Surface fitting for calculating the second dimension retention index in comprehensive two-dimensional gas chromatography mass spectrometry.

ABSTRACT: Comprehensive two-dimensional gas chromatography mass spectrometry (GC × GC-MS) has been widely used for analysis of volatile compounds. However, the second dimension retention index (I) of each compound is not widely used to aid compound identification owing to the limited accuracy of I calculation. We report a surface fitting approach to the calculation of I using n-alkanes (C₇-C₃₀) as references, where the second dimension retention time (²t_R) and the second dimension column temperature (²T_e) formed the X-Y plane and the I was the Z-axis to form the I surface. Compared to the conventional approach for calculating I using isovolatility curves, the surface fitting approach eliminated the construction of isovolatility curves

SUBMITTER: Prodhan MAI 

PROVIDER: S-EPMC5826898 | biostudies-literature | 2018 Mar

REPOSITORIES: biostudies-literature