Analysis of Highly Polar Compounds of Plant Origin: Combination of Hydrophilic Interaction Chromatography and Electrospray Ion Trap Mass Spectrometry

Tolstikov, Vladimir; Fiehn, Oliver

doi:10.1006/abio.2001.5513

Cited by 443 publications

(317 citation statements)

References 25 publications

Supporting

Mentioning

309

Contrasting

Unclassified

Order By: Relevance

“…PGC, HILIC and HPAEC provide superior resolution of oligosaccharides and allow separation of some isomers. Each has been employed in LC/MS applications for separation of native glycans and/or glycans derivatized at the reducing end [27][28][29][30][31]. PGC is an attractive candidate for application to characterization of permethylated glycans as it has been reported to provide excellent separation of analytes ranging from highly polar to hydrophobic.…”

mentioning

confidence: 99%

A glycomics platform for the analysis of permethylated oligosaccharide alditols

Costello

Contado-Miller

Cipollo

2007

J. Am. Soc. Mass Spectrom.

156

166

View full text Add to dashboard Cite

This communication reports the development of an LC/MS platform for the analysis of permethylated oligosaccharide alditols that, for the first time, demonstrates routine online oligosaccharide isomer separation of these compounds before introduction into the mass spectrometer. The method leverages a high-resolution liquid chromatography system with the superior fragmentation pattern characteristics of permethylated oligosaccharide alditols that are dissociated under low-energy collision conditions using quadrupole orthogonal time-offlight (QoTOF) instrumentation and up to pseudo MS 3 mass spectrometry. Glycoforms, including isomers, are readily identified and their structures assigned. The isomer-specific spectra include highly informative cross-ring and elimination fragments, branch position specific signatures, and glycosidic bond fragments, thus facilitating linkage, branch, and sequence assignment. The method is sensitive and can be applied using as little as 40 fmol of derivatized oligosaccharide. Because permethylation renders oligosaccharides nearly chemically equivalent in the mass spectrometer, the method is semiquantitative and, in this regard, is comparable to methods reported using high field NMR and capillary electrophoresis. In this postgenomic age, the importance of glycosylation in biological processes has become clear. The nature of many of the important questions in glycomics is such that sample material is often extremely limited, thus necessitating the development of highly sensitive methods for rigorous structural assignment of the oligosaccharides in complex mixtures. The glycomics platform presented here fulfills these criteria and should lead to more facile glycomics analyses. (J Am

show abstract

mentioning

confidence: 99%

A glycomics platform for the analysis of permethylated oligosaccharide alditols

Costello

Contado-Miller

Cipollo

2007

J. Am. Soc. Mass Spectrom.

156

166

View full text Add to dashboard Cite

show abstract

“…However, sub-2 µm particles reach a greater effi ciency and maintain it under increasing linear velocity. (Tolstikov and Fiehn, 2002), sugars and sugar alcohols (Tolstikov et al, 2003;Moco et al, 2006), sterols, steroids, phospholipids and fatty acids (Allwood et al, 2006); however atmospheric pressure chemical ionisation (APCI) is also an appropriate method, especially for the ionisation of non-polar metabolite species such as phospholipids, fatty acids, sterols, steroids, certain esters and essential oils, one classic example in plant studies being the analysis of lipid soluble carotenoids (Dachtler et al, 2001;Schweiggert et al, 2005). Essentially the hardware requirements for APCI (Fig.…”

Section: Sample Introduction and Ionisation Methods Employed In Liquimentioning

confidence: 99%

“…Quadrupoles were one of the fi rst varieties of mass analyser employed in metabolomics studies, being applied to both LC-MS (Tolstikov and Fiehn, 2002) and GC-MS (Fiehn et al, 2000). The single quadrupole consists of four parallel metal rods.…”

Section: The Quadrupole (Q) and Triple Quadrupole (Qqq) Mass Analysersmentioning

confidence: 99%

“…APCI generally has a greater ability to ionise non-polar compounds and so if a study was particularly targeted towards phospholipids and fatty acids (Allwood et al, 2006), plant sterols or oil soluble pigments such as carotenoids (Dachtler et al, 2001;Schweiggert et al, 2005), APCI would be the most appropriate ionisation method. Alternatively, ESI is more suited to the ionisation of more polar compounds, for example, amino acids (Tolstikov and Fiehn, 2002), sugars and sugar alcohols (Tolstikov et al, 2003;Moco et al, 2006), glucosides and fl avanoids (De Vos et al, 2007;Hanhineva et al, 2008). Certain groups of compounds, such as the organic acids, ionise well with both APCI and ESI (Tolstikov and Fiehn, 2002), although certain specifi c organic acids are only amenable to ionisation via one method or the other, depending upon their polarity.…”

Section: Applications Of the Various Mass Spectrometry Analysers Withmentioning

confidence: 99%

See 1 more Smart Citation

An introduction to liquid chromatography–mass spectrometry instrumentation applied in plant metabolomic analyses

Allwood

Goodacre

2009

Phytochemical Analysis

218

143

View full text Add to dashboard Cite

Over the past decade the application of non-targeted high-throughput metabolomic analysis within the plant sciences has gained ever increasing interest and has truly established itself as a valuable tool for plant functional genomics and studies of plant biochemical composition. Whilst proton nuclear magnetic resonance ( 1 H-NMR) spectroscopy is particularly appropriate for the analysis of bulk metabolites and gas chromatography mass spectrometry (GC-MS) to the analysis of volatile organic compounds (VOC's) and derivatised primary metabolites, liquid chromatography (LC)-MS is highly applicable to the analysis of a wide range of semi-polar compounds including many secondary metabolites of interest to plant researchers and nutritionists. In view of the recent developments in the separation sciences, leading to the advent of ultra high performance liquid chromatography (UHPLC) and MS based technology showing the ever improving resolution of metabolite species and precision of mass measurements (sub-ppm accuracy now being achievable), this review sets out to introduce the background and update the reader upon LC, high performance (HP)LC and UHPLC, as well as the large range of MS instruments that are being applied in current plant metabolomic studies. As well as covering the theory behind modern day LC-MS, the review also discusses the most relevant metabolomics applications for the wide range of MS instruments that are currently being applied to LC.

show abstract

“…Two-dimensional GCxGC-tof-MS has been exploited further to treble this number to >4000 raw peaks, which equates to 1800 metabolite peaks [47,48]. Comparable liquid-phase chromatographies based on reverse-phase UPLC-MS [49,50] can measure thousands of peaks, and a new version of normal-phase UPLC-MS using HILIC [51,52] columns provides complementary measurements. Although what one measures can be influenced strongly by the means of extraction [53], how do these numbers compare with the known or inferred size of the human metabolome?…”

Section: Metabolomics and Technologies For Its Measurementmentioning

confidence: 99%

Systems biology, metabolic modelling and metabolomics in drug discovery and development

Kell

2006

Drug Discovery Today

266

163

View full text Add to dashboard Cite

Unlike signalling pathways, metabolic networks are subject to strict stoichiometric constraints. Metabolomics amplifies changes in the proteome, and represents more closely the phenotype of an organism. Recent advances enable the production (and computer-readable encoding as SBML) of metabolic network models reconstructed from genome sequences, as well as experimental measurements of much of the metabolome. There is increasing convergence between the number of human metabolites estimated via genomics ( 3000) and the number measured experimentally. It is thus both timely, and now possible, to bring these two approaches together as an integrated (if distributed) whole to help understand the genesis of metabolic biomarkers, the progress of disease, and the modes of action, efficacy, off-target effects and toxicity of pharmaceutical drugs. Systems biology and metabolic modelling in the 21st CenturyAlthough there are many individual definitions, most commentators (including this one [1,2]) take it that systems biology involves an iterative interplay between more or less high-throughput and high-content 'wet' experiments, technology development, theory and computational modelling, and that it is the involvement of computational modelling, in particular, in the process that sets systems biology apart from the more traditional and more reductionist molecular biology. Metabolomics illustrates this amply. There is also the view that the perceived decrease in the effectiveness of the target-based drug discovery process [3][4][5], including the still-high levels of attrition [6], means that we must move towards understanding organisms at something more akin to a whole-system level [7][8][9][10][11].The question then arises as to what part of a system one might first beneficially model? Although there has, unsurprisingly, been considerable interest in modelling the major signalling pathways (e.g. Refs [12,13]), there are several reasons why it is timely to turn our attention to the level of small molecule metabolism, which is the focus of this review. Metabolism is more discriminatingIt has long been known, and proven through the formalism of metabolic control analysis [7,10,[14][15][16], that whereas small changes in the concentrations of enzymes (and the transcripts that encode them) have only small effects on the fluxes through metabolic pathways, they have substantial effects on the concentrations of metabolic intermediates. Because the metabolome (nominally the concentrations of 'all' the metabolites measured in a system of interest [17]) is downstream of the proteome, it is thereby 'amplified' both in theory [18] and in practice [19,20] and represents a more sensitive level of organisation than do the macromolecular 'omes for understanding a complex biological system, and the changes in it that might be occasioned by disease or pharmaceutical intervention [21,22]. Metabolic reconstruction is now mature and timelyAn attractive feature for the purposes of modelling is that metabolism, in contrast to signalling pathways, ...

show abstract

Analysis of Highly Polar Compounds of Plant Origin: Combination of Hydrophilic Interaction Chromatography and Electrospray Ion Trap Mass Spectrometry

Cited by 443 publications

References 25 publications

A glycomics platform for the analysis of permethylated oligosaccharide alditols

A glycomics platform for the analysis of permethylated oligosaccharide alditols

An introduction to liquid chromatography–mass spectrometry instrumentation applied in plant metabolomic analyses

Systems biology, metabolic modelling and metabolomics in drug discovery and development

Contact Info

Product

Resources

About