To run an analysis that performs a library search of the local NIST libraries, you must add the Search mzVault node to the processing workflow and select the NIST libraries to search.

Procedure

  1. If you do not have a study open, Open an existing study or create a new study.

  2. NOTE

    If you just created a new study and a new analysis by using the New Study and Analysis wizard, the study page includes six tabs and the Input Files page is displayed by default.

  3. Open the Workflows page.
  4. Select a processing workflow for editing.
  5. Drag the Search mzVault node from the Workflow Nodes pane to the Workflow Tree pane on the Workflows page.
  6. The Group Compounds node, the Group Expected Compounds node, or both of these nodes (when the workflow includes both of these nodes) automatically connect to the Search mzVault node.
    The Search mzVault node appears in the Workflow Tree pane. If there are any issues with the node, an exclamation icon appears in the upper-right corner of the node to indicate an issue with the node. The Current Workflow Issues table also opens at the bottom of the Workflows page.
  7. In the Workflow Tree pane, select the Search mzVault node.
  8. The Parameters of Search mzVault pane appears to the left of the Workflow Tree pane.
  9. Default parameter settings for the Search mzVault node
    123
    No.DescriptionNo.Description

    1

    Default parameter settings for the Search mzVault node

    3

    Exclamation icon that indicates missing parameter settings

    2

    Current Workflow Issues table that lists the issues indicated by the exclamation icon

  10. Select the NIST libraries for the mzVault library search as follows:
  11. Select the browse icon to the right of mzVault Library box.
  12. The Select Input Files dialog box opens.
  13. In the Selected column, select the checkboxes to the left of the NIST libraries that you want to search.
  15. Select OK.
  16. The names of the libraries you selected appear in the mzVault Library box.
  17. Change the parameter settings for the Search mzVault node as follows:
  19. For Match Ion Activation Type, select False.
  20. For Match Ion Activation Energy, select Any.
  21. For Match Ionization Method, select False.
  22. For Precursor Mass Tolerance, enter 20 and select ppm.
  23. For Match Analyzer Type, select False.