Cross-platform comparison of methods for quantitative metabolomics of primary metabolism

JM Büscher, D Czernik, JC Ewald, U Sauer… - Analytical …, 2009 - ACS Publications
Quantitative metabolomics is under intense development, and no commonly accepted
standard analytical technique has emerged, yet. The employed analytical methods were …

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 …

Globally optimized targeted mass spectrometry: reliable metabolomics analysis with broad coverage

H Gu, P Zhang, J Zhu, D Raftery - Analytical chemistry, 2015 - ACS Publications
Targeted detection is one of the most important methods in mass spectrometry (MS)-based
metabolomics; however, its major limitation is the reduced metabolome coverage that results …

Understanding metabolomics in biomedical research

SJ Kim, SH Kim, JH Kim, S Hwang… - Endocrinology and …, 2016 - synapse.koreamed.org
The term" omics" refers to any type of specific study that provides collective information on a
biological system. Representative omics includes genomics, proteomics, and metabolomics …

Targeted metabolomics

LD Roberts, AL Souza, RE Gerszten… - Current protocols in …, 2012 - Wiley Online Library
The metabolome is the terminal downstream product of the genome and consists of the total
complement of all the low‐molecular‐weight molecules (metabolites) in a cell, tissue, or …

A large-scale analysis of targeted metabolomics data from heterogeneous biological samples provides insights into metabolite dynamics

HJ Lee, DM Kremer, P Sajjakulnukit, L Zhang… - Metabolomics, 2019 - Springer
Introduction We previously developed a tandem mass spectrometry-based label-free
targeted metabolomics analysis framework coupled to two distinct chromatographic …

Navigating freely-available software tools for metabolomics analysis

R Spicer, RM Salek, P Moreno, D Cañueto… - Metabolomics, 2017 - Springer
Introduction The field of metabolomics has expanded greatly over the past two decades,
both as an experimental science with applications in many areas, as well as in regards to …

LargeMetabo: an out-of-the-box tool for processing and analyzing large-scale metabolomic data

Q Yang, B Li, P Wang, J Xie, Y Feng… - Briefings in …, 2022 - academic.oup.com
Large-scale metabolomics is a powerful technique that has attracted widespread attention in
biomedical studies focused on identifying biomarkers and interpreting the mechanisms of …

[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 …

Good practices and recommendations for using and benchmarking computational metabolomics metabolite annotation tools

NF de Jonge, K Mildau, D Meijer, JJR Louwen… - Metabolomics, 2022 - Springer
Background Untargeted metabolomics approaches based on mass spectrometry obtain
comprehensive profiles of complex biological samples. However, on average only 10% of …