From samples to insights into metabolism: Uncovering biologically relevant information in LC-HRMS metabolomics data
J Ivanisevic, EJ Want - Metabolites, 2019 - mdpi.com
Untargeted metabolomics (including lipidomics) is a holistic approach to biomarker
discovery and mechanistic insights into disease onset and progression, and response to …
discovery and mechanistic insights into disease onset and progression, and response to …
Comparison of peak‐picking workflows for untargeted liquid chromatography/high‐resolution mass spectrometry metabolomics data analysis
RATIONALE Data analysis is a key step in mass spectrometry based untargeted
metabolomics, starting with the generation of generic peak lists from raw liquid …
metabolomics, starting with the generation of generic peak lists from raw liquid …
Integrated, nontargeted ultrahigh performance liquid chromatography/electrospray ionization tandem mass spectrometry platform for the identification and relative …
AM Evans, CD DeHaven, T Barrett, M Mitchell… - Analytical …, 2009 - ACS Publications
To address the challenges associated with metabolomics analyses, such as identification of
chemical structures and elimination of experimental artifacts, we developed a platform that …
chemical structures and elimination of experimental artifacts, we developed a platform that …
High-throughput metabolomics: isocratic and gradient mass spectrometry-based methods
Metabolomics has emerged in the past decade as a highly attractive and impactful
technique for phenotype-level profiling in diverse biological applications. Most recently, the …
technique for phenotype-level profiling in diverse biological applications. Most recently, the …
Expanding coverage of the metabolome for global metabolite profiling
Mass spectrometry-based metabolomics is the comprehensive study of naturally occurring
small molecules collectively known as the metabolome. Given the vast structural diversity …
small molecules collectively known as the metabolome. Given the vast structural diversity …
XCMS Online: a web-based platform to process untargeted metabolomic data
R Tautenhahn, GJ Patti, D Rinehart… - Analytical …, 2012 - ACS Publications
Recently, interest in untargeted metabolomics has become prevalent in the general scientific
community among an increasing number of investigators. The majority of these …
community among an increasing number of investigators. The majority of these …
Challenges and emergent solutions for LC‐MS/MS based untargeted metabolomics in diseases
In the past decade, advances in liquid chromatography‐mass spectrometry (LC‐MS) have
revolutionized untargeted metabolomics analyses. By mining metabolomes more deeply …
revolutionized untargeted metabolomics analyses. By mining metabolomes more deeply …
HILIC‐MS for metabolomics: An attractive and complementary approach to RPLC‐MS
Hydrophilic interaction chromatography (HILIC) is an emerging separation mode of liquid
chromatography (LC). Using highly hydrophilic stationary phases capable of retaining …
chromatography (LC). Using highly hydrophilic stationary phases capable of retaining …
Chemical isotope labeling LC-MS for high coverage and quantitative profiling of the hydroxyl submetabolome in metabolomics
A key step in metabolomics is to perform accurate relative quantification of the metabolomes
in comparative samples with high coverage. Hydroxyl-containing metabolites are an …
in comparative samples with high coverage. Hydroxyl-containing metabolites are an …