| Autor: |
Anderson, Benton J., Brademan, Dain R., He, Yuchen, Overmyer, Katherine A., Coon, Joshua J. |
| Zdroj: |
Analytical Chemistry; April 2024, Vol. 96 Issue: 17 p6715-6723, 9p |
| Abstrakt: |
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 silicospectral 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. |
| Databáze: |
Supplemental Index |
| Externí odkaz: |
|
