A Metabolomics Workflow for Analyzing Complex Biological Samples Using a Combined Method of Untargeted and Target-List Based Approaches.
CSF
LC-MS
LDA
XCMS
metabolomics
plasma
Journal
Metabolites
ISSN: 2218-1989
Titre abrégé: Metabolites
Pays: Switzerland
ID NLM: 101578790
Informations de publication
Date de publication:
25 Aug 2020
25 Aug 2020
Historique:
received:
23
07
2020
revised:
20
08
2020
accepted:
20
08
2020
entrez:
29
8
2020
pubmed:
29
8
2020
medline:
29
8
2020
Statut:
epublish
Résumé
In the highly dynamic field of metabolomics, we have developed a method for the analysis of hydrophilic metabolites in various biological samples. Therefore, we used hydrophilic interaction chromatography (HILIC) for separation, combined with a high-resolution mass spectrometer (MS) with the aim of separating and analyzing a wide range of compounds. We used 41 reference standards with different chemical properties to develop an optimal chromatographic separation. MS analysis was performed with a set of pooled biological samples human cerebrospinal fluid (CSF), and human plasma. The raw data was processed in a first step with Compound Discoverer 3.1 (CD), a software tool for untargeted metabolomics with the aim to create a list of unknown compounds. In a second step, we combined the results obtained with our internally analyzed reference standard list to process the data along with the Lipid Data Analyzer 2.6 (LDA), a software tool for a targeted approach. In order to demonstrate the advantages of this combined target-list based and untargeted approach, we not only compared the relative standard deviation (%RSD) of the technical replicas of pooled plasma samples (
Identifiants
pubmed: 32854199
pii: metabo10090342
doi: 10.3390/metabo10090342
pmc: PMC7570008
pii:
doi:
Types de publication
Journal Article
Langues
eng
Subventions
Organisme : Bundesministerium für Wissenschaft, Forschung und Wirtschaft
ID : BMWFW-10.420/0005-WF/V/3c/2017
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