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A Comprehensive Software Suite for Mass Spectrometry Metabolite Data Analysis that Facilitates LC-MS Data Processing, Metabolite Identification, Quantification and Statistical Analysis

SimMet processes LC-MS data for peak detection, peak picking and retention time alignment. It enables users to identify metabolites using MS and MS/MS data in batch mode. Besides quantitative data analysis of identified metabolites, it facilitates differential analysis of metabolites across biological samples.

Robust Relational Metabolite Database

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.

Support for Multiple File Formats

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.


  • Robust Relational Metabolite Database
  • Support for Multiple File Formats
  • LC-MS and MS/MS Data Processing
  • High Throughput MS and MS/MS Data Analysis
  • Differential Metabolomics for Biological Samples
  • Quantitative Metabolomics
  • Mass Spectra Annotation with Identified Metabolite


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