Creating a Neutral Gain/Loss Method for Triple Quadrupole LC/MS Systems with MassHunter 12.0 or Later

Answer

This information applies to: Agilent Triple Quadrupole LC/MS System, MassHunter 12.0 and later.

Issue

Set up a Neutral Gain/Loss acquisition method.

Steps to Follow

1. From the Scan type drop-down list in the Time Segments window, select Neutral Gain or Neutral Loss (Figure 1).
   

   
   
   Figure 1. Scan type drop-down list
   
   

2. Fill the table with the different information (Figure 2):
   
   • Segment Name: The name to use for the scan segment.
   • Compound formula: The formula of the compound.
   • Ion Species: The ion species of the compound. Some examples of Species are (M+H)⁺ and (M+Na)⁺.
   • CAS: Chemical Abstracts Service number.
   • z: The charge of the compound.
   • Neutral Gain (or Loss) m/z: The mass gained (or lost) for the molecule. 
   • Start m/z: The mass to start scanning at (m/z).
   • End m/z: The mass to stop scanning at (m/z).
   • Scan time: The time to spend in milliseconds (ms) to complete a scan.
   • Fragmentor: The voltage (V) of the fragmentor.
   • CAV: The voltage (V) for the cell accelerator.
   • CE: The voltage (V) for the collision energy.
   • Polarity: The polarity to use for the scan segment.
     

     
     
     Figure 2. Acquisition Parameters table
     
     

3. Add and remove lines using appropriate icons .
4. The bottom of the table has some information and parameters to set (Figure 3):
   • Estimated cycle time: How long it takes in milliseconds (ms) to complete a cycle of all the scan segments.
   • Estimated max scan speed: How fast the data are acquired.
   • Data storage: Select the location to store the data, either in Centroid or in Profile.
   • Threshold: If Profile is selected, the Threshold value does not change anything. If Centroid is selected, the Threshold value is there to limit what will be added to the data file. Anything under that value will not be saved, thus reducing the data file size.
     

     
     
     Figure 3. Acquisition parameters information
     
     

5. Add a desired Start time, Detector Gain Factor for the positive, and negative polarity and if the time segment is to be Stored to the data file (Figure 4).
   

   
   
   Figure 4. Time Segments window
   
   

6. Save the method as  or overwrite the current loaded method .
   

    

   Learn how to effectively operate your Agilent MassHunter 12 for Triple Quadrupole LC/MS:  Agilent Triple Quadrupole LC/MS System Introduction Workbook on Agilent.com Agilent Triple Quadrupole LC/MS System User Guide on Agilent.com