Metabolite identification via the madison metabolomics consortium database

Q Cui, IA Lewis, AD Hegeman, ME Anderson, J Li… - Nature …, 2008 - nature.com
High-throughput metabolic profiling, known as metabolomics1 or metabonomics2, has been
an active area of research for over 35 years3. The most commonly employed analytical …

Gas chromatography mass spectrometry–based metabolite profiling in plants

J Lisec, N Schauer, J Kopka, L Willmitzer, AR Fernie - Nature protocols, 2006 - nature.com
The concept of metabolite profiling has been around for decades, but technical innovations
are now enabling it to be carried out on a large scale with respect to the number of both …

MyCompoundID: using an evidence-based metabolome library for metabolite identification

L Li, R Li, J Zhou, A Zuniga, AE Stanislaus… - Analytical …, 2013 - ACS Publications
Identification of unknown metabolites is a major challenge in metabolomics. Without the
identities of the metabolites, the metabolome data generated from a biological sample …

Comparison of GC-MS and GC× GC-MS in the analysis of human serum samples for biomarker discovery

JH Winnike, X Wei, KJ Knagge… - Journal of proteome …, 2015 - ACS Publications
We compared the performance of gas chromatography time-of-flight mass spectrometry (GC-
MS) and comprehensive two-dimensional gas chromatography mass spectrometry (GC× GC …

Current and emerging mass-spectrometry technologies for metabolomics

M Bedair, LW Sumner - TrAC Trends in Analytical Chemistry, 2008 - Elsevier
Mass spectrometry (MS) has secured a central role in metabolomics that is predicted to grow
based upon continuous developments and improvements in MS technologies. This article …

MRMPROBS: a data assessment and metabolite identification tool for large-scale multiple reaction monitoring based widely targeted metabolomics

H Tsugawa, M Arita, M Kanazawa, A Ogiwara… - Analytical …, 2013 - ACS Publications
We developed a new software program, MRMPROBS, for widely targeted metabolomics by
using the large-scale multiple reaction monitoring (MRM) mode. The strategy became …