|Meitei, N.S., Apte, A., Barsch, A. Automating LC-MS and MS/MS based Large Metabolomic Data Processing and Analysis using SimMet®. Metabolomics 2015, Burlingame, San Francisco, CA||View Poster/Abstract|
|Meitei, N.S., Sreenidhi, A.K., Apte, A., & Ubhi, B.K. LC-MS and MS/MS based Large Metabolomic Data Processing and Analysis using SimMet®. 63rd ASMS Conference on Mass Spectrometry & Allied Topics (2015), St. Louis.||View Poster/Abstract|
|Meitei, N.S., Apte, A., & Barsch, A. SimMet®: Informatics Tool for LC-MS and MS/MS based Large Metabolomic Data Processing and Analysis. Metabomeeting 2014 Conference (2014), London.||View Poster/Abstract|
The SimMet database includes 68,459 metabolite species from various biological sources such as Humans, E.coli. and supports 2,34,284 MS/MS spectra with 354 adducts for 9,390 metabolites from NIST MS/MS databases. Additional biological information such as metabolite common name, systematic name, mass, composition and links to the other databases are also made available for easy reference.
SimMet® offers accurate identification of metabolites by matching observed MS/MS spectra against standard MS/MS spectra of metabolites.
SimMet® accepts experimental mass spectrometry data in standard file formats such as .txt, .xls, .mzData and .mzXML. It can read Thermo Scientific (*.raw) and SCIEX (*.wiff) and Bruker Corporation's (.baf, .yep and .fid) native data files. The program is capable of importing data from complete chromatographic runs i.e up to 200,000 scans.