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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
MetabolomicsMarine toxins spectral database for dereplication purpose

We present an open access marine toxins spectral database for dereplication purpose using the new tool GNPS MASST.

This interface enables you to search a single MS/MS spectrum against public GNPS spectral libraries including MetaboLights and all public MS/MS datasets.

The database wil...

2020-01-14 | MTBLS599 | MetaboLights
ProteomicsSpectral Library Search for Improved TMTpro Labelled Peptide Assignment in Human Plasma Proteomics
Clinical biomarker discovery is often based on the analysis of human plasma samples. However, the high dynamic range and complexity of plasma pose significant challenges to mass spectrometry-based proteomics. Current methods for improving protein identifications require laborious pre-analytical samp...
ORGANISM(S): Homo sapiens (Human) 
2023-10-24 | PXD042546 | Pride
Peptide identification  plasma proteomics  spectral library search  tmtpro 
ProteomicsComprehensive spectral library from the pathogenic bacterium Streptococcus pneumoniae with focus on phosphoproteins
In this study, a comprehensive spectral library for S. pneumoniae with an emphasis on phosphopeptide spectra was compiled. In total, 76% of the theoretical S. pneumoniae proteins were stored in a spectral library. Additionally, in combination with classical database search algorithms and the spectra...
ORGANISM(S): Streptococcus Pneumoniae D39 
MSV000084269 | MassIVE
ProteomicsSimulated spectral library searching on TripleTOF phosphopeptide datasets
Synthetic phosphopeptides and enriched K562 cell phosphopeptides were analyzed using a TripleTOF 6600 mass spectrometer before and after enzymatic dephosphorylation. Dephosphorylated peptides identified by X!Tandem database searching were subjected to spectral simulation of all possible single phosp...
ORGANISM(S): Homo Sapiens (human) 
2019-12-03 | PXD012433 | JPOST Repository
ProteomicsConstructing a Tandem Mass Spectral Library for Forensic Ricin Identification
Ricin, a protein found in castor seeds, is a lethal toxin that is designated as a category 2 select agent. Because castor seeds are easy to obtain and the toxin can be easily extracted, cases of attempted ricin poisoning are relatively common. A shotgun proteomics method for ricin identification has...
ORGANISM(S): Ricinus communis 
2019-10-02 | PXD013711 | Pride
Forensic proteomics Spectral library Castor Ricin Lc-ms/ms 
ProteomicsFast open modification spectral library searching through approximate nearest neighbor indexing
Open modification searching (OMS) is a powerful search strategy that identifies peptides carrying any type of modification by allowing a modified spectrum to match against its unmodified variant by using a very wide precursor mass window. A drawback of this strategy, however, is that it leads to a l...
ORGANISM(S): Homo sapiens (Human) Saccharomyces cerevisiae (Baker's yeast) 
2021-05-25 | PXD009861 | Pride
Ptm Open modification searching Spectral library 
ProteomicsComprehensive Arabidopsis Proteome Spectral Library
We constructed a comprehensive Arabidopsis Spectral Assay library that is useful for DIA/SWATH-MS quantitative proteome analysis.
ORGANISM(S): Arabidopsis thaliana (Mouse-ear cress) 
2019-11-06 | PXD012708 | Pride
Dia Swath Arabidopsis Spectral library 
ProteomicsArabidopsis proteome spectral library
We constructed a comprehensive Arabidopsis Spectral Assay library that is useful for DIA/SWATH-MS quantitative proteome analysis.
ORGANISM(S): Arabidopsis thaliana (Mouse-ear cress) 
2019-11-06 | PXD012710 | Pride
Dia Tripletof 5600 Swath Arabidopsis Spectral library 
ProteomicsA primary human T-cell spectral library to facilitate large scale quantitative T-cell proteomics
Comprehensive spectral libraries are essential in sequential window acquisition of all theoretical mass spectra (SWATH-MS) based high throughput proteomic studies. Even though SWATH-MS assays provide robust quantitative proteomics data its applications to human T-cell studies are limited by the lack...
ORGANISM(S): Homo sapiens (Human) 
2020-10-19 | PXD019446 | Pride
Human Swath Spectral library Primary t-cells 
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