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High Throughput Data Analysis from Data Independent Acquisition (DIA) Experiments

A comprehensive high-throughput workflow for data-independent acquisition is supported in SimLipid. The program can process raw data acquired using Data Independent Acquisition (DIA) methods from all major MS vendors namely, Waters (SONAR/HDMS^E), Agilent, Thermo, Sciex (MSMSALL). The program facilitates user with a highly efficient peak detection, peak picking algorithm and association of product ions to their precursor ions acquired. The program facilitates the visualization of both raw and processed data acquired using Data Independent Acquisition methods.

Key Features:

1. Load raw data from native files (.raw) for DIA methods. User can visualize:
   • Raw data as both Total Ion Chromatogram (TIC) and spectra.
   • Processed data in the form of peaklists that shows all the LC-detected compounds.
   • Extracted ion chromatogram (XIC) of the detected compound in retention time axis.
   • Extracted ion chromatogram (XIC) of the compound in either drift time or quadrupole positions (bin axis).
   • Overlay of XICs of precursor ion m/z and its fragment ions (in either drift time or quadrupole positions (bin) axis).
2. Program can process the DIA data acquired using Waters SONAR and HDMS^E workflow and Sciex MSMSALL, Agilent's DIA method.
3. Faster loading and processing of Waters^® UPLC^® SONAR™ and Waters^® UPLC^® HDMS^E raw data is achieved for peak detection, and peak picking using SimLipid.
4. High throughput lipid structural identification using exact mass, and product ions.
5. Automated annotation of MS/MS spectra with IDed lipids, and their fragments.