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Mobilising Ion Mobility Mass Spectrometry in a Synthetic Biology Analytics Workflow

preprint
submitted on 17.04.2018 and posted on 18.04.2018 by Eleanor Sinclair, Katherine A. Hollywood, Cunyu Yan, Richard Blankley, Rainer Breitling, Perdita Barran

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 separation as well as collision cross section (CCS) determination. In order to apply such an approach to a synthetic biology 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 time-ion mobility-mass spectrometry (DT-IM-MS) with nitrogen as the buffer gas. Creating a useful database containing DTCCSN2 measurements for application in metabolite identification relies on a robust technique that acquires measurements of high reproducibility. We report that 86% of the 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 which is commonly performed in synthetic biology.

Funding

EPSRC, University Relations award Agilent Technologies

History

Email Address of Submitting Author

eleanor.sinclair@postgrad.manchester.ac.uk

Email Address(es) for Other Author(s)

katherine.hollywood@manchester.ac.uk cunyu.yan@manchester.ac.uk richard_blankley@agilent.com rainer.breitling@manchester.ac.uk perdita.barran@manchester.ac.uk

Institution

University of Manchester

Country

United Kingdom

ORCID For Submitting Author

0000-0003-0698-1105

Declaration of Conflict of Interest

no conflict of interest

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