METLIN: a metabolite mass spectral database

CA Smith, G O'Maille, EJ Want, C Qin… - Therapeutic drug …, 2005 - journals.lww.com
CA Smith, G O'Maille, EJ Want, C Qin, SA Trauger, TR Brandon, DE Custodio, R Abagyan
Therapeutic drug monitoring, 2005journals.lww.com
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 …
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.
Lippincott Williams & Wilkins