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...
Main Authors: | , , , |
---|---|
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 |
id |
doaj-b429c07962b241bfb393ff66c60ace2d |
---|---|
record_format |
Article |
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 |
work_keys_str_mv |
AT kornelnagy mappingtheregioisomericdistributionoffattyacidsintriacylglycerolsbyhybridmassspectrometrys AT laurencesandoz mappingtheregioisomericdistributionoffattyacidsintriacylglycerolsbyhybridmassspectrometrys AT fredericdestaillats mappingtheregioisomericdistributionoffattyacidsintriacylglycerolsbyhybridmassspectrometrys AT olivierschafer mappingtheregioisomericdistributionoffattyacidsintriacylglycerolsbyhybridmassspectrometrys |
_version_ |
1721504278841917440 |