...
2018-03-26 | MTBLS417 | MetaboLights
ProteomicsProtein Contaminants Matter: Building Universal Protein Contaminant Libraries for DDA and DIA Proteomics
Mass spectrometry-based proteomics is challenged by the presence of contaminant background signals. In particular, protein contaminants from reagents and sample handling are often abundant and almost impossible to avoid, reducing the sensitivity, specificity and reproducibility of protein identifica...
ORGANISM(S): Homo Sapiens (ncbitaxon:9606) Mus Musculus (ncbitaxon:10090) 
2022-01-21 | MSV000088714 | MassIVE
ProteomicsEvaluation of library-free strategies for phosphoproteomics and ubiquitinomics data-independent acquisition data
Phosphoproteomics and ubiquitinomics data-independent acquisition MS data is generally analyzed using a DDA spectral library. Performance of different library-free strategies of analyzing phosphoproteomics and ubiquitinomics DIA MS data are not evaluated. In this study, we assess three library-free ...
ORGANISM(S): Homo Sapiens 
2023-05-17 | PXD037870 |
MetabolomicsLipid Data Analyzer: The LDA algorithm against the in silico library LipidBlast (LipidBlast benchmarking experiment)
Lipid Data Analyzer (LDA; http://genome.tugraz.at/lda2) provides automated and reliable annotation of lipid species and their molecular structures in high-throughput data from chromatography-coupled tandem mass spectrometry using embedded rule sets. Using various low- and high-resolution mass spectr...
2017-11-07 | MTBLS397 | MetaboLights
ProteomicsRecombinant SWATH library for identification of low abundant human plasma proteins
Recombinant SWATH library for identification of low abundant human plasma proteins
ORGANISM(S): Homo Sapiens (ncbitaxon:9606) 
2020-11-04 | MSV000086411 | MassIVE
MetabolomicsDIAMetAlyzer allows automated false-discovery rate-controlled analysis for data-independent acquisition in metabolomics
The extraction of meaningful biological knowledge from high-throughput mass spectrometry data relies on limiting false discoveries to a manageable amount. For targeted approaches in metabolomics a main challenge is the detection of false positive metabolic features in the low signal-to-noise ranges ...
2022-09-05 | MTBLS1108 | MetaboLights
ProteomicsCreation of a Candida albicans spectral library by Data Dependent Acquisition (DDA)
The incidence of candidiasis, caused mainly by the opportunistic fungal Candida albicans, remains a major concern in public health due to the emerging antifungal resistance. C. albicans modulates their proteome under different conditions trying to cope with several stressors in host niches. In this ...
ORGANISM(S): Candida albicans (Yeast) 
2021-09-30 | PXD020195 | Pride
Candida albicans Macrophages Dda ms Dia ms Hydrogen peroxide Acetic acid Spectral library 
ProteomicsCavia porcellus spectral library
The guinea pig (cavia porcellus) is an excellent experimental model for translation to many aspects of human physiology and disease yet there is limited experimental information regarding its proteome. In an effort to overcome this gap in our knowledge, we generated a comprehensive spectral library ...
ORGANISM(S): Cavia Porcellus (ncbitaxon:10141) 
2018-12-07 | MSV000083199 | MassIVE
ProteomicsComparison of fractionation proteomics for local SWATH library building
For data-independent acquisition by means of sequential window acquisition of all theoretical fragment ion spectra (SWATH), a reference library of data-dependent acquisition (DDA) runs is typically used to correlate the quantitative data from the fragment ion spectra with peptide identifications. Th...
ORGANISM(S): Homo sapiens (Human) 
2017-07-04 | PXD006190 | Pride
Library building Comparative study Swath-ms Fractionation proteomics Hesc 
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