The 1D 1H NMR spectra of e-liquids
Description
NMR analysis of 25 e-liquid samples from Malaysia. A Folder which contains all data associated with each experiment was generated. The User can open, for each experiment, the Free Induction Decay (fid) or the processed raw spectra (1r). Files : - 1H_NMR_DMSO directory : data collection for the 27 samples analyzed in DMSO-d6 solvent. - 1H_NMR_MeOD directory : data collection for the 27 samples analyzed in MeOD solvent. - NMR_sample List.xlsx : List of samples and associated experiment numbers by analyzed solvents
Files
Steps to reproduce
Samples preparation : 200 µl of each e-liquid withdrawn with a glass precision syringe were diluted with 400 µl of methanol-d4 (MeOD) and mixed with 30 µl of a TSP solution (10 mM in MeOD) as reference for 1H NMR experiments. A similar protocol was used for sample preparation in DMSO-d6. All samples of e-liquids were analysed in the two solvents. NMR analysis : The NMR raw data were collected on a Bruker Avance NEO 600 spectrometer using the Topspin software 4.0.8. 1D 1H NMR experiments were acquired at 298 K. Acquisition parameters were as follows: acquisition time of 4.58 s with 64 K data points, relaxation delay of 2 s, number of scans of 32 and spectral width of 12 ppm; the recording time was thus ca. 3.5 min. Data were processed with one level of zero-filling and Fourier transformation after multiplying FIDs by an exponential line-broadening function of 0.3 Hz. Phase adjustment and polynomial baseline correction were done manually on each spectrum. The signal of TSP set at 0 ppm was used as an internal reference for chemical shift measurement. NMR data can be opened with any NMR software (e.g., Topspin, Mnova, etc.)