Article ; Online: Electron-activated dissociation (EAD) for the complementary annotation of metabolites and lipids through data-dependent acquisition analysis and feature-based molecular networking, applied to the sentinel amphipod Gammarus fossarum.
Analytical and bioanalytical chemistry
2024 Volume 416, Issue 12, Page(s) 2893–2911
Abstract: The past decades have marked the rise of metabolomics and lipidomics as the -omics sciences which reflect the most phenotypes in living systems. Mass spectrometry-based approaches are acknowledged for both quantification and identification of molecular ... ...
| Abstract | The past decades have marked the rise of metabolomics and lipidomics as the -omics sciences which reflect the most phenotypes in living systems. Mass spectrometry-based approaches are acknowledged for both quantification and identification of molecular signatures, the latter relying primarily on fragmentation spectra interpretation. However, the high structural diversity of biological small molecules poses a considerable challenge in compound annotation. Feature-based molecular networking (FBMN) combined with database searches currently sets the gold standard for annotation of large datasets. Nevertheless, FBMN is usually based on collision-induced dissociation (CID) data, which may lead to unsatisfying information. The use of alternative fragmentation methods, such as electron-activated dissociation (EAD), is undergoing a re-evaluation for the annotation of small molecules, as it gives access to additional fragmentation routes. In this study, we apply the performances of data-dependent acquisition mass spectrometry (DDA-MS) under CID and EAD fragmentation along with FBMN construction, to perform extensive compound annotation in the crude extracts of the freshwater sentinel organism Gammarus fossarum. We discuss the analytical aspects of the use of the two fragmentation modes, perform a general comparison of the information delivered, and compare the CID and EAD fragmentation pathways for specific classes of compounds, including previously unstudied species. In addition, we discuss the potential use of FBMN constructed with EAD fragmentation spectra to improve lipid annotation, compared to the classic CID-based networks. Our approach has enabled higher confidence annotations and finer structure characterization of 823 features, including both metabolites and lipids detected in G. fossarum extracts. |
|---|---|
| MeSH term(s) | Animals ; Amphipoda/metabolism ; Amphipoda/chemistry ; Lipids/chemistry ; Lipids/analysis ; Metabolomics/methods ; Lipidomics/methods ; Mass Spectrometry/methods ; Sentinel Species/metabolism ; Electrons |
| Chemical Substances | Lipids |
| Language | English |
| Publishing date | 2024-03-16 |
| Publishing country | Germany |
| Document type | Journal Article |
| ZDB-ID | 201093-8 |
| ISSN | 1618-2650 ; 0016-1152 ; 0372-7920 |
| ISSN (online) | 1618-2650 |
| ISSN | 0016-1152 ; 0372-7920 |
| DOI | 10.1007/s00216-024-05232-w |
| Database | MEDical Literature Analysis and Retrieval System OnLINE |
Full text online
More links
Kategorien
In stock of ZB MED Bonn / Germany
| Z 4' 69/97: Show issues | ||||
| Archiv 3: Show issues | ||||
| Z 9.4: Show issues |
Order via subito
This service is chargeable due to the Delivery terms set by subito. Orders including an article and supplementary material will be classified as separate orders. In these cases, fees will be demanded for each order.
Inter-library loan at ZB MED
Your chosen title can be delivered directly to ZB MED Cologne location if you are registered as a user at ZB MED Cologne.