![]() ![]() MestReNova calls these 1D spectra Traces. For a heteronuclear inverse (HSQC or HMBC) spectrum, you will want a 1H spectrum in the F2 dimension and a 13C spectrum for the F1 dimension. For a homonuclear (COSY, ROESY, NOESY, TOCSY) spectrum you will want a 1H spectrum in both dimensions. It is very important to Reference the 1D specta before using them as traces. ![]() Reference the 1H spectrum using TMS or the residual solvent (CHCl3, d5-DMSO, etc.) peak, and reference the 13C spectrum using the solvent peak (CDCl3, d6-DMSO, etc.).ĥ. For HSQC, this is phase-sensitive data, meaning that positive crosspeaks (red) are for CH and CH3 groups and negative crosspeaks (blue) are for CH2 groups. ![]() You will need to PHASE CORRECT the data to get these right. Be careful to make minimal changes to phase parameters because you can change the meaning (positive or negative) of the data by making big changes in the phase correction parameters. ROESY and NOESY are also phase sensitive (positive diagonal peaks and negative NOE crosspeaks) as is TOCSY (positive diagonal peaks and positive crosspeaks). COSY is phase sensitive but you don’t need to correct the phase – just deal with the crosspeaks as “blobs” – unless you want to analyze the fine structure to measure J values. Phase errors appear as streaks coming out of a crosspeak.
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