NMR data from intracellular metabolites of S. cerevisae cells

#NMR methods: Dried samples were dissolved in: 600 µL phosphate buffer in D2O (80 mM, pH 7.0) with 2 mM of sodium azide and 0.16 mM of 3-(trimethylsilyl)propionic-2,2,3,3-d4 (TSP), the suspensions were centrifuged at 21 000 g for 5 min at 4ºC and transferred to 5 mm NMR tubes. NMR spectra were acquired on a Bruker Avance II+ 800 MHz spectrometer equipped with a 5 mm TCI H&F/C/N/-D cryoprobe. All 1D 1H were acquired at 298.15 K and using a noesygppr1d pulse program (128 scans, relaxation delay of 4 s, mixing time of 10 ms, spectral width of 20.0237 ppm, 128k points of free induction decay (FID). Processing of spectra was performed with Bruker TopSpin 3.6.2. All FID were multiplied by an exponential function, followed by Fourier Transformation. Spectra were manually phased and baseline corrected. Chemical shifts were adjusted according to the TSP chemical shift at 0.00 ppm. To spectral assignment, 2D NMR spectra were acquired for some samples: 1H-1H TOCSY, 1H-13C HSQC and 1H J-resolved. Metabolite identification and quantification were performed recurring to ChenomxNMRsuite8.12. In some cases, two-dimensional NMR spectra were used to confirm metabolite identification.

#12 spectras: Amostra Group A1 A A2 A A3 A E1 E E2 E E3 E E1G EG E2G EG E3G EG G1 G G2 G G3 G