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Data analysis software version 4.3

Manufactured by Bruker

Data Analysis software (Version 4.3) is a comprehensive data processing and visualization tool. It provides advanced features for data analysis, signal processing, and graphical representation of experimental results.

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2 protocols using data analysis software version 4.3

1

NMR and Mass Spectrometry Characterization

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Deuterated solvents were purchased from Admas and J&K scientific. 1D and 2D NMR spectra were measured on a Bruker-BioSpin AVANCE III HD (400 MHz) spectrometer. 1H NMR chemical shifts were determined with respect to residual solvent signals of the deuterated solvents used. 1H NMR integrations were performed using TOPSPIN 2.1 software. ESI-TOF-MS were recorded on an Impact II UHR-TOF mass spectrometry from Bruker, with ESI-L low concentration tuning mix (from Agilent Technologies) as the internal standard (Accuracy < 3 ppm). Data analyses and simulations of ESI-TOF-MS were processed with the Bruker Data Analysis software (Version 4.3). ICP-MS analysis was performed on a Thermo Finnigan high-resolution magnetic sector Element 2 ICP-MS instrument. Unless otherwise stated, all chemicals and solvents were purchased from commercial companies and used without further purification.
Caution! Perchlorate salts are potentially explosive and should be handled carefully in small quantities.
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2

Top-down Data Analysis of mRIPK3

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The MS and MS/MS spectra were analyzed using a dedicated top-down data analysis procedure. Briefly, precursor and product ion mass spectra were summed over the infusion time in each MS and MS/MS experiment with Data Analysis software version 4.3 (Bruker Daltonics). Automatic data analysis was performed by deisotoping keeping only the monoisotopic masses followed by charge state deconvolution (SNAP 2 algorithm). The obtained mass list of product ions was matched on the predicted cleaved mRIPK3 sequence to determine the product ion identity and the sequence coverage using the observed mass of the precursor ion.
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