Data from "DECODE - Development of a Multi-Analytical Strategy for the Biocodicological Study of Parchment Degradation"

Context and methodology

• This dataset is part of the PhD thesis "DECODE - Development of a Multi-Analytical Strategy for the Biocodicological Study of Parchment Degradation" by Antonia Malissa 
• The dataset includes three supplementary data files (xlsx) (Supplementary Information 1-3) related to the unpublished manuscript: "Studying Light- and SO2-Induced Collagen and Lipid Changes in Parchment by Multimodal Imaging Using MALDI MSI, ATR/FTIR and Raman Imaging" (Publication III of the PhD thesis)
• The datasets result from MALDI MSI analyses performed on artificially aged sheep parchment samples targeting  proteins (Supplementary Information 1 and 3) and lipids (Supplementary Information 2). 
  • Supplementary Information 1 includes all peptide assignments following proteolytic on-tissue digestion of parchment cross-sections with trypsin/LysC and COLase III. 
  • Supplementary Information 2 summarizes all lipid assignments following MALDI MSI analyses of parchment cross-sections in positive and negative ion mode. Lipids were tentatively assigned by comparison with LIPID MAPS. 
  • Supplementary Information 3 summarizes all peptides (trypsin/LysC- and COLase III-derived) that were NOT observed after artificial aging (referred to as "lost") or ONLY observed after artificial aging (referred to as "new"). 

Technical details

• Supplementary Information 1 is an Excel spreadsheet consisting of ten individual tables (Table S1-S10). It summarizes: 
  • measured and theoretical m/z-values
  • mass error between measured and theoretical m/z-values (in ppm)
  • peptide assignment
  • peptide sequence
  • adduct type (H, Na, K)
  • overview, if peptide was assigned by theoretical in-silico digest (Expasy), in-solution digestion, or on-tissue digestion
  • results of the Mascot database search: score and threshold
  • results of NCBI protein BLAST (including E-value and peptide uniqueness) 
  • and the protein accession number.

• Supplementary Information 2 is an Excel spreadsheet consisting of ten individual tables (Table S11-S20). It summarizes: 
  • measured and theoretical m/z-values
  • mass error between measured and theoretical m/z-values (in ppm)
  • assigned ion species, e.g., [M+H]+
  • and the lipid name based on tentative assignments by LIPID MAPS.

• Supplementary Information 3 is an Excel spreadsheet consisting of 16 individual tables (Table S21-S36). It summarizes: 
  • measured and theoretical m/z-values
  • mass error between measured and theoretical m/z-values (in ppm)
  • peptide assignment and sequence 
  • in case of peptides, only observed after artificial aging, it further contains a calculation of potential additional modifications, e.g. deamidation, SO2-adducts, etc.) and the respective theoretical m/z-values of corresponding unmodified peptides.