About Results Tables; Quantitation Methods And Results Tables; Create A Method Using The Quantitation Method Editor - AB Sciex 4500 Series System User's Manual

Analyzing and Processing Quantitative Data
Quick Quant
Quick Quant is part of the Batch Editor. Use Quick Quant to add compound concentrations prior
to data acquisition. Because a sample has not been acquired, a representative sample cannot be
be selected or any peaks reviewed. With this process, only the method components are defined.

About Results Tables

Results Tables summarize the calculated concentration of an analyte in each unknown sample
based on the calibration curve. Results Tables also include the calibration curves as well as
statistics for the results. The user can customize the Results Table and view the Results Tables in
layouts.
The data from a Results Table can be exported to a .txt file for use in other applications, such as
Microsoft Excel. The user can also export data in the table or just the data in the visible columns.

Quantitation Methods and Results Tables

For the following procedures, use the sample data that is installed with the software. PK Data
contains the batches Mix_Batch1 and Mix_Batch2. These sample batches are used to
demonstrate the usefulness of metric plots to isolate problematic samples. The ions scanned
were reserpine (609.4/195.0), minoxidil (210.2/164.2), tolbutamide (271.3/91.1) and
rescinnamine (635.4/221.2), which is the internal standard. Batch 1 contains no errors in terms of
sample preparation, whereas Batch 2 contains a QC sample where the internal standard was
added twice (sample QC2).

Create a Method using the Quantitation Method Editor

Prerequisites:
• The Example project is selected.
• The Analyst Classic algorithm is used.
1. In the Navigation Bar, under Quantitate, double-click Build Quantitation Method.
The Select Sample dialog opens.
2. In the Data Files list, double-click the Triple Quad folder.
3. Select Mix_Batch_2. wiff.
The samples in the selected data file appear in the Samples list.
4. Click OK.
5. In the Internal Standards table, do the following:
i. In the Name column, select rescinnamine.
ii. In the Q1/Q3 column, select 635.400/221.185 for each standard.
Note: If the Compound ID field was populated for the samples and internal
standards in the acquisition method, then in the Internal Standards table,
when a value in the Q1/Q3 field is selected, the Name field is automatically
populated.
6. In the Analytes table, do the following:
4500 Series of Instruments
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System User Guide
Document Number: D5030863 A