Imperial College London
Alternate

Emeritus ProfessorJeremyNicholson

Faculty of Medicine, Department of Metabolism, Digestion and Reproduction

Emeritus Professor of Biological Chemistry
 
 
 
//

Contact

 

+44 (0)20 7594 3195j.nicholson Website

 
 
//

Assistant

 

Ms Wendy Torto +44 (0)20 7594 3225

 
//

Location

 

Office no. 665Sir Alexander Fleming BuildingSouth Kensington Campus

//

Summary

 

Publications

Citation

BibTex format

@article{Nye:2019:10.1016/j.chroma.2019.06.056,
author = {Nye, LC and Williams, JP and Munjoma, NC and Letertre, MPM and Coen, M and Bouwmeester, R and Martens, L and Swann, JR and Nicholson, JK and Plumb, RS and McCullagh, M and Gethings, LA and Lai, S and Langridge, J and Vissers, JPC and Wilson, ID},
doi = {10.1016/j.chroma.2019.06.056},
journal = {Journal of Chromatography A},
pages = {386--396},
title = {A comparison of collision cross section values obtained via travelling wave ion mobility-mass spectrometry and ultra high performance liquid chromatography-ion mobility-mass spectrometry: Application to the characterisation of metabolites in rat urine},
url = {http://dx.doi.org/10.1016/j.chroma.2019.06.056},
volume = {1602},
year = {2019}
}
Download

RIS format (EndNote, RefMan)

TY  - JOUR
AB  - A comprehensive Collision Cross Section (CCS) library was obtained via Travelling Wave Ion Guide mobility measurements through direct infusion (DI). The library consists of CCS and Mass Spectral (MS) data in negative and positive ElectroSpray Ionisation (ESI) mode for 463 and 479 endogenous metabolites, respectively. For both ionisation modes combined, TWCCSN2 data were obtained for 542 non-redundant metabolites. These data were acquired on two different ion mobility enabled orthogonal acceleration QToF MS systems in two different laboratories, with the majority of the resulting TWCCSN2 values (from detected compounds) found to be within 1% of one another. Validation of these results against two independent, external TWCCSN2 data sources and predicted TWCCSN2 values indicated to be within 1–2% of these other values. The same metabolites were then analysed using a rapid reversed-phase ultra (high) performance liquid chromatographic (U(H)PLC) separation combined with IM and MS (IM-MS) thus providing retention time (tr), m/z and TWCCSN2 values (with the latter compared with the DI-IM-MS data). Analytes for which TWCCSN2 values were obtained by U(H)PLC-IM-MS showed good agreement with the results obtained from DI-IM-MS. The repeatability of the TWCCSN2 values obtained for these metabolites on the different ion mobility QToF systems, using either DI or LC, encouraged the further evaluation of the U(H)PLC-IM-MS approach via the analysis of samples of rat urine, from control and methotrexate-treated animals, in order to assess the potential of the approach for metabolite identification and profiling in metabolic phenotyping studies. Based on the database derived from the standards 63 metabolites were identified in rat urine, using positive ESI, based on the combination of tr, TWCCSN2 and MS data.
AU  - Nye,LC
AU  - Williams,JP
AU  - Munjoma,NC
AU  - Letertre,MPM
AU  - Coen,M
AU  - Bouwmeester,R
AU  - Martens,L
AU  - Swann,JR
AU  - Nicholson,JK
AU  - Plumb,RS
AU  - McCullagh,M
AU  - Gethings,LA
AU  - Lai,S
AU  - Langridge,J
AU  - Vissers,JPC
AU  - Wilson,ID
DO  - 10.1016/j.chroma.2019.06.056
EP  - 396
PY  - 2019///
SN  - 0021-9673
SP  - 386
TI  - A comparison of collision cross section values obtained via travelling wave ion mobility-mass spectrometry and ultra high performance liquid chromatography-ion mobility-mass spectrometry: Application to the characterisation of metabolites in rat urine
T2  - Journal of Chromatography A
UR  - http://dx.doi.org/10.1016/j.chroma.2019.06.056
UR  - http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000482514100042&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=1ba7043ffcc86c417c072aa74d649202
UR  - https://www.sciencedirect.com/science/article/pii/S002196731930665X?via%3Dihub
UR  - http://hdl.handle.net/10044/1/77649
VL  - 1602
ER  -
Download