Elucidation of triacylglycerols in cod liver oil by liquid chromatography electrospray tandem ion-trap mass spectrometry

Ying Xu Zeng; Pedro Araujo; Zhen Yu Du; Thu Thao Nguyen; Livar Frøyland; Bjørn Grung

doi:10.1016/j.talanta.2010.06.055

Elucidation of triacylglycerols in cod liver oil by liquid chromatography electrospray tandem ion-trap mass spectrometry

Ying Xu Zeng
, Pedro Araujo^*
, Zhen Yu Du
, Thu Thao Nguyen
, Livar Frøyland
, Bjørn Grung

^*此作品的通讯作者

Institute of Marine Research
University of Bergen
University of Algarve

科研成果: 期刊稿件 › 文章 › 同行评审

34 引用（Scopus）

摘要

Though liquid chromatography electrospray tandem mass spectrometry (LC-ESI-MS²) has been widely used in the structural elucidation of triacylglycerols (TAG) in vegetable oils, its potentiality for the identification of TAG molecules in omega-3 rich oils remains unexplored till date. Hence, this article investigates the applicability of LC-ESI-MS ² for the structural characterization of naturally occurring TAG in cod liver oil without the TAG fractionation during the sample preparation. A computational algorithm was developed to automatically interpret the mass spectra and elucidate the TAG structures respectively. The results were compared against the lipase benchmark method. A principal component analysis study revealed that it is possible to discriminate genuine from adulterated cod liver oil.

源语言	英语
页（从-至）	1261-1270
页数	10
期刊	Talanta
卷	82
期	4
DOI	https://doi.org/10.1016/j.talanta.2010.06.055
出版状态	已出版 - 15 9月 2010
已对外发布	是

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title = "Elucidation of triacylglycerols in cod liver oil by liquid chromatography electrospray tandem ion-trap mass spectrometry",

abstract = "Though liquid chromatography electrospray tandem mass spectrometry (LC-ESI-MS2) has been widely used in the structural elucidation of triacylglycerols (TAG) in vegetable oils, its potentiality for the identification of TAG molecules in omega-3 rich oils remains unexplored till date. Hence, this article investigates the applicability of LC-ESI-MS 2 for the structural characterization of naturally occurring TAG in cod liver oil without the TAG fractionation during the sample preparation. A computational algorithm was developed to automatically interpret the mass spectra and elucidate the TAG structures respectively. The results were compared against the lipase benchmark method. A principal component analysis study revealed that it is possible to discriminate genuine from adulterated cod liver oil.",

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T1 - Elucidation of triacylglycerols in cod liver oil by liquid chromatography electrospray tandem ion-trap mass spectrometry

AU - Zeng, Ying Xu

AU - Araujo, Pedro

AU - Du, Zhen Yu

AU - Nguyen, Thu Thao

AU - Frøyland, Livar

AU - Grung, Bjørn

PY - 2010/9/15

Y1 - 2010/9/15

N2 - Though liquid chromatography electrospray tandem mass spectrometry (LC-ESI-MS2) has been widely used in the structural elucidation of triacylglycerols (TAG) in vegetable oils, its potentiality for the identification of TAG molecules in omega-3 rich oils remains unexplored till date. Hence, this article investigates the applicability of LC-ESI-MS 2 for the structural characterization of naturally occurring TAG in cod liver oil without the TAG fractionation during the sample preparation. A computational algorithm was developed to automatically interpret the mass spectra and elucidate the TAG structures respectively. The results were compared against the lipase benchmark method. A principal component analysis study revealed that it is possible to discriminate genuine from adulterated cod liver oil.

AB - Though liquid chromatography electrospray tandem mass spectrometry (LC-ESI-MS2) has been widely used in the structural elucidation of triacylglycerols (TAG) in vegetable oils, its potentiality for the identification of TAG molecules in omega-3 rich oils remains unexplored till date. Hence, this article investigates the applicability of LC-ESI-MS 2 for the structural characterization of naturally occurring TAG in cod liver oil without the TAG fractionation during the sample preparation. A computational algorithm was developed to automatically interpret the mass spectra and elucidate the TAG structures respectively. The results were compared against the lipase benchmark method. A principal component analysis study revealed that it is possible to discriminate genuine from adulterated cod liver oil.

KW - Algorithm

KW - Cod liver oil

KW - Fatty acids

KW - Liquid chromatography electrospray tandem mass spectrometry

KW - Triacylglycerols

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DO - 10.1016/j.talanta.2010.06.055

M3 - 文章

AN - SCOPUS:77956189023

SN - 0039-9140

VL - 82

SP - 1261

EP - 1270

JO - Talanta

JF - Talanta

IS - 4

ER -

Elucidation of triacylglycerols in cod liver oil by liquid chromatography electrospray tandem ion-trap mass spectrometry

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