ResearchSpace

Collision energy alteration during mass spectrometric acquisition is essential to ensure unbiased metabolomic analysis

Show simple item record

dc.contributor.author Madala, NE
dc.contributor.author Steenkamp, PA
dc.contributor.author Piater, LA
dc.contributor.author Dubery, IA
dc.date.accessioned 2013-04-17T10:13:09Z
dc.date.available 2013-04-17T10:13:09Z
dc.date.issued 2012-08
dc.identifier.citation Madala, N.E, Steenkamp, P.A, Piater, L.A and Dubery, I.A. 2012. Collision energy alteration during mass spectrometric acquisition is essential to ensure unbiased metabolomic analysis. Analytical and Bioanalytical Chemistry, vol. 404(2), pp 367-372 en_US
dc.identifier.issn 1618-2642
dc.identifier.uri http://link.springer.com/article/10.1007%2Fs00216-012-6135-z
dc.identifier.uri http://hdl.handle.net/10204/6670
dc.description Copyright: 2012 Springer-Verlag. This is an ABSTRACT ONLY. The definitive version is published in Analytical and Bioanalytical Chemistry, vol. 404(2), pp 367-372 en_US
dc.description.abstract Metabolomics entails identification and quantification of all metabolites within a biological system with a given physiological status; as such, it should be unbiased. A variety of techniques are used to measure the metabolite content of living systems, and results differ with the mode of data acquisition and output generation. LC–MS is one of many techniques that has been used to study the metabolomes of different organisms but, although used extensively, it does not provide a complete metabolic picture. Recent developments in technology, for example the introduction of UPLC–ESI–MS, have, however, seen LC–MS become the preferred technique for metabolomics. Here, we show that when MS settings are varied in UPLC–ESI–MS, different metabolite profiles result from the same sample. During use of a Synapt UPLC–high definition MS instrument, the collision energy was continually altered (3, 10, 20, and 30 eV) during MS acquisition. PCA and OPLS-DA analysis of the generated UPLC–MS data of metabolites extracted from elicited tobacco cells revealed different clustering and different distribution patterns. As expected, ion abundance decreases with increasing collision energy, but, more importantly, results in unique multivariate data patterns from the same samples. Our findings suggest that different collision energy settings should be investigated during MS data acquisition because these can contribute to coverage of a wider range of the metabolome by UPLC–ESI–MS and prevent biased results. en_US
dc.language.iso en en_US
dc.publisher Springer-Verlag en_US
dc.relation.ispartofseries Workflow;10302
dc.subject Metabolomics en_US
dc.subject Collision energy en_US
dc.subject Metabolites en_US
dc.title Collision energy alteration during mass spectrometric acquisition is essential to ensure unbiased metabolomic analysis en_US
dc.type Article en_US
dc.identifier.apacitation Madala, N., Steenkamp, P., Piater, L., & Dubery, I. (2012). Collision energy alteration during mass spectrometric acquisition is essential to ensure unbiased metabolomic analysis. http://hdl.handle.net/10204/6670 en_ZA
dc.identifier.chicagocitation Madala, NE, PA Steenkamp, LA Piater, and IA Dubery "Collision energy alteration during mass spectrometric acquisition is essential to ensure unbiased metabolomic analysis." (2012) http://hdl.handle.net/10204/6670 en_ZA
dc.identifier.vancouvercitation Madala N, Steenkamp P, Piater L, Dubery I. Collision energy alteration during mass spectrometric acquisition is essential to ensure unbiased metabolomic analysis. 2012; http://hdl.handle.net/10204/6670. en_ZA
dc.identifier.ris TY - Article AU - Madala, NE AU - Steenkamp, PA AU - Piater, LA AU - Dubery, IA AB - Metabolomics entails identification and quantification of all metabolites within a biological system with a given physiological status; as such, it should be unbiased. A variety of techniques are used to measure the metabolite content of living systems, and results differ with the mode of data acquisition and output generation. LC–MS is one of many techniques that has been used to study the metabolomes of different organisms but, although used extensively, it does not provide a complete metabolic picture. Recent developments in technology, for example the introduction of UPLC–ESI–MS, have, however, seen LC–MS become the preferred technique for metabolomics. Here, we show that when MS settings are varied in UPLC–ESI–MS, different metabolite profiles result from the same sample. During use of a Synapt UPLC–high definition MS instrument, the collision energy was continually altered (3, 10, 20, and 30 eV) during MS acquisition. PCA and OPLS-DA analysis of the generated UPLC–MS data of metabolites extracted from elicited tobacco cells revealed different clustering and different distribution patterns. As expected, ion abundance decreases with increasing collision energy, but, more importantly, results in unique multivariate data patterns from the same samples. Our findings suggest that different collision energy settings should be investigated during MS data acquisition because these can contribute to coverage of a wider range of the metabolome by UPLC–ESI–MS and prevent biased results. DA - 2012-08 DB - ResearchSpace DP - CSIR KW - Metabolomics KW - Collision energy KW - Metabolites LK - https://researchspace.csir.co.za PY - 2012 SM - 1618-2642 T1 - Collision energy alteration during mass spectrometric acquisition is essential to ensure unbiased metabolomic analysis TI - Collision energy alteration during mass spectrometric acquisition is essential to ensure unbiased metabolomic analysis UR - http://hdl.handle.net/10204/6670 ER - en_ZA


Files in this item

This item appears in the following Collection(s)

Show simple item record