SmileMS - Small Molecule Identification Software for Tandem Mass Spectrometry

Need more extensive and robust search algorithms designed for processing your LS/MS/MS datasets? SmileMS povides is the answer.

SmileMS (Small Molecule Identification and Library Exploration using LC-MS/MS) provides unique software for rapid screening of large sets of molecules. It provides a robust, reliable, easy-to-use and MS vendor-independent solution.

LC-MS/MS combined with spectral library searching is a powerful method for targeted and unknown screening of small molecules in Clinical and Forensic Toxicology, Doping Control, Food Testing, Metabolomics research and other application fields.

Intuitive

Easy submission and one-click reporting
Dynamic result evaluation
Workflows to suit users' level of expertise
Integrated user interface
Extended features for result and system management

Reliable

Identified molecules ranked by level of confidence
Powerful library search capabilities
High discrimination power
Take advantage of high mass accuracy
RT and m/z post-processing filters

Versatile

MS-instrument independent
Increased identification results with multi-library capability
Wide range of application fields
Flexible access with stand-alone or network mode

Video

Documentation

Trial Version

Contact us to register for a free 21 day trial of SmileMS. SmileMS comes with a small sample database and example search result set.

Comments

"We are pleased with the results. SmileMS shows good performances for targeted and untargeted identification. We are therefore able to use SmileMS for library-based LC-MS screening.” -- Prof Dr. Dr. h.c. H. Maurer, Department of Experimental and Clinical Toxicology, Saarland University, Germany
"There was a strong need for a more robust approach to small molecule identification at toxic and therapeutic levels and with the algorithm developed by GeneBio we have now successfully implemented an efficient solution for routine analysis using LC-MS-MS. Thanks to SmileMS, medical doctors can provide patients with diagnosis or therapy quickly and with high confidence." -- Professor Denis Hochstrasser, Head of the Department of Genetic and Laboratory Medicine, Geneva University Hospitals, Switzerland
"The great advantage over vendor-specific solutions is that you can use one piece of software for data interpretation which can handle experimental spectra from different instruments and libraries from different sources including our own library, as well as generate a report in a single format." -- Dr. Marc Fathi, Toxicology Laboratory, Geneva University Hospitals, Switzerland
"SmileMS performs admirably in our study in conjunction with the AB SCIEX mass spectrometer. Further fine-tuning of SmileMS in relation to our research and our routine analysis will positively benefit users in the domain of forensic toxicology; we look forward to working with GeneBio on this large scale project going forward." More ... -- Dr. Marc Augsburger, Operational Manager, Forensic Toxicology Center, Centre Universitaire roman de Médicine Légale (CURML-UTCF), Switzerland
“SmileMS is perfect for screening the data generated on the XLC-QqTOF system. With its sophisticated and intelligent data analysis and management, the software generates a comprehensive report of the compounds which it has identified.” -- Dr. T. Grobosch, Institute of Toxicology, Clinical Toxicology and Poison Information Centre Berlin, BBGes, Germany

Publications

[link] Drugs of abuse screening in urine as part of a metabolite-based LC-MS screening concept. Analytical and Bioanalytical Chemistry, Received: 4 March 2011 / Revised: 11 April 2011 / Accepted: 15 April 2011 . Dirk K. Wissenbach, Markus R. Meyer, Daniela Remane, Anika A. Philipp, Armin A. Weber and Hans H. Maurer
[link] Development of the first metabolite-based LC-MSn urine drug screening procedure-exemplified for antidepressants. Analytical and Bioanalytical Chemistry, Received: 15 September 2010 / Revised: 21 October 2010 / Accepted: 26 October 2010 Dirk K. Wissenbach, Markus R. Meyer, Daniela Remane, Armin A. Weber and Hans H. Maurer
[link] A multi-target screening analysis in human plasma using fast liquid chromatography hybrid tandem mass spectrometry (Part I) Clinical Biochemistry, 2010 Aug 10; Article in Press Viette V, Guillarme D, Mylonas R, Mauron Y, Fathi M, Rudaz S, Hochstrasser D, Veuthey JL.
[link] A multi-target screening analysis in human plasma using fast liquid chromatography-hybrid tandem mass spectrometry (Part II) Clinical Biochemistry, 2010 Aug 10; Article in Press. Viette V, Guillarme D, Mylonas R, Mauron Y, Fathi M, Rudaz S, Hochstrasser D, Veuthey JL.
[link] 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

System Requirements

SmileMS is a client server application. Prerequisites for a SmileMS server are these: Intel dual core CPU 4GB RAM, 1.5GB disk space for installation. For optimum use of SmileMS allow at least 300GB Windows XP (SP2 or SP3), Windows Vista, Windows 7 (32 bits version), Adobe Acrobat Reader The SmileMS graphical user Interface is web-based therefore is accessed using a web browser. Supported web browsers are:

Firefox 3.5.0 and later, with Flash Player version 10 installed Internet Explorer 7 and later, with Flash Player version 10 installed SmileMS is best displayed with a screen resolution of 1280x1024. Note: Your web browser will ask you to install Flash Player when opening SmileMS for the first time unless Flash Player is already installed.

Part No.	Description	UOM	est wt.	Quantity In Stock	Price
9781118083284	Smile MS	EA	0	0^{[*L7]Lead time for this out-of-stock item is approximately 7 days.}	$4995.00
[*L7] Lead time for this out-of-stock item is approximately 7 days.
Ordering information. International (non-US) prices available through your local dealer.

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