MALDI-TOF-MS spectra for "Validation of a MALDI intact cell mass spectrometry workflow for routine application in monitoring industrial E. coli fermentations"

Context and methodology

• Research domain: Process Analytical Technologies, applications of MALDI-TOF on monitoring/development of bioprocesses
• Dataset was obtained via MALDI-TOF-MS (UltrafleXtreme, Bruker) analysis of intact E.coli from fermentation samples.

Technical details

• Dataset structure:
  1. Main dataset with 4 separate fermentations and 11 timepoints each (44 samples). Each sample has 8 technical replicates.
  2. Sample preparation optimization spectra, reference to figures is given in the subfolders name:
     • Fig. 2
       • A) acetonitrile optimization (30,50,70 % acetonitrile in matrix solvent; 8 technical replicates)
       • B) example spectra from optimized workflow
     • Fig. 5
       • Freeze-thaw influence experiment. Four fermentation samples were subjected to up to five freeze-twaw (FT) cycles. (8 technical replicates)
     • Suppl. Info.
       • Fig. S2.A: matrix:sample ratio spectra (1:1, 1:2, 2:1, 3:2; 8 technical replicates)
       • Fig. S2.B: influence of optical density (OD) on spectra (OD 3.5−12; 8 technical replicates)
       • Fig. S8: sample with spiked product (1 pmol)
  3. Intensity matrix generated after processing the MALDI-TOF-MS spectra
• the spectra are unprocessed
• FlexAnalysis (Bruker) or other tools (R, MALDIquant package) may be needed to inspect the data