AB Sciex QTRAP 4500 LC/MS/MS system, System User'S Manual, Page: 95 / 138

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System User Guide 4500 Series of Instruments
RUO-IDV-05-0264-A 95 of 138
Operating Instructions — Analyze and
Process Quantitative Data
Use the sample files found in the Example folder to learn how to select samples for quantitation,
how to select preset queries and create table-specific queries, and how to analyze the acquired
data. For more information about the following topics, refer to the Advanced User Guide .
• Metric Plots
• Layout of a Results Table
Quantitative Analysis
Quantitative analysis is used to find the concentration of a particular substance in a sample. By
analyzing an unknown sample and comparing it to other samples containing the same substance
with known concentrations (standards), the software can calculate the concentration of the
unknown sample. The process involves creating a calibration curve using the standards and then
calculating the concentration for the unknown sample. The calculated concentrations of each
sample are then available in a Results Table.
Quantitation Methods
A quantitation method is a set of parameters used to generate peaks in a sample. The
quantitation method can include parameters used to locate and integrate peaks, generate
standard curves, and calculate unknown concentrations. A previously saved quantitation method
can be selected from the Quantitation menu in the batch. For information about creating a
batch, refer to Add Sets and Samples to a Batch on page 64 .
The user can create a quantitation method before data acquisition and then apply the method to
the quantitative data automatically after the batch is complete. Alternatively, a quantitation
method can be created and applied post-acquisition.
Three tools can be used to create a quantitation method: the
Quantitation Wizard , the Build
Quantitation Method , and Quick Quant .
Build Quantitation Method
The Build Quantitation Method does not generate a quantitation Results Table although the
method can subsequently be used in the Quantitation Wizard to create a Results Table. The
Build Quantitation Method can also be used to change existing quantitation methods. This is
the most flexible way of creating a quantitation method.
Quantitation Wizard
With the Quantitation Wizard , a Results Table is generated at the same time as the quantitation
method. Alternatively, an existing quantitation method can be used to quantitate different sets of
data. This is the most common way of creating a quantitation method.
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