Compound Composer Database Software for Simultaneous Analysis
"Compound Composer Database Software for Simultaneous Analysis" is an optional software of Workstation "GCMSsolution" for GCMS-QP2010 Series.
(*Please refer to the measurement flow chart
for GCMS analysis using the Compound Composer software.)
- Rough quantitation values for hazardous chemicals can be confirmed without using a standard sample.
- The retention times, mass spectra and calibration curves for about 942 hazardous chemicals are registered in the database. In combination with the prediction of retention times using n-alkane, the database supports highly reliable compound identification.
- Analysis and report generation are conducted using GCMSsolution for GCMS-QP2010 Series.
- Database compound information can be easily added and corrected.
- For confirming the presence or the amount of both restricted and unrestricted hazardous chemicals
- For grasping the approximate quantitation values of substances when difficult to obtain standard samples
- For quick and easy identification and quantitation of chemical substances in accidents and incidents
- For easy creation of quantitation tables for quantitative analysis
The Compound Composer extracts the target masses, mass spectra, calibration curves and other information required for quantitation of components of interest, and genertes a GCMSsolution method. It also predicts the retention times of target components using the n-alkane retention time information in the database together with the n-alkane measurement data acquired under the instrumental conditions in use, thereby enabling their identification and quantitation using GCMSsolution even without specifying other conditions. In addition, data on substances for verifying the instrument performance is also registered in the database. Please refer the Analysis Flow Chart
using the Compound Composer Database Software for simultaneous analysis.
GCMS-QP2010 Series with GCMSsolution Ver.2.21 or later
Microsoft® Windows®XP Professional or Windows®2000 Professional SP3 or greater
(If the OS is earlier than Windows® 2000 SP3, please update the OS beforehand.)
Database for Simultaneous Analysis (942 environmental-related compounds), Compound Composer
(When using this database system, n-alkane, internal standard solutions and instrument performance evaluation substances must be obtained separately.)
- The database quantitation performance is adequate for screening if the GC/MS instruments including the column are appropriately adjusted. However, compared to the existing method in which a calibration curve is generated at the time of sample measurement, quantitation performance is inferior. For this reason, if strict quantitation results are required, be sure to measure a separately obtained standard solution, generate a calibration curve and then perform quantitation.
- To identify registered substances with certainty using this database, conduct analysis in accordance with the instrument conditions in the method template file included with the product.
- When analyzing compounds having absorptive or degradation property such as nitrogen-containing compounds, carbamate, and pyrethroid pesticides, the quantitation results may differ very far from the actual values depending on the conditions of the column and sample solution.
* This system was jointly developed by Shimadzu and Kitakyushu City Institute of Environmental Sciences in Japan.
Analysis Flow Chart
The analysis flow consists of the two processes: "Instrument Adjustment and Performance Checking" an "Simultaneous Analysis for Unknown Samples".
In the process of the "Instrument Adjustment and Performance Checking", the performance evaluation method is generated to check and confirm the instrument's performance using data obtained by standard solutions and data on substances for verifying the instrument performance registered in the database. At this moment, QA/QC functions contained in the GCMSsolution are used.
In the process of the "Simultaneous Analysis for Unknown Samples", the data obtained using standard solutions and other information required for quantitation analysis contained in the database such as the target masses, mass spectra and calibration curves are extracted, and the simultaneous analysis method for the GCMSsolution is generated. (The retention times of the target compounds are predicted using the n-alkane retention time information in the database together with the n-alkane measurement data acquired under the instrumental conditions in use.) The measurement data of the unknown samples is processed using the simultaneous analysis method.