METLIN
Encyclopedia
The METLIN Metabolomics Database is a repository of metabolite
information as well as tandem mass spectrometry
data. The information is provided to facilitate metabolomics
experiments.
METLIN is a metabolomics
database containing over 42,000 structures. It serves as a data management system to assist in metabolite research and metabolite identification by providing public access to its repository of comprehensive MS/MS metabolite data. An annotated list of known metabolites and their mass, chemical formula, and structure are available on the METLIN website(http://metlin.scripps.edu). Each metabolite is linked to outside resources such as the Kyoto Encyclopedia of Genes and Genomes (KEGG, http://www.genome.jp/kegg) for further reference and inquiry. Available MS/MS data are expanding continuously as more metabolite information is being deposited and discovered. The METLIN database was developed and is maintained by the Siuzdak laboratory at The Scripps Research Institute
The METLIN metabolite database is implemented using the open-source software tool, MySQL
. The predicted fragment structures have been added to METLIN database using in-silico fragmentation. In addition to enhancements to the data structure, METLIN is utilizing a new database server that provides faster results than the previous server. The METLIN database currently contains accurate masses, chemical formulas, and structures. It also has tandem MS data on more than 4,000 distinct metabolites, over 20,000 high-resolution ESI-QTOF MS/MS spectra at four collision energies, and over 100,000 in silico predicted unique fragment structures.
Metabolite
Metabolites are the intermediates and products of metabolism. The term metabolite is usually restricted to small molecules. A primary metabolite is directly involved in normal growth, development, and reproduction. Alcohol is an example of a primary metabolite produced in large-scale by industrial...
information as well as tandem mass spectrometry
Tandem mass spectrometry
Tandem mass spectrometry, also known as MS/MS or MS2, involves multiple steps of mass spectrometry selection, with some form of fragmentation occurring in between the stages.-Tandem MS instruments:...
data. The information is provided to facilitate metabolomics
Metabolomics
Metabolomics is the scientific study of chemical processes involving metabolites. Specifically, metabolomics is the "systematic study of the unique chemical fingerprints that specific cellular processes leave behind", the study of their small-molecule metabolite profiles...
experiments.
METLIN is a metabolomics
Metabolomics
Metabolomics is the scientific study of chemical processes involving metabolites. Specifically, metabolomics is the "systematic study of the unique chemical fingerprints that specific cellular processes leave behind", the study of their small-molecule metabolite profiles...
database containing over 42,000 structures. It serves as a data management system to assist in metabolite research and metabolite identification by providing public access to its repository of comprehensive MS/MS metabolite data. An annotated list of known metabolites and their mass, chemical formula, and structure are available on the METLIN website(http://metlin.scripps.edu). Each metabolite is linked to outside resources such as the Kyoto Encyclopedia of Genes and Genomes (KEGG, http://www.genome.jp/kegg) for further reference and inquiry. Available MS/MS data are expanding continuously as more metabolite information is being deposited and discovered. The METLIN database was developed and is maintained by the Siuzdak laboratory at The Scripps Research Institute
The Scripps Research Institute
The Scripps Research Institute is an American medical research facility that focuses on research in the basic biomedical sciences. Headquartered in La Jolla, California, with a sister facility in Jupiter, Florida, the institute is home to 3,000 scientists, technicians, graduate students, and...
Introduction
Since its initial implementation in 2005, the METLIN site has collected comments and suggestions from users in the biotechnology, pharmaceutical and academic communities ultimately resulting in a dynamic, intuitive, and functionally useful metabolomics tool. The improved interface allows researchers to readily search the database and characterize metabolites through features such as accurate mass, single and multiple fragment searching, neutral loss and full spectrum search capabilities. These features are designed to facilitate the value of their metabolomics MS and MS/MS data and expedite the identification process.The METLIN metabolite database is implemented using the open-source software tool, MySQL
MySQL
MySQL officially, but also commonly "My Sequel") is a relational database management system that runs as a server providing multi-user access to a number of databases. It is named after developer Michael Widenius' daughter, My...
. The predicted fragment structures have been added to METLIN database using in-silico fragmentation. In addition to enhancements to the data structure, METLIN is utilizing a new database server that provides faster results than the previous server. The METLIN database currently contains accurate masses, chemical formulas, and structures. It also has tandem MS data on more than 4,000 distinct metabolites, over 20,000 high-resolution ESI-QTOF MS/MS spectra at four collision energies, and over 100,000 in silico predicted unique fragment structures.