GlycanGUI

GlycanGUI automates glycan annotation and quantification by computing the Glucose Unit Index (GUI) from a dextrin ladder to calibrate LC-MS retention times.

Key Features:

• Glucose Unit Index (GUI) computation: Calculates GUI values from dextrin ladder retention data for standardized retention metrics.
• Dextrin ladder internal standard: Uses a dextrin ladder as an internal standard to derive glucose unit references.
• Retention time calibration: Calibrates glycan retention times to glucose units to normalize retention variability.
• Glycan annotation: Assigns glycan identities using retention times calibrated to GUI.
• Glycan quantification: Provides quantitative reporting of glycans based on GUI-calibrated retention data.
• Correction for LC–MS variability: Accounts for experimental variation arising from column types, MS instruments, and buffer compositions to facilitate comparison across setups.
• Automated calibration and reporting: Automates calibration of retention times against glucose units and outputs GUI values for LC-MS datasets.
• Performance versus manual methods: Produces GUI values with reported high accuracy when compared to manual calibration methods.

Scientific Applications:

• LC-MS glycomics analysis: Standardizes retention times for annotation and quantification in LC-MS glycomics datasets.
• Inter-laboratory comparison: Enables comparison of glycan retention and measurements across different laboratories and instrument setups.
• Method development and validation: Serves for validating GUI-based calibration approaches in experimental workflows.
• Comparative studies of experimental conditions: Supports analyses of how column types, MS instruments, and buffer compositions affect glycan retention.

Methodology:

Compute GUI from a dextrin ladder as an internal standard, calibrate glycan retention times to glucose units, automate the calibration process, and report GUI values for LC-MS data.