Towards fruitful metabolomics

high throughput analyses of polyphenol composition in berries using direct infusion mass spectrometry

Gordon McDougall, Inger Martinussen, Derek Stewart

    Research output: Contribution to journalArticle

    63 Citations (Scopus)

    Abstract

    Tannin-enriched extracts from raspberry, cloudberry and strawberry were analysed by liquid chromatography-mass spectrometric (LC-MS) techniques. The raspberry and cloudberry extracts contained a similar mixture of identifiable ellagitannin components and ellagic acid. However, the strawberry extract contained a complex mixture of ellagitannin and proanthocyanidin components that could not be adequately resolved to allow identification of individual peaks. Nevertheless, the negative ESI-MS spectra obtained by direct infusion mass spectrometric (DIMS) analysis described the diversity of these samples. For example, the predominance of signals associated with Lambertianin C in cloudberry and Sanguiin H6 in raspberry tannin extracts could be discerned and the diversity of signals from procyanidin and propelargonidin oligomers could be identified in the strawberry extract. The dose response for the main ellagitannin-derived signals in the raspberry tannin sample revealed a saturation effect probably due to ion suppression effects in the ion trap spectrometer. Nevertheless, DIMS spectra of whole berry extracts described qualitative differences in ellagitannin-derived peaks in raspberry, cloudberry and strawberry samples. In addition, positive mode DIMS spectra illustrated qualitative differences in the anthocyanin composition of berries of progeny from a raspberry breeding population that had been previously analysed by LC-MS. This suggests that DIMS could be applied to rapidly assess differences in polyphenol content, especially in large sample sets such as the progeny from breeding programmes.
    Original languageEnglish
    Pages (from-to)362-369
    Number of pages8
    JournalJournal of Chromatography B-Analytical Technologies in the Biomedical and Life Sciences
    Volume871
    Issue number2
    DOIs
    Publication statusPublished - 2008

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    Metabolomics
    Polyphenols
    Mass spectrometry
    Tannins
    Fruit
    Fragaria
    Mass Spectrometry
    Throughput
    Liquid chromatography
    Chemical analysis
    Ions
    Ellagic Acid
    Liquid Chromatography
    Breeding
    Anthocyanins
    Complex Mixtures
    Oligomers
    Spectrometers
    Rubus
    ellagitannin

    Keywords

    • Anthocyanins
    • Chromatography, Liquid
    • Computational Biology
    • Flavonoids
    • Fruit
    • Mass Spectrometry
    • Metabolism
    • Phenols
    • Polyphenols
    • Rosaceae

    Cite this

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    abstract = "Tannin-enriched extracts from raspberry, cloudberry and strawberry were analysed by liquid chromatography-mass spectrometric (LC-MS) techniques. The raspberry and cloudberry extracts contained a similar mixture of identifiable ellagitannin components and ellagic acid. However, the strawberry extract contained a complex mixture of ellagitannin and proanthocyanidin components that could not be adequately resolved to allow identification of individual peaks. Nevertheless, the negative ESI-MS spectra obtained by direct infusion mass spectrometric (DIMS) analysis described the diversity of these samples. For example, the predominance of signals associated with Lambertianin C in cloudberry and Sanguiin H6 in raspberry tannin extracts could be discerned and the diversity of signals from procyanidin and propelargonidin oligomers could be identified in the strawberry extract. The dose response for the main ellagitannin-derived signals in the raspberry tannin sample revealed a saturation effect probably due to ion suppression effects in the ion trap spectrometer. Nevertheless, DIMS spectra of whole berry extracts described qualitative differences in ellagitannin-derived peaks in raspberry, cloudberry and strawberry samples. In addition, positive mode DIMS spectra illustrated qualitative differences in the anthocyanin composition of berries of progeny from a raspberry breeding population that had been previously analysed by LC-MS. This suggests that DIMS could be applied to rapidly assess differences in polyphenol content, especially in large sample sets such as the progeny from breeding programmes.",
    keywords = "Anthocyanins, Chromatography, Liquid, Computational Biology, Flavonoids, Fruit, Mass Spectrometry, Metabolism, Phenols, Polyphenols, Rosaceae",
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    Towards fruitful metabolomics : high throughput analyses of polyphenol composition in berries using direct infusion mass spectrometry. / McDougall, Gordon; Martinussen, Inger; Stewart, Derek.

    In: Journal of Chromatography B-Analytical Technologies in the Biomedical and Life Sciences, Vol. 871, No. 2, 2008, p. 362-369.

    Research output: Contribution to journalArticle

    TY - JOUR

    T1 - Towards fruitful metabolomics

    T2 - high throughput analyses of polyphenol composition in berries using direct infusion mass spectrometry

    AU - McDougall, Gordon

    AU - Martinussen, Inger

    AU - Stewart, Derek

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    N2 - Tannin-enriched extracts from raspberry, cloudberry and strawberry were analysed by liquid chromatography-mass spectrometric (LC-MS) techniques. The raspberry and cloudberry extracts contained a similar mixture of identifiable ellagitannin components and ellagic acid. However, the strawberry extract contained a complex mixture of ellagitannin and proanthocyanidin components that could not be adequately resolved to allow identification of individual peaks. Nevertheless, the negative ESI-MS spectra obtained by direct infusion mass spectrometric (DIMS) analysis described the diversity of these samples. For example, the predominance of signals associated with Lambertianin C in cloudberry and Sanguiin H6 in raspberry tannin extracts could be discerned and the diversity of signals from procyanidin and propelargonidin oligomers could be identified in the strawberry extract. The dose response for the main ellagitannin-derived signals in the raspberry tannin sample revealed a saturation effect probably due to ion suppression effects in the ion trap spectrometer. Nevertheless, DIMS spectra of whole berry extracts described qualitative differences in ellagitannin-derived peaks in raspberry, cloudberry and strawberry samples. In addition, positive mode DIMS spectra illustrated qualitative differences in the anthocyanin composition of berries of progeny from a raspberry breeding population that had been previously analysed by LC-MS. This suggests that DIMS could be applied to rapidly assess differences in polyphenol content, especially in large sample sets such as the progeny from breeding programmes.

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    KW - Anthocyanins

    KW - Chromatography, Liquid

    KW - Computational Biology

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    KW - Fruit

    KW - Mass Spectrometry

    KW - Metabolism

    KW - Phenols

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    KW - Rosaceae

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    M3 - Article

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    JO - Journal of Chromatography B-Analytical Technologies in the Biomedical and Life Sciences

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    SN - 1570-0232

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