Build a custom MS library (Data Analysis)
Click here to see this page in full context


Build a custom MS library

Prerequisites

  • To be able to carry out the procedure as described, you need the privilege Project Management > Edit content of project. Privileges are configured in the Control Panel.

  • You have installed the NIST MS Search program.

  • The MS spectrum is available in centroid mode.

  1. Load MS data.

  2. Create an MS processing method, and link it to your injection.

  3. Extract the relevant MS spectrum.

  4. In the MS Spectrum window, right-click an MS ion peak, then select Send spectrum to NIST MS program.

    5. The NIST MS Search program opens, showing the new MS spectrum. Use the Librarian tab to review the spectrum and add information such as compound name, chemical formula, CAS number; then put the new spectrum in your user library.