An MSP file includes the deconvoluted spectrum for each exported compound. You can import and edit the content of an MSP file in the NIST MS Search application.

Prerequisites

  1. You are viewing the Pesticides with ID.cdResult file.

Procedure

  1. Filter the GC CI Compounds table to display only compounds of interest or select the checkboxes in the Checked column for the compounds of interest.
  2. Right-click the GC CI Compounds table and select Export > As NIST MSP File.
  3. The Export to NIST Formatted File dialog box opens.
  4. The Include Synonyms checkbox is unavailable for GC CI data.
  6. If you do not modify any of the parameter settings in this dialog box, the application exports the visible table rows to an MSP file with the same name as the result file and stores the MSP file in the study folder.
  7. Select the browse icon to the right of the File Name box. Then, in the Export to NIST MSP dialog box, browse to and select the folder where you want to store the NIST MSP file, name the file, and select Save.
  8. In the Options area, do one of the following:
  9. If you filtered the GC CI Compounds table as described in Filter the data to reduce the number of compounds to report, do not select the Checked items Only checkbox.
  10. If you did not filter the GC CI Compounds table, but you did select compounds in the GC CI Compounds table (by selecting their check boxes in the Checked column), select the Checked Items Only checkbox.
  11. (Optional) In the Annotations area of the Export to NIST Formatted File dialog box, do the following if you want to add annotations to the exported compounds:
  12. Select the Annotate Items checkbox.
  13. Enter the annotations.
  14. Enter the name of the contributor in the Contributor box.
  15. In addition, enter the names, titles, and other information in the Name and Value boxes as appropriate.
  16. Enter comments in the Comments box as appropriate.
  17. Select Export.
  18. At the NIST Export prompt, do the following:
  19. Review the file name of the MSP file, its directory folder, and the number of compounds to be exported.
  20. Select OK.