HighChem
Private | |
Industry | Analytical chemistry, Mass spectrometry, Metabolomics, Life science, Food and Beverage, Environmental protection, Forensic |
Founded | 1998 |
Headquarters | Bratislava, Slovakia |
Area served | Global |
Key people |
Robert Mistrik, CEO and Chief science officer Juraj Lutisan, Chief software architect Milos Suchy, Chief data officer |
Products | Mass Frontier, mzCloud |
Number of employees | 13 |
Website | http://www.highchem.com |
HighChem is a scientific software company based in Bratislava, Slovakia, which focuses on developing mass spectrometry software and cloud solutions for data processing and the identification of compounds. In addition to software and cloud solutions, HighChem builds curated data collections of experimental mass spectra, fragmentation patterns, quantum chemically calculated fragments and organism specific biochemical data. Its products are used by over 2,000 customers in pharmaceutical, biomarker, forensic, environmental protection, food control and related applications. HighChem is affiliated with Thermo Fisher Scientific.
History
In 1998, HighChem released Mass Frontier, a software for interpretation of mass spectra.
In 2003, the company developed Fragmentation Library, a collection of literature-based fragmentation mechanisms.
In 2004, HighChem implemented high-resolution capable Mass Spectrometry Database Technology.
In 2004, Precursor Ion Fingerprinting method was invented.[1]
From 2008 to 2011, HighChem was a partner in the METAcancer consortium,[2] a collaborative project for the identification and validation of a new breast cancer biomarker.[3]
In 2009, HighChem introduced Fragment Ion Search (FISh),[4] a method for metabolite identification from LC-MS data.
In 2011, the company implemented a third generation spectra correlation algorithm into Mass Frontier software.
Since 2012, HighChem has been an associated partner in the Marie Curie Actions FP7 ITN project, EDA-EMERGE.[5]
In 2013, mzCloud [6] went online.
In 2014, HighChem became a full member of NORMAN,[7] a network of reference laboratories, research centers and related organizations for monitoring emerging environmental substances (air pollution, soil pollution, water pollution).
In 2015, HighChem launched a fragment annotation project of more than 2 million ions using quantum-chemical methods.
Products
HighChem Mass Frontier is a software package for the management, evaluation and interpretation of mass spectral and chromatographic data. It provides fragment prediction methods relying on empirical fragmentation rules and a fragmentation library of more than 100,000 individual unimolecular ion decomposition reaction mechanism extracted from peer reviewed literature.[8] | |
mzCloud is a web-based mass spectral database that comprises a curated collection of high and low resolution tandem mass spectra acquired under a number of experimental conditions which address the problem of spectra reproducibility. Spectra are filtered, manually recalibrated and annotated by fragments processed by quantum-chemical methods. Data are freely searchable by spectrum, spectral tree, (sub)structure, fragment, precursor ion, mass-to-charge ratio, monoisotopic mass and chemical name. In addition to the spectral and structural data, mzCloud also includes break-down curves. |
See also
- List of mass spectrometry software
- List of chromatography software
- Metabolomics
- Computational chemistry
- Drug development
- Drug discovery
References
- ↑ Sheldon, Michelle T.; Mistrik, Robert; Croley, Timothy R. (2009). "Determination of ion structures in structurally related compounds using precursor ion fingerprinting". Journal of the American Society for Mass Spectrometry. 20 (3): 370–376. doi:10.1016/j.jasms.2008.10.017. PMID 19041260.
- ↑ "METAcancer, Identification and validation of new breast cancer biomarkers based on integrated metabolomics".
- ↑ "Genetic Engineering & Biotechnology News, Metabolite Profiling Speeds Diagnostic Efforts".
- ↑ "New Fragment Ion Search (FISh) function".
- ↑ "EDA-EMERGE".
- ↑ "mzCloud, a tandem mass spectral database".
- ↑ "NORMAN network".
- ↑ "Press Release - Mass Frontier 7.0".