Nearline acquisition and processing of liquid chromatography-tandem mass spectrometry data

CAMERA: An Integrated Strategy for Compound Spectra Extraction and Annotation of Liquid Chromatography/Mass Spectrometry Data Sets

(2011) Carsten Kuhl et al.   ANALYTICAL CHEMISTRY

Automated workflows for accurate mass-based putative metabolite identification in LC/MS-derived metabolomic datasets

(2011) M. Brown et al.   BIOINFORMATICS

Metabolite profiles and the risk of developing diabetes

(2011) Thomas J Wang et al.   NATURE MEDICINE

ISA software suite: supporting standards-compliant experimental annotation and enabling curation at the community level

(2010) P. Rocca-Serra et al.   BIOINFORMATICS

In silico fragmentation for computer assisted identification of metabolite mass spectra

(2010) Sebastian Wolf et al.   BMC BIOINFORMATICS

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

(2010) Tomáš Pluskal et al.   BMC BIOINFORMATICS

MassBank: a public repository for sharing mass spectral data for life sciences

(2010) Hisayuki Horai et al.   JOURNAL OF MASS SPECTROMETRY

Mass spectrometry tools and metabolite-specific databases for molecular identification in metabolomics

(2009) M. Brown et al.   ANALYST

Metabolite signal identification in accurate mass metabolomics data with MZedDB, an interactive m/z annotation tool utilising predicted ionisation behaviour 'rules'

(2009) John Draper et al.   BMC BIOINFORMATICS

Post Analysis Data Acquisition for the Iterative MS/MS Sampling of Proteomics Mixtures

(2009) Michael R. Hoopmann et al.   JOURNAL OF PROTEOME RESEARCH

The Multifunctional Enzyme CYP71B15 (PHYTOALEXIN DEFICIENT3) Converts Cysteine-Indole-3-Acetonitrile to Camalexin in the Indole-3-Acetonitrile Metabolic Network of Arabidopsis thaliana

(2009) C. Bottcher et al.   PLANT CELL

A Chloroplastic UDP-Glucose Pyrophosphorylase from Arabidopsis Is the Committed Enzyme for the First Step of Sulfolipid Biosynthesis

(2009) Y. Okazaki et al.   PLANT CELL

Metabolomics Reveals Metabolic Biomarkers of Crohn's Disease

(2009) Janet Jansson et al.   PLoS One

SIRIUS: decomposing isotope patterns for metabolite identification†

(2008) Sebastian Böcker et al.   BIOINFORMATICS

Highly sensitive feature detection for high resolution LC/MS

(2008) Ralf Tautenhahn et al.   BMC BIOINFORMATICS

Metabolome Analysis of Biosynthetic Mutants Reveals a Diversity of Metabolic Changes and Allows Identification of a Large Number of New Compounds in Arabidopsis

(2008) C. Bottcher et al.   PLANT PHYSIOLOGY