Get Empowered: Review Window and the Processing Method | Tip #117, ACQUITY QDa MS Data

By April 17, 2019


Tip #117: Working with ACQUITY QDa MS data in Empower Software (Part 17)

Welcome back to Get Empowered! In the last Empower tip-of-the-week post for Empower Chromatography Data Software, we learned how to do Component-based Expected Mass Processing (Tip #116).

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 ACQUITY 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
  • #112: How to create a MS Spectra Library from data collected with the ACQUITY QDa mass detector
  • #113: How to use a MS Spectra Library to identify spectra from unknown peaks via the manual technique
  • #114: How to use a MS Spectra Library to identify spectra from unknown peaks via the automated technique
  • #115: How to display MS spectra from a particular MS scan along with UV spectra in the Mass Analysis window
  • #116: How to do Component-based Expected Mass Processing

In this week’s tip, we will learn another way to determine if a specified mass exists in a sample and explore ‘Injection-based’ Expected Mass Processing.

There are advantages to Injection-based Expected Mass Processing: 1) you do not need to identify peaks in the Processing Method and 2) you can search for masses that account for ‘adducts’ resulting from sample matrix interactions.

Let’s get started.

Step 1

Right click on the Sample Set and bring it to Alter Sample. Enter the expected mass or masses in the Target Mass field(s) (figure 1). (Alternatively, you could do this in Run Samples before you acquire the data)

Empower Tips: Enter the expected mass or masses in the Target Mass field | Figure 1

Figure 1

Step 2

Create a simple Processing Method for peak detection and integration. On the MS Expected Mass tab, click the radio button for ‘Injection-based Processing’. Check the box that reads, ‘Include the uncorrected Target or Base Mass’ in the list of expected masses. If you do not make this selection, you will need to specify at least one adduct. To specify an adduct, select the ionization mode that has the adduct and enter mass. (Refer to Tip #116 for Peak Separation description) (figure 2).

Empower Tips: Click the radio button for ‘Injection-based Processing’ | Figure 2

Figure 2

Step 3

In the Method Set, add the Default Processing Method and click the ‘Expected Mass Processing’ button at the bottom of the window (figure 3).

Empower Tips: click the ‘Expected Mass Processing’ button | Figure 3

Figure 3

Step 4

Select the ‘3D MS channel’ in the Channel Name field and the Processing Method, then click ‘OK’ (figure 4).

Empower Tips: Select the '3D MS channel' | Figure 4

Figure 4

Step 5

Process the 3D MS channel using the Method Set and go to the Results tab (figure 5).

Empower Tips: Process the 3D MS channel | Figure 5

Figure 5

Step 6

Bring the new Results into Review. Label the peaks with Base Peak to compare the ‘mass found’ versus the ‘Target Mass’ which is found in the Channel Description (figure 6).

Empower Tips: Compare the ‘mass found’ versus the ‘Target Mass | Figure 6

Figure 6

 

It’s that easy!

Final notes:

  • There is no need to enable 3D MS Channel Processing on the MS 3D channel tab in the processing method.
  • This procedure can be followed using the QuickStart or Pro interface.
  • ACQUITY QDa Mass Detector is compatible with the Alliance HPLC system.

 

Please rate this Empower Tip of the Week


Next week in Empower Tip #118– We will continue this series on working with ACQUITY QDa MS data in Empower (Part 18).

 

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