Data for: Quantitative LC-MS intact proteoform profiling of reduced wheat gluten

Published: 10 November 2023| Version 2 | DOI: 10.17632/hw4r49n435.2
Ray Bacala, Helene Perreault, Bin Xiao Fu, Dave W Hatcher


Intact proteoform profiling of glutenin fractions from two Canadian breadwheat varieties and 28 F5 crosses. Masses range from 18-88 kDa were deconvolved using MaxEnt1 deconvolution from non-monoisotopically resolved data. Proteoform abundances were expressed as MaxEnt1 peak areas using a custom algorithm. Proteoforms were grouped within samples (WSG) to eliminate artifacts and proteoforms occurring in adjacent deconvolution windows. A similar grouping algorithm (ASG) was used to provide common proteoform numbers (ASG numbers) across each sample set. Control sample data from each set were extracted and compared pair-wise to a common set (set 1) to obtain linear regression coefficients to correct retention time and abundance shifts between sample sets (CHKNorm procedure). These coefficients were then used to correct sample set data to render them comparable. Proteoform abundances were not retained unless detected in both replicates for that sample. A 20% RSD threshold (replicate abundances) was calculated from replicate variability across the data set and candidate proteoforms not present in at least one sample above this threshold (4.3 million counts) were eliminated from the final dataset.



Mass Spectrometry, Wheat, Molecular Profiling, Proteomics Experimental Approach