Pseudo-3D HSQC0, a method to create a true 2D HSQC0-plane. Application to softwood extract analysis

This is the authors' abstract. We don't add key points for this paper.

• Pseudo-3D HSQC 0 . • 3D-variant of classic HSQC 0 -method. • Quantitative 2D HSQC 0 computed using backward linear prediction. • Direct 2D integration of the created HSQC 0 spectrum for quantification. • Interleaved acquisition of HSQC 1 , HSQC 2 and HSQC 3 planes. Pseudo-3D HSQC 0 provides an alternative and easy way to record and analyze quantitative HSQC 0 -data. In the original time-zero extrapolated 1 H– 13 C HSQC (HSQC 0 ), three separate 2D constant-time (CT) HSQC-experiments (HSQC i , i = 1–3) are acquired, where either 1,2 or 3 consecutive CT-HSQC-propagators are repeated in each pulse sequence, and the 2D integral data from the three 2D experiments is analyzed via linear regression. In the presented pseudo-3D HSQC 0 , HSQC i is one of the dimensions and all data is contained within one dataset, which is recorded in interleaved manner by acquiring the same t 1 -value for each HSQC i -point before t 1 -incrementation. The 3D-nature of the data allows the utilization of backward linear prediction to calculate an actual time-zero 2D HSQC 0 spectrum, which can be analyzed using normal 2D integration procedures for quantitative results. In all, the pseudo-3D enables straightforward, intuitive and easy analysis of the quantitative 2D HSQC 0 spectrum/plane. As the recorded pseudo 3D data contains the normal HSQC i planes, also the classic linear regression analysis can be applied.