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Liquid chromatography coupled to mass spectrometry (LC-MS) has become a standard technology in metabolomics. In particular, label-free quantification based on LC-MS is easily amenable to large-scale studies and thus well suited to clinical metabolomics. Large-scale studies, however, require autom...

2015-12-16 | MTBLS234 | MetaboLights
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
Untargeted metabolomics aims at obtaining quantitative information on the highest possible number of low-molecular biomolecules present in a biological sample. Rather small changes in mass spectrometric spectrum acquisition parameters may have a significant influence on the detectabilities of metabo...
2016-06-09 | MTBLS233 | MetaboLights

Liquid chromatography coupled to mass spectrometry (LC-MS) has become a standard technology in metabolomics. In particular, label-free quantification based on LC-MS is easily amenable to large-scale studies and thus well suited to clinical metabolomics. Large-scale studies, however, require autom...

2015-12-16 | MTBLS235 | MetaboLights
Enzymatic differential 16O/18O labelling of nucelic acid-protein heteroconjugates. Heteroconjugates are identified against a complex background using an automated analysis workflow.
ORGANISM(S): Bos taurus (Bovine) 
2017-09-11 | PXD003673 | Pride
Reanalysis of a cross-linked ribosomal cellular fraction dataset, that is a subset of a fragmentation parameters optimization dataset (PRIDE project PXD006131). The HCD fragmented part of the dataset was searched with the Cross-Linking MS identification tools OpenPepXL, pLink2, Kojak and XiSearch.
ORGANISM(S): Homo sapiens (Human) 
2020-10-20 | PXD014520 | Pride
Reanalysis of a synthetic crosslinked peptide library dataset. The three replicates of the XL-MS experiment with the non-cleavable cross-linker DSS from the dataset published in Beveridge et al., Nature Commun., 2020 (PRIDE project PXD014337) were searched with the XL-MS identification tool OpenPepX...
ORGANISM(S): Streptococcus pyogenes ABC020006030 
2020-10-20 | PXD021417 | Pride
An X-ray crystallography structure of the trimeric nuclear export complex of CRM1, SNP1 and RanGTP is available on the PDB database with the ID 3GJX. To get an XL-MS dataset of a clean sample of a stable protein complex for benchmarking purposes, another sample from the protein expression, purificat...
ORGANISM(S): Escherichia coli 
2020-10-20 | PXD014359 | Pride
Untargeted metabolomics has the potential to improve the predictivity of in vitro toxicity models and therefore may aid the reduction of expensive and laborious animal models. Here we describe a chronic nephrotoxicity study conducted on a human renal proximal tubular epithelial cell line (RPTEC/TERT...
2015-09-07 | MTBLS140 | MetaboLights
Mass spectrometry data of peptide–RNA cross-links derived from complex biological systems. Yeast (pre-)mRNPs were isolated by TAP tag purification of Cbp20; human protein–RNA complexes were assembled on an aptamer tagged pre-mRNA. Isolated complexes were UV irradiated. For each of the aforementioned...
ORGANISM(S): Homo sapiens (Human) Saccharomyces cerevisiae (Baker's yeast) 
2014-08-07 | PXD000513 | Pride
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