Skip Navigation


JXB Advance Access originally published online on December 23, 2004
Journal of Experimental Botany 2005 56(410):219-243; doi:10.1093/jxb/eri069
This Article
Right arrow Full Text Freely available
Right arrow FREE Full Text (PDF) Freely available
Right arrow Supplementary figures in colour
Right arrow All Versions of this Article:
56/410/219    most recent
eri069v1
Right arrow E-letters: Submit a response
Right arrow Alert me when this article is cited
Right arrow Alert me when E-letters are posted
Right arrow Alert me if a correction is posted
Services
Right arrow Email this article to a friend
Right arrow Similar articles in this journal
Right arrow Similar articles in ISI Web of Science
Right arrow Similar articles in PubMed
Right arrow Alert me to new issues of the journal
Right arrow Add to My Personal Archive
Right arrow Download to citation manager
Right arrow Search for citing articles in:
ISI Web of Science (48)
Right arrowRequest Permissions
Right arrow Disclaimer
Google Scholar
Right arrow Articles by Halket, J. M.
Right arrow Articles by Bramley, P. M.
Right arrow Search for Related Content
PubMed
Right arrow PubMed Citation
Right arrow Articles by Halket, J. M.
Right arrow Articles by Bramley, P. M.
Agricola
Right arrow Articles by Halket, J. M.
Right arrow Articles by Bramley, P. M.
Social Bookmarking
Add to CiteULike   Add to Connotea   Add to Del.icio.us  
What's this?

Journal of Experimental Botany, Vol. 56, No. 410, © Society for Experimental Biology 2004; all rights reserved

RESEARCH PAPER

Chemical derivatization and mass spectral libraries in metabolic profiling by GC/MS and LC/MS/MS

John M. Halket1,2,*, Daniel Waterman1, Anna M. Przyborowska2, Raj K. P. Patel1,2, Paul D. Fraser1 and Peter M. Bramley1

1Bourne Laboratory, Centre for Chemical and Bioanalytical Sciences, Royal Holloway, University of London, Egham, Surrey TW20 0EX, UK
2Specialist Bioanalytical Services Limited, Royal Holloway, University of London, Egham, Surrey TW20 0EX, UK

* To whom correspondence should be addressed. E-mail: j.halket{at}rhul.ac.uk

An overview is presented of gas chromatography/mass spectrometry (GC/MS) and liquid chromatography/mass spectrometry (LC/MS), the two major hyphenated techniques employed in metabolic profiling that complement direct ‘fingerprinting’ methods such as atmospheric pressure ionization (API) quadrupole time-of-flight MS, API Fourier transform MS, and NMR. In GC/MS, the analytes are normally derivatized prior to analysis in order to reduce their polarity and facilitate chromatographic separation. The electron ionization mass spectra obtained are reproducible and suitable for library matching, mass spectral collections being readily available. In LC/MS, derivatization and library matching are at an early stage of development and mini-reviews are provided. Chemical derivatization can dramatically increase the sensitivity and specificity of LC/MS methods for less polar compounds and provides additional structural information. The potential of derivatization for metabolic profiling in LC/MS is demonstrated by the enhanced analysis of plant extracts, including the potential to measure volatile acids such as formic acid, difficult to achieve by GC/MS. The important role of mass spectral library creation and usage in these techniques is discussed and illustrated by examples.

Key words: Derivatization, electrospray ionization, food analysis, gas-liquid chromatography-mass spectrometry, ion trap, liquid chromatography-mass spectrometry, urine analysis, mass spectral library, metabolic profiling, tandem mass spectrometry, time-of-flight


Add to CiteULike CiteULike   Add to Connotea Connotea   Add to Del.icio.us Del.icio.us    What's this?


This article has been cited by other articles:


Home page
 BioinformaticsHome page
A. Luedemann, K. Strassburg, A. Erban, and J. Kopka
TagFinder for the quantitative analysis of gas chromatography--mass spectrometry (GC-MS)-based metabolite profiling experiments
Bioinformatics, March 1, 2008; 24(5): 732 - 737.
[Abstract] [Full Text] [PDF]

Home page
 J Exp BotHome page
A. Ulanov and J. M. Widholm
Effect of the expression of cyanamide hydratase on metabolites in cyanamide-treated soybean plants kept in the light or dark
J. Exp. Bot., December 1, 2007; 58(15-16): 4319 - 4332.
[Abstract] [Full Text] [PDF]

Home page
 Brief BioinformHome page
V. Shulaev
Metabolomics technology and bioinformatics
Brief Bioinform, June 1, 2006; 7(2): 128 - 139.
[Abstract] [Full Text] [PDF]


Disclaimer:
Please note that abstracts for content published before 1996 were created through digital scanning and may therefore not exactly replicate the text of the original print issues. All efforts have been made to ensure accuracy, but the Publisher will not be held responsible for any remaining inaccuracies. If you require any further clarification, please contact our Customer Services Department.