Metabolites shifted in Quest/Aqses

[Gena Markous]

I created a metabolite list using NMR Scope-B and when I load my metabolite list in the 1D mode, the metabolites are in the proper, expected location (in terms of ppm). However, when I move on to Quest or Aqses to quantify & fit these metabolites to my experimental spectrum, the metabolites are no longer in their proper location. I tried to phase and made sure the transmitter frequency of the metabolite list and my spectrum match. Not sure what else to try.

Also, I thought that Quest is able to automatically fit the metabolites to my spectrum… is this something that needs to be set? Or will this be fixed if I can solve my above problem?

Thank you,
Gena

[Jana]

After you load the acquired spectra, you should calibrate the frequency axis. To do so, right click a peak of your choice in the spectrum, select “Set reference” and enter the corresponding reference frequency numerically in the dialog box.
Then in QUEST the spectra and the basis set simulated with NMRScope-B should be aligned.

Jana

[Author]

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