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Metabolic Phenotyping Using UPLC–MS and Rapid Microbore UPLC–IM–MS: Determination of the Effect of Different Dietary Regimes on the Urinary Metabolome of the Rat

Metabolic Phenotyping Using UPLC–MS and Rapid Microbore UPLC–IM–MS: Determination of the Effect of Different Dietary Regimes on the Urinary Metabolome of the Rat
Metabolic Phenotyping Using UPLC–MS and Rapid Microbore UPLC–IM–MS: Determination of the Effect of Different Dietary Regimes on the Urinary Metabolome of the Rat

A rapid reversed-phase gradient method employing a 50 mm × 1 mm i.d., C18 microbore column, combined with ion mobility and high-resolution mass spectrometry, was applied to the metabolic phenotyping of urine samples obtained from rats receiving different diets. This method was directly compared to a “conventional” method employing a 150 × 2.1 mm i.d. column packed with the same C18 bonded phase using the same samples. Multivariate statistical analysis of the resulting data showed similar class discrimination for both microbore and conventional methods, despite the detection of fewer mass/retention time features by the former. Multivariate statistical analysis highlighted a number of ions that represented diet-specific markers in the samples. Several of these were then identified using the combination of mass, ion-mobility-derived collision cross section and retention time including N-acetylglutamate, urocanic acid, and xanthurenic acid. Kynurenic acid was tentatively identified based on mass and ion mobility data.

Ion mobility, Metabolic phenotyping, Metabolite identification, Microbore columns
0009-5893
853-861
Letertre, Marine
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Munjoma, Nyasha C.
bec183c0-7a1e-4600-8610-93e91f46129a
Slade, Susan E.
8b0997e3-514a-4d82-87a1-7c3066e3a500
Plumb, Robert S.
21da55b0-ef47-469d-9d0b-e2151cf83b53
Swann, Jon
7c11a66b-f4b8-4dbf-aa17-ad8b0561b85c
Coen, Muireann
a4ad37ca-ea2d-4353-a09b-098159e1e273
Nicholson, Jeremy K.
f1596b60-4b24-4a72-9855-0e0a6f196558
Wilson, Ian D.
d7da811b-6cc9-4166-82d0-e780c95122d2
Letertre, Marine
d3fd7a8d-bd8e-4f77-afbd-51b39a695d2a
Munjoma, Nyasha C.
bec183c0-7a1e-4600-8610-93e91f46129a
Slade, Susan E.
8b0997e3-514a-4d82-87a1-7c3066e3a500
Plumb, Robert S.
21da55b0-ef47-469d-9d0b-e2151cf83b53
Swann, Jon
7c11a66b-f4b8-4dbf-aa17-ad8b0561b85c
Coen, Muireann
a4ad37ca-ea2d-4353-a09b-098159e1e273
Nicholson, Jeremy K.
f1596b60-4b24-4a72-9855-0e0a6f196558
Wilson, Ian D.
d7da811b-6cc9-4166-82d0-e780c95122d2

Letertre, Marine, Munjoma, Nyasha C., Slade, Susan E., Plumb, Robert S., Swann, Jon, Coen, Muireann, Nicholson, Jeremy K. and Wilson, Ian D. (2020) Metabolic Phenotyping Using UPLC–MS and Rapid Microbore UPLC–IM–MS: Determination of the Effect of Different Dietary Regimes on the Urinary Metabolome of the Rat. Chromatographia, 83 (7), 853-861. (doi:10.1007/s10337-020-03900-4).

Record type: Article

Abstract

A rapid reversed-phase gradient method employing a 50 mm × 1 mm i.d., C18 microbore column, combined with ion mobility and high-resolution mass spectrometry, was applied to the metabolic phenotyping of urine samples obtained from rats receiving different diets. This method was directly compared to a “conventional” method employing a 150 × 2.1 mm i.d. column packed with the same C18 bonded phase using the same samples. Multivariate statistical analysis of the resulting data showed similar class discrimination for both microbore and conventional methods, despite the detection of fewer mass/retention time features by the former. Multivariate statistical analysis highlighted a number of ions that represented diet-specific markers in the samples. Several of these were then identified using the combination of mass, ion-mobility-derived collision cross section and retention time including N-acetylglutamate, urocanic acid, and xanthurenic acid. Kynurenic acid was tentatively identified based on mass and ion mobility data.

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More information

Accepted/In Press date: 27 April 2020
e-pub ahead of print date: 15 May 2020
Published date: 1 July 2020
Additional Information: Funding Information: Stratigrad is gratefully acknowledged for financial support of a Ph.D. studentship to Martine Letertre NIHR Imperial BRC is acknowledged for support to Muireann Coen. Publisher Copyright: © 2020, The Author(s). Copyright: Copyright 2020 Elsevier B.V., All rights reserved.
Keywords: Ion mobility, Metabolic phenotyping, Metabolite identification, Microbore columns

Identifiers

Local EPrints ID: 449880
URI: http://eprints.soton.ac.uk/id/eprint/449880
ISSN: 0009-5893
PURE UUID: 445e2e84-6737-42c8-80a8-0636d75a2d82
ORCID for Jon Swann: ORCID iD orcid.org/0000-0002-6485-4529

Catalogue record

Date deposited: 23 Jun 2021 16:31
Last modified: 18 Mar 2024 03:56

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Contributors

Author: Marine Letertre
Author: Nyasha C. Munjoma
Author: Susan E. Slade
Author: Robert S. Plumb
Author: Jon Swann ORCID iD
Author: Muireann Coen
Author: Jeremy K. Nicholson
Author: Ian D. Wilson

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