Get Empowered: Review Window and the Processing Method | Tip #112, ACQUITY QDa MS Data

By March 13, 2019


Tip #112: Working with ACQUITY QDa MS data in Empower Software (Part 12)

Welcome back to Get Empowered! In the last Empower tip-of-the-week post for Empower Chromatography Data Software, we learned about using MS 3D subtraction to remove background interference. (Tip #111).

Working with ACQUITY QDa MS data in Empower:

  • #100: How to view the base mass and mass spectra for the peaks in a chromatogram
  • #101: How to work with 2D ACQUITY QDa MS data
  • #103: Viewing different spectral views in the Mass Analysis window
  • #104: Extracting chromatograms and spectra while working in the Mass Analysis window
  • #105: Why it is important to align chromatograms when collecting data from both a PDA and a QDa mass detector
  • #106: How to optimize sensitivity by extracting a single mass rather than working with a TIC plot
  • #107: How to smooth the chromatogram using the Processing Method
  • #108: How to smooth the chromatogram using a Derived Channel in the Method Set
  • #109: How to track peaks using the ACQUITY QDa mass detector
  • #110: Using CODA (component detection algorithm) as a tool when scouting for peaks
  • #111: Using MS 3D subtraction to remove background interference

This week, we will kick-off a multi-part discussion on creating and using MS Spectral Libraries.

Part 1: Learning how to create a MS Spectral Library.

Spectral Libraries can be helpful in identifying peaks in sample chromatograms by taking the apex spectrum from a peak and comparing it to spectra of known compounds. We begin by creating the Library.

Let’s get started.

Step 1

Start by bringing data with the known compounds into Review. Once the Method Set has been opened and applied, select ‘New Library’ from the Library menu. Enter a name for the ‘New Library’ and click ‘Create’ (figure 1).

Empower Tips: Create a name for the New Library | Figure 1

Figure 1

Step 2

First, deselect any spectra you do not want added to the Library using the ‘Select’ field in the Spectra table, thus leaving the spectra you do want to add to the Library. Select ‘Add to Library’ from the Library menu (Note: name of Library from Step 1 should appear) (figure 2).

Empower Tips: deselect and select spectra for the Library | Figure 2

Figure 2

Step 3

Enter a name and any descriptive information and click ‘OK’ (figure 3).

Empower Tips: Enter a name and info | Figure 3

Figure 3

Step 4

Once you have added all the spectra from the channels of data to the Library, you can add ‘Name’ and ‘Library Name’ to your Spectra table. This makes it easy to distinguish between Library spectra and spectra from peaks in chromatograms (figure 4).

Empower Tips: Add name’ and Library name to your Spectra table | Figure 4

Figure 4

Step 5

You can modify the name of a spectrum in the Name field. Press enter and you will see a warning message, click ‘OK’ (figure 5).

Empower Tips: Modify the name of a spectrum in the name field | Figure 5

Figure 5

Step 6

Libraries live outside of the project in Configuration Manager. Therefore, when you back up your project you need to back up the Library separately. This is very easy to do: Go to the Configuration Manager and click ‘Libraries’ in the tree on the left. Click and drag your Library to ‘External Media’ (figure 6). If the Library is deleted from Empower, you can click and drag it back. The same applies to PDA Libraries.

Empower Tips: Click and drag your Library to External Media | Figure 6

Figure 6

 

It’s that easy!

Final notes:

  • This procedure can be followed using the QuickStart or Pro interface.
  • ACQUITY QDa Mass Detector is compatible with the Alliance HPLC system.

 

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Next week in Empower Tip #113– We will continue this series on working with ACQUITY QDa MS data in Empower (Part 13).

 

 

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Categories: Empower Tips