How to import CCS from Excel spreadsheet to waters_connect Scientific Library - WKB293195

OBJECTIVE or GOAL

Import collisional cross section from Excel spreadsheet to waters_connect Scientific Library.

ENVIRONMENT

• waters_connect 3.1
• UNIFI

PROCEDURE

1. Find the required formatting to import compounds with associated CCS values to the waters_connect Scientific Library SciLib_import.xlsx.
2. The .mol files to be imported (if present) must be placed in the same folder as the Excel spreadsheet Sulfadimethoxine.mol.
3. At waters_connect > Administration > Scientific Library > Import library items, select "Type of import > Spreadsheet file (Tof Screening format)".
   • Set the Detection results to ESI+ or ESI- according to what you want to import.

Example of the Excel spreadsheet formatting:

Be sure to type an apostrophe (') in front of the adduct and charge in the Excel file (i.e., '+H ; '+1 ). Otherwise, Excel will not display the + sign.

It is a must to set the "Detail type" should be set to "HD MSe" as shown in above table.

ADDITIONAL INFORMATION