Delta Tips: Peak Assignment Function

Delta software has a peak assignment function by using structural formula. In the example below, a triplet signal at 4.20 ppm is assigned to methylene protons H12 of CAHE (Cinnamic Acid cis-3-Hexen-1-yl Ester). Refer to NMDT_0057 on the use of Molecule Editor.

Triplet at 4.20 ppm is assigned to methylene protons H12 of CAHE.

① Open data in the Data Slate window and push the Create peak button.
Note that the cursor has changed into the peak symbol.
② Select the peak which you wish to assign. It is the triplet at 4.20 ppm in the example.
Note that a peak mark and chemical shift have been displayed above the selected peak.

※ You can also use the peak assignment function in the 1D Processor window.

③ Push the Create Molecule Window button and create a box in the Data Slate window. Note that the cursor has changed into the Molecule symbol. After the box has been created by Drag & Drop, the Select Molecule File window opens automatically.

④ Select a file in the Select Molecule File window and push the Open button.
Note that the selected structural formula has been displayed in the box.

※ You can select files in the molfile format in Select Molecule File window.

⑤ Push and hold the [Ctrl] key to select an atom (group). Note that the cursor has changed into the Select symbol. Select the atom which you wish to assign to the peak in the Data Slate window. The selected atom is represented by an open circle.

⑥ Push and hold the [Shift] and [Ctrl] keys. Note that the cursor has changed into the Select symbol. Select the peak which you wish to assign to the atom (group) in the structural formula.
⑦ Push and hold the [K (Key)] button to display the pull-down menu.
⑧ Select Attach to X. The selected atom (group) has been assigned to the peak.