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Data Analysis:
The MS and MS/MS spectra … Data Analysis:
The MS and MS/MS spectra were recorded using Hyster 3.0 (Bruker Daltonik GmbH), and the data were processed using DataAnalysis 4.0 (Bruker Daltonik GmbH). After noise reduction (<100000 counts), a list containing 4693 chromatographic ions was generated using the netCDF of the spectra with the appropriate software, which will be publicly available after reaching the final step. Peak picking was performed using the theoretical mass difference (1.99579 ± 0.001 Da) between 32S-monoisotopic ions and their 34S-substituted counterparts, narrowing the list to 67 S-monoisotopic ions. The elemental composition and theoretical ion patterns were calculated using SmartFormula and SmartFormula 3D with the following limiting conditions: < 1 ppm; C0-50H0-100N0-5O0-50S0-5; charge, 1.
Data Upload:
All data acquired by LC-FTICR-MS were uploaded at DROP Met in PRIMe (http://prime.psc.riken.jp/) and are freely available. e.psc.riken.jp/) and are freely available.
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