Acquire and Review Data on LC/TOF

1 Prepare TOF
1.1 Load autotune method ESIautotune.m
1.2 Check the calibration coefficients and prints report

Note: If the Calibration is not OK, go to step 1.3

 1.3 Perform mass calibration

Note: Masses for calibration could be customized if click Show Extended

1.4 Evaluate the checktune report

1.5 Click Quicktune to initiate a minimal automatic tuning procedure

1.6 Click Autotune to initiate a Initiates automatic tuning, which automatically changes
the TOF parameters and calibrates the TOF

Note: If Autotune is initiated after vent and pump down again, Initial box must
be checked
1.5 manual tune is applied for specific applications

1.5.1 Click Show Extended

1.5.2 Define parameters to be optimized

Select Masses you are interested

Select TOF parameters to be optimized
Select signal to be used
Click Ramp
2 Set up an acquisition method
2.1 Set up LC parameters as normal HPLC
2.2 Set up TOF data acquisition parameters
2.2.1 Data
2.2.2 acquisition

Gas temperature
Drying gas flow rate
Nebulizer
Capillary voltage
Fragmentor
Skimmer
2.3 Set up reference mass correction

2.3.1 Use Bottle A to Enable Reference Mass Correction

Note: Mass correction using a reference standard that passes through

the TOF with the sample
2.3.2 Select mass list used to create a new list
3.3 Enter the name for new list, then save the list
2.3.4 Delete all masses from the list except that are interested
2.3.5 Save the list
2.3.6 Select new mass list
2.3.7 Select references masses
2.4 Set up real-time display signals

Type: TIC, EIC, Setpoint, Actuals (for TOF parameters)

2.5 Save method
2.6 Print the method
3 Set up and run single samples
3.1 Launch Analyst QS
3.2 Create a new Project
3.3 Enter the name of Project
3.4 Load the method
3.5 Enter the information for sample

Note: Enter an injection volume on this screen only if you want to override
the value in the method. Otherwise, use the default value of -1
3.6 Click the Start icon to run sample
3.7 Review the single run data

3.7.1 select project and then Open Data File

3.7.2 select data file
3.7.3 display the chromatogram
3.7.4 Right-click chromatogram to select more function
4 Set up and run worklists
4.1 Set up a worklist to confirm empirical formulas

4.1.1 Right-click here

4.1.2 Select Add Multiple Samples

4.1.3 Enter the sample enough information, datafile name and method name,
and then select sample position

Note: Make sure the

data analysis path is
\damethods\ and
method name is
efc.anm
Sample position
4.1.4 Right-click here

4.1.5 Select Show/Hide Columns

4.1.5 Uncheck Sample Type, Inj. Vol. and Comments
4.1.6 Right-click here

4.1.7 Select Add Columns

4.1.8 Select EFC, enter formula 1 as column 1, and the accurate
formula for value
4.1.9 Repeat 4.1.6-4.1.8 for more compound

4.1.10 Save the worklist

4.2 Run a worklist

4.2.1 Click Worklist Run Parameters

4.2.2 Select Both Acquisition and DA
4.2.3 Start the Worklist
5 Customize empirical confirmation report for your own application
5.1 Launch Data Analysis Method Editor
5.2 Set parameters to default
5.3 Select DA Operations
5.4 Remove Mass List
5.5 Add Formula confirmation then click OK
5.6 Set up the parameters for Chromatogram, Spectrum, Target Mass,
Screening, Sample Purity, Report Options to meet your specific
requirement
5.7 Save the method as a different name