MsCompare: An Untargeted LC & GC/MS Metabolomics Platform for Quality Control, Precise Deconvolution and Data Analysis

We developed an automated sample preparation protocol based on a robotic platform PAL RTC (CTC Analytics AG, Zwingen Switzerland), which represent a modified Bligh and Dyer method producing samples for both hydrophilic metabolomics using GC-MS and lipidomics using SFC-MS simultaneously.

We show that network analysis of co-localized ions from mass spectrometry imaging data provides a detailed chemo-spatial insight into the metabolic heterogeneity of tumor. Furthermore, module preservation analysis between colorectal cancer patients with and without metastatic recurrence suggests hypotheses on the nature of the different local metabolic pathways.

Concern about the safety of food products has increased dramatically with intentionally and non-intentionally added substances (NIAS) used in packaging being of particular interest. APGC and high resolution MS together with a workflow driven process was used to identify unknown compounds in packaging.