Get Empowered: Review Window and the Processing Method | Tip #118, ACQUITY QDa MS Data

By April 24, 2019


Tip #118: Working with ACQUITY QDa MS data in Empower Software (Part 18)

Welcome back to Get Empowered! In the last Empower tip-of-the-week post for Empower Chromatography Data Software, we learned how to do Injection-based Expected Mass Processing (Tip #117).

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
  • #117: How to do Injection-based Expected Mass Processing

This week’s tip will kick-off a short blog series around the functions within the Review Main Window which makes working with ACQUITY QDa MS data easier. We will start with the Timed Mass Chromatogram.

In Tip #61, we learned how to derive a Timed Mass Chromatogram, creating a channel that specifies a mass at specified starting times. This maximizes sensitivity and allows us to perform quantification for all components regardless of the differences in mass.

Let’s get started.

Step 1

Begin by bringing a 3D MS channel into Review, extract a TIC plot, open the Processing Method and integrate the peaks. Note the masses for the peaks (figure 1).

Empower Tips: Extract a TIC plot and integrate the peaks | Figure 1

Figure 1

Step 2

Select ‘Create Timed Mass Chromatogram’ from the Process menu (figure 2).

Empower Tips: Select Create Timed Mass Chromatogram | Figure 2

Figure 2

Step 3

Here we see an overlay using stack plot of the original TIC plot and the Timed Mass Chromatogram. The Channel Description indicates which is which. Note the difference between the chromatograms (figure 3).

Empower Tips: Note the difference between the chromatograms | Figure 3

Figure 3

Step 4

If we integrate the peak at 3.33 minutes in the original TIC plot, we see a signal to noise ratio of 10.9 to 1 (figure 4).

Empower Tips: Signal to noise ratio of 10.9 to 1 | Figure 4

Figure 4

Step 5

If you integrate the same peak in the Timed Mass Chromatogram, you will see a signal to noise ratio of 985 to 1. The chromatogram is much easier to work with in terms of integration and the baseline has far less noise, hence the improvement in sensitivity (figure 5).

Empower Tips: Baseline has far less noise, hence the improvement in sensitivity | Figure 5

Figure 5

It’s that easy!

Final notes:

  • The Timed Mass Chromatogram is automatically added to the Channel table of the Method Set.
  • 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 #119– We will continue this series on working with ACQUITY QDa MS data in Empower (Part 19).

 

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