METLIN is a metabolite database for metabolomics containing over 50,000 structures, it also represents a data management system designed to assist in a broad array of metabolite research and metabolite identification by providing public access to its repository of current and comprehensive MS/MS metabolite data. An annotated list of known metabolites and their mass, chemical formula, and structure are available on the METLIN website. Each metabolite is conveniently linked to outside resources such as the the Kyoto Encyclopedia of Genes and Genomes (KEGG) for further reference and inquiry. MS/MS data is also available on many of the metabolites. The list is expanding continuously as more metabolite information is being deposited and discovered.

      MS/MS Data was obtained on a 6510 Q-TOF(Agilent Technologies) operated in positive (ESI+) and negative (ESI-) electrospray ionization mode using four different collision energies (0, 10, 20 and 40V).

News/Updates

04/26/2012   METLIN's Spectrum Search SOAP API is available here

03/26/2012   METLIN SOAP API is available here

01/23/2012   2012 MSACL Poster Handout is available here

11/24/2011   New MS/MS Spectrum Match is available here

07/18/2011   Updated Privacy & Terms of Use is available here

05/31/2011   Added Google / PubMed / ISI Web of Knowledge Searches of the compound here (click 'name' field)

04/21/2011   METLIN now offers more adduct selections from simple/batch searches here

04/21/2011   METLIN now offers m/z calculator. check an example here (click 'm/z calculator' button next to mass)

03/01/2011   2011 MSACL Poster Handout is available here

12/21/2010   metaXCMS software is available (Paper, Download)

12/15/2010   Neutral Loss Search is available here

12/14/2010   New version of METLIN is available

06/01/2010   2010 ASMS Poster Handout is available here