MS library search

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• OpenLab CDS: Method Development > Edit MS library search parameters

• Project Management > Edit content of project
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Prerequisites

• You have installed NIST MS Search and the required MS libraries, or created the required user libraries in the NIST MS Search Program. NIST software can be acquired from Agilent.

• One Library license is required per OpenLab CDS workstation, AIC or client that will be performing MS library searching. NIST license is required on an Agilent Instrument Controller (AIC) if doing automatic data processing on an instrument connected to that AIC.

• If the project enforces method approval, the method status must be Generic. For details, see Method approval.

Search automatically during reprocessing

1. Load your MS data, and load or create a processing method that supports MS library search (see method configurations).

2. In the Processing Method window, select the Spectral Analysis > MS Library Search node.

3. Select the Automatically Search TIC peaks check box.

   With this function, all integrated TIC peaks will be searched; the extracted spectra will be added to the list of signals for each injection in the injection tree

4. Select a library from the MS Library drop-down list, and click to add the library to your processing method. You can add up to ten MS libraries to the processing method.

   NOTE

   Ensure that the NIST path used in your method matches the NIST path installed on your system (for example, C:\​NIST17\​MSSEARCH versus C:\​NIST23\​MSSEARCH).

   If your method expects a NIST library in a non-existing path, the library search will return no results.

5. Adjust the MS library search parameters as required.

6. In the Extraction > Spectrum node of the processing method, adjust the background subtraction as required.

   With library search, spectra are always extracted, independent of the Extract spectra from integrated peaks on reprocessing check box.

7. Link the processing method to your injection, and reprocess the data.

8. In the Chromatograms or Results layout, open the MS Lib Search Results window.

   The MS Lib Search Results window shows matches found in the searched library. Click on a peak to select the corresponding results. In the right half of the window, the reference spectrum of the selected library search result is shown.

   In the MS Spectrum window, the extracted spectra are shown. You can compare them with the reference spectra in the library search results. If you select a spectrum, the corresponding library search results will be shown in the MS Lib Search Results window.