MassCascade: Visual Programming for LC-MS Data Processing in Metabolomics

Automated Pipeline for De Novo Metabolite Identification Using Mass-Spectrometry-Based Metabolomics

(2013) Julio E. Peironcely et al.   ANALYTICAL CHEMISTRY

KNIME-CDK: Workflow-driven cheminformatics

(2013) Stephan Beisken et al.   BMC BIOINFORMATICS

XCMS Online: A Web-Based Platform to Process Untargeted Metabolomic Data

(2012) Ralf Tautenhahn et al.   ANALYTICAL CHEMISTRY

MetaboLights: towards a new COSMOS of metabolomics data management

(2012) Christoph Steinbeck et al.   Metabolomics

Liquid Chromatography–High Resolution Mass Spectrometry Analysis of Fatty Acid Metabolism

(2011) Jurre J. Kamphorst et al.   ANALYTICAL CHEMISTRY

Metab: an R package for high-throughput analysis of metabolomics data generated by GC-MS

(2011) R. Aggio et al.   BIOINFORMATICS

Knime4Bio: a set of custom nodes for the interpretation of next-generation sequencing data with KNIME

(2011) P. Lindenbaum et al.   BIOINFORMATICS

Drug Metabolite Profiling and Identification by High-resolution Mass Spectrometry

(2011) Mingshe Zhu et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

MSClust: a tool for unsupervised mass spectra extraction of chromatography-mass spectrometry ion-wise aligned data

(2011) Y. M. Tikunov et al.   Metabolomics

Separating the wheat from the chaff: a prioritisation pipeline for the analysis of metabolomics datasets

(2011) Andris Jankevics et al.   Metabolomics

Plant lipidomics based on hydrophilic interaction chromatography coupled to ion trap time-of-flight mass spectrometry

(2011) Yozo Okazaki et al.   Metabolomics

Bioinformatics tools for cancer metabolomics

(2011) Grigoriy Blekherman et al.   Metabolomics

Environmental Mass Spectrometry: Emerging Contaminants and Current Issues

(2010) Susan D. Richardson   ANALYTICAL CHEMISTRY

MZmine 2: Modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data

(2010) Tomáš Pluskal et al.   BMC BIOINFORMATICS

Ultra-fast searching assists in evaluating sub-ppm mass accuracy enhancement in U-HPLC/Orbitrap MS data

(2010) Arjen Lommen et al.   Metabolomics

MetAlign: Interface-Driven, Versatile Metabolomics Tool for Hyphenated Full-Scan Mass Spectrometry Data Preprocessing

(2009) Arjen Lommen   ANALYTICAL CHEMISTRY

ProteoWizard: open source software for rapid proteomics tools development

(2008) Darren Kessner et al.   BIOINFORMATICS

Mass spectrometry in systems biology: An overview

(2008) Xiaojun Feng et al.   MASS SPECTROMETRY REVIEWS

mzML: A single, unifying data format for mass spectrometer output

(2008) Eric Deutsch   PROTEOMICS