[HTML][HTML] Automated label-free quantification of metabolites from liquid chromatography–mass spectrometry data
E Kenar, H Franken, S Forcisi, K Wörmann… - Molecular & Cellular …, 2014 - ASBMB
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 …
technology in metabolomics. In particular, label-free quantification based on LC-MS is easily …
Algorithms and tools for the preprocessing of LC–MS metabolomics data
S Castillo, P Gopalacharyulu, L Yetukuri… - … and Intelligent Laboratory …, 2011 - Elsevier
Metabolomics encompasses the study of small molecules in a biological sample. Liquid
Chromatography coupled with Mass Spectrometry (LC–MS) profiling is an important …
Chromatography coupled with Mass Spectrometry (LC–MS) profiling is an important …
[HTML][HTML] Annotation: a computational solution for streamlining metabolomics analysis
X Domingo-Almenara, JR Montenegro-Burke… - Analytical …, 2018 - ncbi.nlm.nih.gov
Metabolite identification is still considered an imposing bottleneck in liquid chromatography
mass spectrometry (LC/MS) untargeted metabolomics. The identification workflow usually …
mass spectrometry (LC/MS) untargeted metabolomics. The identification workflow usually …
MS-CleanR: A feature-filtering workflow for untargeted LC–MS based metabolomics
O Fraisier-Vannier, J Chervin, G Cabanac… - Analytical …, 2020 - ACS Publications
Untargeted metabolomics using liquid chromatography–mass spectrometry (LC–MS) is
currently the gold-standard technique to determine the full chemical diversity in biological …
currently the gold-standard technique to determine the full chemical diversity in biological …
[HTML][HTML] Processing methods for differential analysis of LC/MS profile data
M Katajamaa, M Orešič - BMC bioinformatics, 2005 - Springer
Background Liquid chromatography coupled to mass spectrometry (LC/MS) has been widely
used in proteomics and metabolomics research. In this context, the technology has been …
used in proteomics and metabolomics research. In this context, the technology has been …
Metabolomic analysis and visualization engine for LC− MS data
E Melamud, L Vastag, JD Rabinowitz - Analytical chemistry, 2010 - ACS Publications
Metabolomic analysis by liquid chromatography− high-resolution mass spectrometry results
in data sets with thousands of features arising from metabolites, fragments, isotopes, and …
in data sets with thousands of features arising from metabolites, fragments, isotopes, and …
Recent advances in LC‐MS‐based metabolomics for clinical biomarker discovery
The employment of liquid chromatography‐mass spectrometry (LC‐MS) untargeted and
targeted metabolomics has led to the discovery of novel biomarkers and improved the …
targeted metabolomics has led to the discovery of novel biomarkers and improved the …
Metabolite annotation and identification
Untargeted metabolomics has proven to be an excellent tool in biomarker discovery assays.
It avoids the need for a priori specific hypotheses and measures a large number of signals …
It avoids the need for a priori specific hypotheses and measures a large number of signals …
Enhanced detection and identification in metabolomics by use of LC–MS/MS untargeted analysis in combination with gas-phase fractionation
M Calderon-Santiago, F Priego-Capote… - Analytical …, 2014 - ACS Publications
Liquid chromatography coupled to tandem mass spectrometry is one of the most widely
used analytical platforms for profiling analysis in metabolomics. One weakness of …
used analytical platforms for profiling analysis in metabolomics. One weakness of …
Metabolite identification and quantitation in LC-MS/MS-based metabolomics
Metabolomics aims at detection and quantitation of all metabolites in biological samples.
The presence of metabolites with a wide variety of physicochemical properties and different …
The presence of metabolites with a wide variety of physicochemical properties and different …