Jump to main content
Jump to site search

Issue 19, 2018
Previous Article Next Article

Mobilising ion mobility mass spectrometry for metabolomics

Author affiliations

Abstract

Chromatography-based mass spectrometry approaches (xC-MS) are commonly used in untargeted metabolomics, providing retention time, m/z values and metabolite-specific fragments, all of which are used to identify and validate an unknown analyte. Ion mobility-mass spectrometry (IM-MS) is emerging as an enhancement to classic xC-MS strategies, by offering additional ion separation as well as collision cross section (CCS) determination. In order to apply such an approach to a metabolomics workflow, verified data from metabolite standards is necessary. In this work we present experimental DTCCSN2 values for a range of metabolites in positive and negative ionisation modes using drift tube-ion mobility-mass spectrometry (DT-IM-MS) with nitrogen as the buffer gas. The value of DTCCSN2 measurements for application in metabolite identification relies on a robust technique that acquires measurements of high reproducibility. We report that the CCS values found for 86% of metabolites measured in replicate have a relative standard deviation lower than 0.2%. Examples of metabolites with near identical mass are demonstrated to be separated by ion mobility with over 4% difference in DTCCSN2 values. We conclude that the integration of ion mobility into current LC-MS workflows can aid in small molecule identification for both targeted and untargeted metabolite screening.

Graphical abstract: Mobilising ion mobility mass spectrometry for metabolomics

Back to tab navigation

Supplementary files

Article information


Submitted
15 May 2018
Accepted
09 Aug 2018
First published
20 Aug 2018

Analyst, 2018,143, 4783-4788
Article type
Paper

Mobilising ion mobility mass spectrometry for metabolomics

E. Sinclair, K. A. Hollywood, C. Yan, R. Blankley, R. Breitling and P. Barran, Analyst, 2018, 143, 4783
DOI: 10.1039/C8AN00902C

Social activity

Search articles by author

Spotlight

Advertisements