UPLC-QTOF-MSMS Protocol for Metabolomics

Full scan /automated MSMS in data dependent mode was acquired in both negative and positive modes for all files (100- 1400 m/z) using a UPLC system coupled online with a 6540 UHD Accurate-Mass Q-TOF (Agilent Technologies) following exact conditions described in Saied & Farag (2023) (link) and Sallam et al. (2022) (link). Exact details are described in the Supplemental File. Molecular networks were generated for negative and positive ionization files applying Global Natural Products Social Molecular networking (GNPS, http://gnps.ucsd.edu/ProteoSAFe/status/gnps-splash.jsp) accessed date (14 April 2022). The parameters are mentioned in the Supplemental File.

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Mostafa M.M, & Farag M.A. (2023). Profiling of primary and phytonutrients in edible mahlab cherry (Prunus mahaleb L.) seeds in the context of its different cultivars and roasting as analyzed using molecular networking and chemometric tools. PeerJ, 11, e15908.

Publication 2023

6540 UHD Accurate-Mass Q-TOF

Natural products Scan

Corresponding Organization :

Other organizations : Cairo University

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Variable analysis

independent variables

Ionization mode (negative and positive)

dependent variables

Molecular profiles/features detected by MS/MS

control variables

UPLC system coupled online with a 6540 UHD Accurate-Mass Q-TOF (Agilent Technologies)
Scan range (100-1400 m/z)
Exact experimental conditions described in Saied & Farag (2023) and Sallam et al. (2022)

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