Leucine and Isoleucine

[rbf...@gmail.com]

Hi - does anyone have (or know how to derive) the j-coupling table for leucine and isoleucine? I was looking on human metabolome database, and while the peak assignments are given in great detail I'm having trouble translating this into a usable CSV for Tarquin.

HMDB.ca: https://hmdb.ca/spectra/nmr_one_d/1477

If anyone has CSV files they've already created, that would be the dream!

All the best,

Rob

[Martin Wilson]

Hi Rob,

Sorry, I'm not aware of any published values for this. You need
chemical shifts and j-couplings derived from data acquired close to
body temp. and neutral pH for them to be useful. Could try asking here
: https://mrshub.org/

Martin

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