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The Use of A New Meta-calculation Software for Automated Data Processing of Tandem MS for Inborn Error Metabolism Research
Overview
Purpose:
Streamline tedious and multiple steps of manual
calculations; remove transcription errors in post-analytical phase of
testing processing; improve turn-around-time of data analysis.
Methods:
Use a new software for research to automatically process
raw data files generated from flow injection tandem MS analysis of
amino acids and acylcarnitines in dried blood spot cards.
Results:
A total of 3200 calculations from 100 donor samples were
compared between single step software processing with multiple-
steps manual calculations, including 1,900 analyte peak areas, 1,000
analyte concentrations and 300 user defined formulas. An agreement
of results was demonstrated, and processing time reduced from hours
to minutes.
Introduction
The use of Tandem MS for inborn error metabolism research started
in early 1990 [1]. With advancement of Tandem MS technology, more
compounds can be detected and quantified using a simple sample
introduction method such as flow injection with isotopic internal
standards. A major challenge is to process a large quantity of
generated data efficiently without transcription errors [2] (Figure 1).
Methods
Sample Preparation
Samples were extracted from dried blood spot cards; the internal
standards were added during the extraction procedure and extracted
samples were derivatized prior to injection onto an LC-Tandem MS
system. Quality Control (QC) samples were added to the batch.
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process
FIGUR
FIGURE 1. Common errors in post analytical phase of testing
FIGUR
Approa