METLIN
Top Cited Papers
- 1 December 2005
- journal article
- research article
- Published by Wolters Kluwer Health in Therapeutic Drug Monitoring
- Vol. 27 (6) , 747-751
- https://doi.org/10.1097/01.ftd.0000179845.53213.39
Abstract
Endogenous metabolites have gained increasing interest over the past 5 years largely for their implications in diagnostic and pharmaceutical biomarker discovery. METLIN ( http://metlin.scripps.edu ), a freely accessible web-based data repository, has been developed to assist in a broad array of metabolite research and to facilitate metabolite identification through mass analysis. METLIN includes an annotated list of known metabolite structural information that is easily cross-correlated with its catalogue of high-resolution Fourier transform mass spectrometry (FTMS) spectra, tandem mass spectrometry (MS/MS) spectra, and LC/MS data.Keywords
This publication has 23 references indexed in Scilit:
- Computational Lipidomics: A Multiplexed Analysis of Dynamic Changes in Membrane Lipid Composition during Signal TransductionMolecular Pharmacology, 2004
- Integration of Knowledge-Based Metabolic Predictions with Liquid Chromatography Data-Dependent Tandem Mass Spectrometry for Drug Metabolism Studies: Application to Studies on the Biotransformation of IndinavirAnalytical Chemistry, 2003
- A Universal Denoising and Peak Picking Algorithm for LC−MS Based on Matched Filtration in the Chromatographic Time DomainAnalytical Chemistry, 2003
- Toxicity classification from metabonomic data using a density superposition approach: ‘CLOUDS’Analytica Chimica Acta, 2003
- Construction and application of a mass spectral and retention time index database generated from plant GC/EI-TOF-MS metabolite profilesPhytochemistry, 2003
- NMR-based metabonomic toxicity classification: hierarchical cluster analysis and k-nearest-neighbour approachesAnalytica Chimica Acta, 2003
- New algorithms for processing and peak detection in liquid chromatography/mass spectrometry dataRapid Communications in Mass Spectrometry, 2002
- Emerging bioinformatics for the metabolomeBriefings in Bioinformatics, 2002
- Profiling degradants of paclitaxel using liquid chromatography–mass spectrometry and liquid chromatography–tandem mass spectrometry substructural techniquesJournal of Chromatography B: Biomedical Sciences and Applications, 1997
- Biomedical and biochemical applications of liquid chromatography-mass spectrometryJournal of Chromatography A, 1995