LC-MSMS software for small molecule identification with confidence
SmileMS software is designed to identify analyses from mass spectrometry (MS) spectra of fragmented molecules via a spectral library search approach. It can be used both for targeted and untargeted screening methods.
LC-MSMS is a recognized powerful analytical technique used to screen and identify a wide range of chemical compounds. It is used routinely in many laboratories in fields such as Laboratory Medicine, Forensic Toxicology, Doping Control, Food Testing, and Metabolomics research. SmileMS proposes a unique LC-MSMS library search solution. It is designed to identify analytes from MS spectra of fragmented molecules via a spectral library search approach. It can be used both for targeted and untargeted screening methods.
SmileMS is a unique software tool for rapid screening of large sets of molecules by LC-MS/MS. It provides a robust, reliable, easy-to-use and MS vendor-independent solution.
multi-target screening analysis in human plasma using fast liquid chromatography-hybrid tandem mass spectrometry
(Part I and II)
Clinical Biochemistry, 2010 Aug 10; Viette V, Guillarme D, Mylonas R, Mauron Y, Fathi M, Rudaz S, Hochstrasser D, Veuthey JL
Department of Genetics and Laboratory Medicine, Service of Laboratory Medicine, Toxicology Laboratory, Geneva University Hospital, Geneva 14, Switzerland; Swiss Institute of Bioinformatics (SIB), Geneva, Switzerland; ADMed Laboratoires, La Chaux-de-Fonds, Switzerland; Swiss Center of Applied Human Toxicology, University of Geneva, Geneva, Switzerland DOI:10.1016/j.clinbiochem.2010.07.021
X-Rank: A robust algorithm for small molecule identification
using tandem mass spectrometry
Analytical Chem. 2009 Sep 15;81(18):7604-10 Roman Mylonas, Yann Mauron, Alexandre Masselot, Pierre-Alain Binz, Nicolas Budin, Marc Fathi, Véronique Viette, Denis F Hochstrasser and Frederique Lisacek
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