Correlations among the Raman spectra and the conformational compositions of ethylene glycol, 1,2- and 1,3-propylene glycols
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2021.130847
Abstract: Abstract Raman spectra of liquid ethylene glycol (EG), 1,2-propylene glycol (1,2-PG) and 1,3-propylene glycol (1,3-PG) were analyzed in terms of the conformational composition of the molecules. The analysis was based on comparison of the experimental… read more here.
Keywords: conformations molecule; raman spectra; glycol propylene; ethylene glycol ... See more keywords
Augmentation of MS/MS Libraries with Spectral Interpolation for Improved Identification
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Chemical Information and Modeling"
DOI: 10.1021/acs.jcim.2c00620
Abstract: Tandem mass spectrometry (MS/MS) is a primary tool for the identification of small molecules and metabolites where resultant spectra are most commonly identified by matching them with spectra in MS/MS reference libraries. The high degree… read more here.
Keywords: reference libraries; identification; experimental spectra; interpolated spectra ... See more keywords