MS library search (Data Analysis)
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MS library search

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.

  • To be able to carry out the procedure as described, you need the privilege Processing Method > Edit MS library search parameters. To create a new processing method, you need the privilege Project Management > Edit content of project. Privileges are configured in the Control Panel.

  • 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 an MS processing method (method configuration MS).

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

  3. Select the Automatically Search TIC peaks check box.

    4. 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.

    5. Ensure that the NIST version used in your method matches the NIST version installed on your system.

    If your method uses a NIST version that is not installed, 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.

    7. 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.

    9. The MS Lib Search Results window shows matches found in the searched library. Click on a TIC 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 for the integrated peaks are shown. You can compare them with the reference spectra in the library search results. If you select a spectrum, the corresponding peak will be shown in the MS Lib Search Results window.

PVCS#B-12040

See Also