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LC-MS and LC- MS/MS Data Processing

SimGlycan has an efficient LC-MS and LC-MS/MS data processing algorithm for detecting LC peaks, and subsequent molecular feature finding from the raw data. The algorithm accurately detects LC-compounds along with their isotope envelopes enabling the program to accurately assign precursor m/z values, charge states for MS/MS scans. The algorithm also allows you to submit a preferred mass list for peak detection and picking. This functionality significantly reduces the likelihood of LC-peaks not being detected for low abundant compounds in complex biological samples.

Key Features:

1. Peak detection for all major mass spec manufacturing vendors' native data files

2. Automatic Smoothing and Chromatogram deconvolution

3. Identification of isotope envelopes

4. Accurate assignment of precursor m/z and charge states for MS/MS spectra

5. View and export the Extracted Ion Chromatogram

6. Easy export of the candidate peaklist in Microsoft Excel format