Precursor mass prediction by clustering ionization products in LC-MS-based metabolomics

Combined in silico modeling and metabolomics analysis to characterize fed-batch CHO cell culture

(2012) Suresh Selvarasu et al.   BIOTECHNOLOGY AND BIOENGINEERING

Toward Global Metabolomics Analysis with Hydrophilic Interaction Liquid Chromatography–Mass Spectrometry: Improved Metabolite Identification by Retention Time Prediction

(2011) Darren J. Creek 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

Ultra-performance liquid chromatography coupled to mass spectrometry as a sensitive and powerful technology for metabolomic studies

(2011) Xijun Wang et al.   JOURNAL OF SEPARATION SCIENCE

Liquid chromatography–mass spectrometry-based metabolomics for authenticity assessment of fruit juices

(2011) Lukas Vaclavik et al.   Metabolomics

Procedures for large-scale metabolic profiling of serum and plasma using gas chromatography and liquid chromatography coupled to mass spectrometry

(2011) Warwick B Dunn et al.   Nature Protocols

MMMDB: Mouse Multiple Tissue Metabolome Database

(2011) Masahiro Sugimoto et al.   NUCLEIC ACIDS RESEARCH

Database resources of the National Center for Biotechnology Information

(2011) E. W. Sayers et al.   NUCLEIC ACIDS RESEARCH

KEGG for integration and interpretation of large-scale molecular data sets

(2011) M. Kanehisa et al.   NUCLEIC ACIDS RESEARCH

Fourier transform mass spectrometry for metabolome analysis

(2010) C. Junot et al.   ANALYST

Applications of liquid chromatography coupled to mass spectrometry-based metabolomics in clinical chemistry and toxicology: A review

(2010) Aurélie Roux et al.   CLINICAL BIOCHEMISTRY

Metabolomics in systems microbiology

(2010) Marshall Louis Reaves et al.   CURRENT OPINION IN BIOTECHNOLOGY

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

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

Global metabolic profiling procedures for urine using UPLC–MS

(2010) Elizabeth J Want et al.   Nature Protocols

Enhanced metabolite identification with MSE and a semi-automated software for structural elucidation

(2010) Britta Bonn et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

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

(2009) M. Brown et al.   ANALYST

Metabolomics for Functional Genomics, Systems Biology, and Biotechnology

(2009) Kazuki Saito et al.   Annual Review of Plant Biology

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

Mass-spectrometry-based metabolomics: limitations and recommendations for future progress with particular focus on nutrition research

(2009) Augustin Scalbert et al.   Metabolomics

A metabonomic study of hepatitis B-induced liver cirrhosis and hepatocellular carcinoma by using RP-LC and HILIC coupled with mass spectrometry

(2009) Peiyuan Yin et al.   Molecular BioSystems

Metabolic profiling of the fission yeast S. pombe: quantification of compounds under different temperatures and genetic perturbation

(2009) Tomáš Pluskal et al.   Molecular BioSystems

Metabolomics Reveals Metabolic Biomarkers of Crohn's Disease

(2009) Janet Jansson et al.   PLoS One

Metabolomics profiling of extracellular metabolites in recombinant Chinese Hamster Ovary fed-batch culture

(2009) William P. K. Chong et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

Simple data-reduction method for high-resolution LC–MS data in metabolomics

(2009) RA Scheltema et al.   Bioanalysis

Mass Spectrometry-Based Metabolomics: Accelerating the Characterization of Discriminating Signals by Combining Statistical Correlations and Ultrahigh Resolution

(2008) Erwan Werner et al.   ANALYTICAL CHEMISTRY

XCMS2: Processing Tandem Mass Spectrometry Data for Metabolite Identification and Structural Characterization

(2008) H. P. Benton et al.   ANALYTICAL CHEMISTRY

Practical Approach for the Identification and Isomer Elucidation of Biomarkers Detected in a Metabonomic Study for the Discovery of Individuals at Risk for Diabetes by Integrating the Chromatographic and Mass Spectrometric Information

(2008) Jing Chen et al.   ANALYTICAL CHEMISTRY

Probabilistic assignment of formulas to mass peaks in metabolomics experiments

(2008) Simon Rogers et al.   BIOINFORMATICS

Analytical strategies for LC–MS-based targeted metabolomics

(2008) Wenyun Lu et al.   JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES

Metabolite identification via the Madison Metabolomics Consortium Database

(2008) Qiu Cui et al.   NATURE BIOTECHNOLOGY

HMDB: a knowledgebase for the human metabolome

(2008) D. S. Wishart et al.   NUCLEIC ACIDS RESEARCH

Metabolite annotations based on the integration of mass spectral information

(2008) Yoko Iijima et al.   PLANT JOURNAL