Assessment of variation of inline cartridge extraction mass spectra

In this study, we demonstrate a simple way to compare mass spectra obtained by different experimental protocols, assess its quality, and check for the presence of outliers and batch effect in the dataset. We compare the mass spectra of both fresh and frozen‐thawed astrocytic brain tumor samples obtained with the inline cartridge extraction prior to electrospray ionization. Our results reveal the importance of both positive and negative ion mode mass spectrometry for getting reliable information about sample diversity. We show that positive mode highlights the difference between protocols of mass sp ectra measurement, such as fresh and frozen‐thawed samples, whereas negative mode better characterizes the histological difference between samples. We also show how the use of similarity spectrum matrix helps to identify the proper choice of the measurement parameters, so data collection would be kept reliable, and analysis would be correct and meaningful.

Source: Journal of Mass Spectrometry - August 4, 2020 Category: Chemistry Authors: E.S. Zhvansky, V.A. Eliferov, A.A. Sorokin, V.A. Shurkhay, S.I. Pekov, D.S. Bormotov, D.G. Ivanov, D.S. Zavorotnyuk, K.V. Bocharov, I.G. Khaliullin, M.S. Belenikin, A.A. Potapov, E.N. Nikolaev, I.A. Popov Tags: SPECIAL ISSUE ‐ RESEARCH ARTICLE Source Type: research