Evaluation software for HPLC-MS data of vegetable oils and their hydrolysates.

0542366 - ÚCHP 2022 RIV CZ eng L4 - Software
Pleskač, Ondřej (ed.) - Sovová, Helena - Sajfrtová, Marie
Evaluation software for HPLC-MS data of vegetable oils and their hydrolysates.
Internal code: kapalinové-hmotnostní spektroskopie ; 2021
Technical parameters: Software slouží pracovníkům Ústavu chemických procesů k vyhodnocování výsledků kapalinové-hmotnostní spektroskopie. K získání licence je třeba souhlas Ústavu Chemických Procesů. Kontaktní osobou pro žádost o licenci je Ondřej Pleskač na emailové adrese pleskacondrej@gmail.com.
Economic parameters: Využití primárně pro vědecké účely.
R&D Projects: GA ČR(CZ) GA19-19245S
Institutional support: RVO:67985858
Keywords : HPLC-MS * vegetable oil hydrolysate * machine learning * automation
OECD category: Analytical chemistry
https://gitlab.com/opls/oil-analysis-icpf-cas.git

This software provides algorithms and a graphical user interface for the evaluation of HPLC-MS data of vegetable oils and their hydrolysates. It reads standard proteomic file types .mzML and .mzXML. The evaluation is composed of several algorithms, including the implementation of machine learning principles. The evaluation is fully automated and provides complex results on sample composition exported into .xlsx files. The application enables users to browse, compare and edit chromatograms and mass spectra and export them into image files.
Permanent Link: http://hdl.handle.net/11104/0327595