TY - JOUR
T1 - GlycanGUI
T2 - Automated Glycan Annotation and Quantification Using Glucose Unit Index
AU - Zhang, Rui
AU - Peng, Wenjing
AU - Gautam, Sakshi
AU - Huang, Yifan
AU - Mechref, Yehia
AU - Tang, Haixu
N1 - Publisher Copyright:
© Copyright © 2021 Zhang, Peng, Gautam, Huang, Mechref and Tang.
PY - 2021/6/15
Y1 - 2021/6/15
N2 - The retention time provides critical information for glycan annotation and quantification from the Liquid Chromatography Mass Spectrometry (LC-MS) data. However, the variation of the precise retention time of glycans is highly dependent on the experimental conditions such as the specific separating columns, MS instruments and/or the buffer used. This variation hampers the exploitation of retention time for the glycan annotation from LC-MS data, especially when inter-laboratory data are compared. To incorporate the retention time of glycan across experiments, Glucose Unit Index (GUI) can be computed using the dextrin ladder as internal standard. The retention time of glycans are then calibrated with respect to glucose units derived from dextrin ladders. Despite the successful application of the GUI approach, the manual calibration process is quite tedious and often error prone. In this work, we present a standalone software tool GlycanGUI, with a graphic user interface to automatically carry out the GUI-based glycan annotation/quantification and subsequent data analysis. When tested on experimental data, GlycanGUI reported accurate GUI values compared with manual calibration, and thus is ready to be used for automated glycan annotation and quantification using GUI.
AB - The retention time provides critical information for glycan annotation and quantification from the Liquid Chromatography Mass Spectrometry (LC-MS) data. However, the variation of the precise retention time of glycans is highly dependent on the experimental conditions such as the specific separating columns, MS instruments and/or the buffer used. This variation hampers the exploitation of retention time for the glycan annotation from LC-MS data, especially when inter-laboratory data are compared. To incorporate the retention time of glycan across experiments, Glucose Unit Index (GUI) can be computed using the dextrin ladder as internal standard. The retention time of glycans are then calibrated with respect to glucose units derived from dextrin ladders. Despite the successful application of the GUI approach, the manual calibration process is quite tedious and often error prone. In this work, we present a standalone software tool GlycanGUI, with a graphic user interface to automatically carry out the GUI-based glycan annotation/quantification and subsequent data analysis. When tested on experimental data, GlycanGUI reported accurate GUI values compared with manual calibration, and thus is ready to be used for automated glycan annotation and quantification using GUI.
KW - GUI
KW - annotation
KW - glycan
KW - mass spectrometry
KW - quantification
UR - http://www.scopus.com/inward/record.url?scp=85109037618&partnerID=8YFLogxK
U2 - 10.3389/fchem.2021.707382
DO - 10.3389/fchem.2021.707382
M3 - Article
AN - SCOPUS:85109037618
SN - 2296-2646
VL - 9
JO - Frontiers in Chemistry
JF - Frontiers in Chemistry
M1 - 707382
ER -