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Untargeted lipidomic profiling of grape highlights the importance of modified lipid species beyond the traditional compound classes

ABSTRACT:

The aim of this paper is to provide a detailed characterisation of grape lipidome. To achieve this objective, it starts by describing a pipeline implemented in R software to allow the semi-automatic annotation of the detected lipid species. It also provides an extensive description of the different properties of each molecule (such as retention time dependencies, mass accuracy, adduct formation and fragmentation patterns), which allowed the annotations to be made more accurately. Most annotated lipids in the grape samples were (lyso)glycerophospholipids and glycerolipids, although a few free fatty acids, hydroxyceramides and sitosterol esters were also observed. The proposed pipeline also allowed the identification of a series of methylated glycerophosphates never previously observed in grapes. The current results highlight the importance of expanding chemical analyses beyond the classical lipid categories.

INSTRUMENT(S): Liquid Chromatography MS - negative - reverse phase, Liquid Chromatography MS - positive - reverse phase

SUBMITTER: Mar Garcia-Aloy

PROVIDER: MTBLS5261 | MetaboLights | 2023-01-02

REPOSITORIES: MetaboLights

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Dataset's files

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			Action	DRS
	MTBLS5261	Other
	FILES	Other
	a_MTBLS5261_LCMS_ripening_DDA_NEG_metabolite_profiling.txt	Txt
	a_MTBLS5261_LCMS_ripening_DDA_POS_metabolite_profiling.txt	Txt
	a_MTBLS5261_LCMS_ripening_FS_NEG_metabolite_profiling.txt	Txt

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