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LipidMS v3.0.3: source code and example of lipidomics dataset for human serum

Authors: Alcoriza Balaguer, Maria Isabel; García Cañaveras, Juan Carlos; Ripoll Esteve, Francisco Javier; Lahoz, Agustin; Roca, Marta;

LipidMS v3.0.3: source code and example of lipidomics dataset for human serum

Abstract

Source code and example dataset for LipidMS v3.0.3: a commercially available pooled human serum sample was analyzed in positive and negative detection modes and using MS1, DIA and DDA approaches. The obtained datasets were processed using LipidMS v3.0, MS-DIAL v4.80 or a combination of data pre-processing in XCMS v3.16 and lipid annotation in LipidMS v3.0. This repository contains: - Raw data for positive and negative polarities using MS scan, DIA and DDA acquisition modes. - R scripts for processing with LipidMS v3.0.3 and XCMS v3.16.1 and parameters used for processing with MS-DIAL v4.80. - Source code for LipidMS v3.0.3. - Results obtained for the 3 different softwares employed. - Tutorials for LipidMS R package and online application. - Human pooled serum analysis Raw data for positive and negative polarities using MS scan, DIA and DDA acquisition modes for a human pooled serum sample with or without the addition of 68 lipid standars Results for the data processing and annotation of the lipid standards using LipidMS 3.0, XCMS 3.16 and MS-DIAL 4.80 Results for the manual curation of the total lipid annotations provided by both LipidMS 3.0 and MS-DIAL 4.80

Keywords

lipid annotation, DIA, lipidomics, bioinformatics, DDA, metabolomics, LC-MS

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selected citations
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This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
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