Posted on July 13th, 2017
Ok, so its not a LEGO GC-MS, but those of you that read my blog post last month will be pleased to know that the technical note on incorporating retention index results in deconvoluted GC/MS library search data has now been published.
Chris Sandy (Sandcastle Consulting Ltd) has worked with Ian Butler and Rosa Sullivan at Synergy Flavours to produce this workflow using real data.
Using MassHunter Quantitative Analysis and Unknown Analysis programs together, full scan data GC/MS files can be used to create user libraries of deconvoluted mass spectra that include both retention time and linear retention index.
Along with commercially available libraries, user libraries can be searched in order to help with identification of components of complex flavour and fragrance mixes. The use of Linear retention indices can prove invaluable in the correct assignment of peaks, in particular for compounds such as Terpenes – some of which can have almost identical mass spectra.
You can find a copy of the technical note here.