MassMetaSite is an established approach for the automatic identification of metabolites for small molecule and peptides, reducing manual analysis from several hours to only a few minutes per compound.
MassChemSite is a software dedicated to the structure elucidation of organic molecules produced in chemical reactions based on High Resolution Mass Spectroscopy (HRMS).
Compound library is a web application that is connected to a database of chemical structures. The information for this database can come from an external sdf file and/or the experiments processed in Web-Quant molecule or WebMetabase within Oniro.
MetaSite is a computational procedure that predicts metabolic transformations related to cytochrome and flavin-containing monooxygenase mediated reactions in phase I metabolism.
WebMetabase is an application to archive, process, report and explore Metabolite Identification (Met ID) data from different experimental sources. Running on a internal server that should be reachable by anyone in the organization through the Intranet.
WebChembase is an application to archive, process, report and explore Product Identification (Prod ID) data from different experimental sources. Accessible to the user by a web browser.
WebQuant is a module within Oniro platform designed to be used in typical workflows in the ADME and PK labs, where the result obtained is a quantification.
LipostarMSI is a software for mass spectrometry imaging (MSI) that supports both untargeted and targeted data analysis, distributed as desktop application.