Untargeted metabolomics strategies—challenges and emerging directions

AC Schrimpe-Rutledge, SG Codreanu… - Journal of the …, 2016 - ACS Publications
Metabolites are building blocks of cellular function. These species are involved in enzyme-
catalyzed chemical reactions and are essential for cellular function. Upstream biological …

[HTML][HTML] TargetSearch-a Bioconductor package for the efficient preprocessing of GC-MS metabolite profiling data

A Cuadros-Inostroza, C Caldana, H Redestig… - BMC …, 2009 - Springer
Background Metabolite profiling, the simultaneous quantification of multiple metabolites in
an experiment, is becoming increasingly popular, particularly with the rise of systems-level …

Challenges in mass spectrometry based targeted metabolomics

T Koal, HP Deigner - Current molecular medicine, 2010 - ingentaconnect.com
The gap of the post-genomic era is increasingly being filled by the metabolomics approach,
comprising a technology for analyzing small molecule endogenous metabolites (≤ 1500 …

Development and performance of a gas chromatography− time-of-flight mass spectrometry analysis for large-scale nontargeted metabolomic studies of human serum

P Begley, S Francis-McIntyre, WB Dunn… - Analytical …, 2009 - ACS Publications
A method for the preparation and GC− TOF-MS analysis of human serum samples has been
developed and evaluated for application in long-term metabolomic studies. Serum samples …

A software complement to AMDIS for processing GC-MS metabolomic data

V Behrends, GD Tredwell, JG Bundy - Analytical biochemistry, 2011 - Elsevier
The software package AMDIS performs gas chromatography–mass spectrometry (GC–MS)
peak deconvolution but tends to produce false positives and leaves missing values where …

Overview of mass spectrometry-based metabolomics: opportunities and challenges

GAN Gowda, D Djukovic - Mass Spectrometry in Metabolomics: Methods …, 2014 - Springer
The field of metabolomics has witnessed an exponential growth in the last decade driven by
important applications spanning a wide range of areas in the basic and life sciences and …

GMD@ CSB. DB: the Golm metabolome database

J Kopka, N Schauer, S Krueger, C Birkemeyer… - …, 2005 - academic.oup.com
Metabolomics, in particular gas chromatography–mass spectrometry (GC–MS) based
metabolite profiling of biological extracts, is rapidly becoming one of the cornerstones of …

Galaxy-M: A Galaxy workflow for processing and analyzing direct infusion and liquid chromatography mass spectrometry-based metabolomics data

RL Davidson, RJM Weber, H Liu, A Sharma-Oates… - …, 2016 - academic.oup.com
Background: Metabolomics is increasingly recognized as an invaluable tool in the
biological, medical and environmental sciences yet lags behind the methodological maturity …

Mass spectrometry‐based metabolomics

K Dettmer, PA Aronov… - Mass spectrometry …, 2007 - Wiley Online Library
This review presents an overview of the dynamically developing field of mass spectrometry‐
based metabolomics. Metabolomics aims at the comprehensive and quantitative analysis of …

[HTML][HTML] Advances in mass spectrometry-based metabolomics for investigation of metabolites

JL Ren, AH Zhang, L Kong, XJ Wang - RSC advances, 2018 - pubs.rsc.org
Metabolomics is the systematic study of all the metabolites present within a biological
system, which consists of a mass of molecules, having a variety of physical and chemical …