Database searching for structural identification of metabolites in complex biofluids for mass spectrometry-based metabonomics

Prediction of Kovats Retention Indices of Some Aliphatic Aldehydes and Ketones on Some Stationary Phases at Different Temperatures Using Artificial Neural Network

(2013) E. Konoz et al.   JOURNAL OF CHROMATOGRAPHIC SCIENCE

Matching Structures to Mass Spectra Using Fragmentation Patterns: Are the Results As Good As They Look?

(2009) Emma L. Schymanski et al.   ANALYTICAL CHEMISTRY

Prediction of HPLC Retention Index Using Artificial Neural Networks and IGroup E-State Indices

(2009) Daniel R. Albaugh et al.   Journal of Chemical Information and Modeling

On the inter-instrument and inter-laboratory transferability of a tandem mass spectral reference library: 1. Results of an Austrian multicenter study

(2009) Herbert Oberacher et al.   JOURNAL OF MASS SPECTROMETRY

On the inter-instrument and the inter-laboratory transferability of a tandem mass spectral reference library: 2. Optimization and characterization of the search algorithm

(2009) Herbert Oberacher et al.   JOURNAL OF MASS SPECTROMETRY

CE50: Quantifying collision induced dissociation energy for small molecule characterization and identification

(2009) Tzipporah M. Kertesz et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression

(2009) Arun Sreekumar et al.   NATURE

Rapid detection and characterization of reactive drug metabolitesin vitrousing several isotope-labeled trapping agents and ultra-performance liquid chromatography/time-of-flight mass spectrometry

(2009) Timo Rousu et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

Biomarker Discovery: Validation and Decision-Making in Product Development

(2009) R Sam Niedbala et al.   SEXUALLY TRANSMITTED DISEASES

High-performance liquid chromatography–tandem mass spectrometry in the identification and determination of phase I and phase II drug metabolites

(2008) M. Holčapek et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

Correlative and quantitative 1H NMR-based metabolomics reveals specific metabolic pathway disturbances in diabetic rats

(2008) Shucha Zhang et al.   ANALYTICAL BIOCHEMISTRY

Mass Spectral Metabonomics beyond Elemental Formula: Chemical Database Querying by Matching Experimental with Computational Fragmentation Spectra

(2008) Dennis W. Hill et al.   ANALYTICAL CHEMISTRY

Systems biology: Metabonomics

(2008) Jeremy K. Nicholson et al.   NATURE

Mass defect profiles of biological matrices and the general applicability of mass defect filtering for metabolite detection

(2008) Haiying Zhang et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

Towards a universal product ion mass spectral library – reproducibility of product ion spectra across eleven different mass spectrometers

(2008) Chris Hopley et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

Software for the calculation of isotope patterns in tandem mass spectrometry

(2008) Louis Ramaley et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

Extracting metabolite ions out of a matrix background by combined mass defect, neutral loss and isotope filtration

(2008) Filip Cuyckens et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

An Introduction to Bioinformatics for Glycomics Research

(2008) Kiyoko F. Aoki-Kinoshita   PLoS Computational Biology

Lipidomics: Practical aspects and applications

(2007) Claude Wolf et al.   PROGRESS IN LIPID RESEARCH