Database for accurate EI-MS spectra for volatile compounds identified in e-liquids for e-cigarettes

Database of accurate EI-MS spectra, recorded using a GC-EI-TOF-MS instrument, for volatile and semi-volatile compounds tentatively identified in diluted e-liquids for e-smoking. Tentative identifications were based on normalized spectral matches above 75 (0-100 scale) with the low resolution NIST17 database, linear retention index differences between 50 units compared to literature values for semipolar (HP5-type) and Carbowax columns, and mass errors lower than 50 ppm for a minimum of two relevant ions in the spectra of each compound.

The database can be used in combination with Library Editor software, included in MassHunter software. Experimental spectra were obtained after spectral deconvolution of GC-MS records for 1:100 diluted commercially available e-liquids