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Release Notes

July 23, 2018. InterSpin update.
InterAnalysis was completely implemented and connected to the SpinLIMS database to run within InterSpin.

About InterAnalysis

InterAnalysis is a Venn diagram-type annotation tool that simultaneously searches two kinds of correlation peak, 1H-13C HSQC and 2D-Jres, to narrow down candidate molecules.

We demonstrated the application of InterAnalysis to HSQC and 2D Jres peaks from Acanthogobius flabimanus body muscle extracts in MeOD. For data acquired in MeOD extract, SpinAssign and SpinCouple assigned 223 and 107 molecules. By contrast, InterAnalysis assigned 25 molecules, narrowing down the molecules to 11% and 23%, respectively.

Figure : Result of InterAnalysis for 1H-13C HSQC and 1H-J 2D Jres peaks from Acanthogobius flabimanus body muscle extract in MeOD. Summary shows the number of query peaks, the number of assigned molecules, and the narrowed down set of molecules. The table shows some of the molecular assignment results for each query peak.