Efficient LC-MS Peak Picking and Alignment

GlycanExplorer has a robust and 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. The algorithm helps in accurate assignment of precursor m/z values and the charge states for the MS/MS scans. It also enables 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.

If you have multiple technical replicates of your biological sample(s) of interest, GlycanExplorer allows you to align the detected peaks of a sample across all corresponding technical replicates within a specified m/z and retention time tolerance. This functionality helps you find valid peaks which are universally detected across all replicates and discard inconsistent peaks.

Key Features:

1. A robust peak detection algorithm with editable parameters such as, m/z tolerance, noise reduction, peak width, including a facility to submit your preferred mass list.
2. Automatic smoothing and chromatogram deconvolution.
3. Identification of isotope envelope.
4. Accurate assignment of precursor m/z and charge states for MS/MS spectra.
5. View and export different chromatogram plots (Total ion Chromatogram, Extracted ion Chromatogram, Base Peak Chromatogram).
6. Flexible MS/MS cluster algorithm.
7. Efficient peak alignment using user specified m/z and retention time tolerance.