LipiDex 2 Integrates MSn Tree-Based Fragmentation Methods and Quality Control Modules to Improve Discovery Lipidomics.
Anal Chem
; 96(17): 6715-6723, 2024 04 30.
Article
in En
| MEDLINE
| ID: mdl-38640432
ABSTRACT
As lipidomics experiments increase in scale and complexity, data processing tools must support workflows for new liquid chromatography-mass spectrometry (LC-MS) methods while simultaneously supporting quality controls to maximize the confidence in lipid identifications. LipiDex 2 improves lipidomics data processing algorithms from LipiDex 1 and introduces new tools for spectral matching and peak annotation functions, with improvements in speed and user-friendliness. In silico spectral library generation now supports tandem mass spectral (MSn) tree-based fragmentation methods, and the LipiDex 2 workflow fully integrates the fragmentation logic into the data processing steps to enable lipid identification at the appropriate level of structural resolution. Finally, LipiDex 2 features new modules for automated quality control checks that also allow users to visualize data quality in a data dashboard user interface.
Full text:
1
Collection:
01-internacional
Database:
MEDLINE
Main subject:
Quality Control
/
Tandem Mass Spectrometry
/
Lipidomics
Language:
En
Journal:
Anal Chem
Year:
2024
Document type:
Article
Affiliation country:
United States
Country of publication:
United States