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Ammonia Concentration in the Eluent Influences Fragmentation Pattern of Triacylglycerols in Mass Spectrometry Analysis

Correct assessment of the fatty acyl at the glycerol -2 position in triacylglycerol (TAG) analysis by liquid chromatography and mass spectrometry (LC-MS) is challenging. Ammonium hydroxide (NH OH) is the preferred choice for the solvent additive for the formation of the ammonium adduct ([M + NH ] )....

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Published in:Metabolites 2022-05, Vol.12 (5), p.452
Main Authors: Velasco, Marta, Balgoma, David, Montero, Olimpio
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description Correct assessment of the fatty acyl at the glycerol -2 position in triacylglycerol (TAG) analysis by liquid chromatography and mass spectrometry (LC-MS) is challenging. Ammonium hydroxide (NH OH) is the preferred choice for the solvent additive for the formation of the ammonium adduct ([M + NH ] ). In this study, the influence of different NH OH concentrations in the eluents on TAG adduct formation and fragmentation under LC-MS analysis was assessed. Increasing NH OH concentrations delayed the chromatographic elution time according to a power function. The [M + NH ] and [M + ACN + NH ] adducts (where ACN means acetonitrile) were formed at all ammonium concentrations assayed. [M + ACN + NH ] predominated above 18.26 mM [NH OH], and the intensity of [M + NH ] dropped. TAG fragmentation for fatty acyl release in the MS was reduced with increasing [M + ACN + NH ] adduct, which suggests that ACN stabilizes the adduct in a way that inhibits the rupture of the ester bonds in TAGs. A linear equation (H = a × H , where -I refers to the position of the glycerol (I = 1, 2, or 3) and H is the peak height) was deduced to quantify the dehydroxydiacylglycerol fragment intensity in relation to [M + NH ] intensity in the full scan. This equation had a slope mean value of 0.369 ± 0.058 for the -1 and -3 positions, and of 0.188 ± 0.007 for the -2 position.
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subjects Acetonitrile
Adducts
Ammonia
Ammonium
Chromatography
Fatty acids
Glycerol
Influence
Liquid chromatography
Mass spectrometry
Mass spectroscopy
regioisomery
Scientific imaging
triacylglycerols
title Ammonia Concentration in the Eluent Influences Fragmentation Pattern of Triacylglycerols in Mass Spectrometry Analysis
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