Mapping the regioisomeric distribution of fatty acids in triacylglycerols by hybrid mass spectrometry[S]

This study describes the use of hybrid mass spectrometry for the mapping, identification, and semi-quantitation of triacylglycerol regioisomers in fats and oils. The identification was performed based on the accurate mass and fragmentation pattern obtained by data-dependent fragmentation. Quantitati...

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Main Authors: Kornél Nagy, Laurence Sandoz, Frédéric Destaillats, Olivier Schafer
Format: Article
Language:English
Published: Elsevier 2013-01-01
Series:Journal of Lipid Research
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S0022227520417845
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spelling doaj-b429c07962b241bfb393ff66c60ace2d2021-04-28T06:05:07ZengElsevierJournal of Lipid Research0022-22752013-01-01541290305Mapping the regioisomeric distribution of fatty acids in triacylglycerols by hybrid mass spectrometry[S]Kornél Nagy0Laurence Sandoz1Frédéric Destaillats2Olivier Schafer3To whom correspondence should be addressed. e-mail: kornel.nagy@rdls.nestle.com.; To whom correspondence should be addressed. e-mail: kornel.nagy@rdls.nestle.com.; Food Science and Technology Department; Nestlé Research Center, Nestec Ltd., Lausanne, SwitzerlandFood Science and Technology Department; Nestlé Research Center, Nestec Ltd., Lausanne, SwitzerlandFood Science and Technology Department; Nestlé Research Center, Nestec Ltd., Lausanne, SwitzerlandFood Science and Technology Department; Nestlé Research Center, Nestec Ltd., Lausanne, SwitzerlandThis study describes the use of hybrid mass spectrometry for the mapping, identification, and semi-quantitation of triacylglycerol regioisomers in fats and oils. The identification was performed based on the accurate mass and fragmentation pattern obtained by data-dependent fragmentation. Quantitation was based on the high-resolution ion chromatograms, and relative proportion of sn-1(3)/sn-2 regioisomers was calculated based on generalized fragmentation models and the relative intensities observed in the product ion spectra. The key performance features of the developed method are inter-batch mass accuracy < 1 ppm (n = 10); lower limit of detection (triggering threshold) 0.1 μg/ml (equivalent to 0.2 weight % in oil); lower limit of quantitation 0.2 μg/ml (equivalent to 0.4 weight % in oil); peak area precision 6.5% at 2 μg/ml concentration and 15% at 0.2 μM concentration; inter-batch precision of fragment intensities < 1% (n = 10) independent of the investigated concentration; and averaged accuracy using the generic calibration 3.8% in the 1–10 μg/ml range and varies between 1–23% depending on analytes. Inter-esterified fat, beef tallow, pork lard, and butter fat samples were used to show how well regioisomeric distribution of palmitic acid can be captured by this method.http://www.sciencedirect.com/science/article/pii/S0022227520417845fatty acidlipidomicsnutritiontriglycerides
collection DOAJ
language English
format Article
sources DOAJ
author Kornél Nagy
Laurence Sandoz
Frédéric Destaillats
Olivier Schafer
spellingShingle Kornél Nagy
Laurence Sandoz
Frédéric Destaillats
Olivier Schafer
Mapping the regioisomeric distribution of fatty acids in triacylglycerols by hybrid mass spectrometry[S]
Journal of Lipid Research
fatty acid
lipidomics
nutrition
triglycerides
author_facet Kornél Nagy
Laurence Sandoz
Frédéric Destaillats
Olivier Schafer
author_sort Kornél Nagy
title Mapping the regioisomeric distribution of fatty acids in triacylglycerols by hybrid mass spectrometry[S]
title_short Mapping the regioisomeric distribution of fatty acids in triacylglycerols by hybrid mass spectrometry[S]
title_full Mapping the regioisomeric distribution of fatty acids in triacylglycerols by hybrid mass spectrometry[S]
title_fullStr Mapping the regioisomeric distribution of fatty acids in triacylglycerols by hybrid mass spectrometry[S]
title_full_unstemmed Mapping the regioisomeric distribution of fatty acids in triacylglycerols by hybrid mass spectrometry[S]
title_sort mapping the regioisomeric distribution of fatty acids in triacylglycerols by hybrid mass spectrometry[s]
publisher Elsevier
series Journal of Lipid Research
issn 0022-2275
publishDate 2013-01-01
description This study describes the use of hybrid mass spectrometry for the mapping, identification, and semi-quantitation of triacylglycerol regioisomers in fats and oils. The identification was performed based on the accurate mass and fragmentation pattern obtained by data-dependent fragmentation. Quantitation was based on the high-resolution ion chromatograms, and relative proportion of sn-1(3)/sn-2 regioisomers was calculated based on generalized fragmentation models and the relative intensities observed in the product ion spectra. The key performance features of the developed method are inter-batch mass accuracy < 1 ppm (n = 10); lower limit of detection (triggering threshold) 0.1 μg/ml (equivalent to 0.2 weight % in oil); lower limit of quantitation 0.2 μg/ml (equivalent to 0.4 weight % in oil); peak area precision 6.5% at 2 μg/ml concentration and 15% at 0.2 μM concentration; inter-batch precision of fragment intensities < 1% (n = 10) independent of the investigated concentration; and averaged accuracy using the generic calibration 3.8% in the 1–10 μg/ml range and varies between 1–23% depending on analytes. Inter-esterified fat, beef tallow, pork lard, and butter fat samples were used to show how well regioisomeric distribution of palmitic acid can be captured by this method.
topic fatty acid
lipidomics
nutrition
triglycerides
url http://www.sciencedirect.com/science/article/pii/S0022227520417845
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