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Outputting information of compound table to IST for GCMS

IST for GCMS is a data analysis software by Ion Signature Technology, Inc.
It can extract the expected chromatogram and calculate the concentration of the target components
even if they are eluted together with matrix components. (Deconvolution process is available for
quantitation on IST for GCMS.) This document briefly explains the procedure for loading spectra data
and information of compound table of GCMSsolution in IST for GCMS. Regarding details about the
operation, refer to each instruction manual.

NOTE: IST for GCMS (IFD version 1.5) can load only a data file of Agilent ChemStation. Please
convert a data file of GCMSsolution to that of Agilent ChemStation using a third party software, and
then load it on IST for GCMS.

Compound information
A method file of GCMSsolution contains the compound information used in identification of the
components. It is also important information to apply deconvolution on IST for GCMS.
GCMSsolution has a feature of outputting information of compound table in a csv format. By using it,
IST for GCMS can import compound information.

To import information of compound table of GCMSsolution to IST for GCMS

1. Preparation
To enable the function of outputting compound information, you have to follow the next steps once.
(1) Double click the following registry file on Windows explore.
X:\GCMSsolution\Regist\ExportforIFD_ON.reg
Where X is the drive GCMSsolution was installed.

(2) Message box will be displayed. Click "Yes" button.

(3) Message box will be displayed. Click "OK" button.

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2. Outputting compound information of GCMSsolution in csv format

(1) Load a data file of standard sample on Data Analysis window of GCMS Postrun Analysis.
(2) Create a compound table by using the loaded data. You have to specify a compound name,
retention time, mass number and the setting regarding reference ions.

Fig 1. Information of compound table

(3) Select the "Save Method As" command on the "File" menu, a "Save Method As" dialog is
displayed.
(4) Set "File Types" up as "Compound Table CSV (Comma) (*.csv)" and specify a location and file
name. Click "Save" to save a file in csv format that contains the information of compound table.

Fig 2. Saving information of compound table in csv format

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3. Importing information of compound table in IST for GCMS

(1) Start IST for GCMS (IFD). Select "New" command of "Method" menu to create a new method
window.

Fig 3. Selecting New menu

(2) Select "Import From CSV File" command of "File" menu.

Fig 4. Importing CSV File

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(3) Specify the csv file saved in " 2. Outputting compound information of GCMSsolution in csv format
" and click OK button. The information of compound table is imported and displayed on the
window.

Fig 5. Display of compound information

(4) Click "Save" button to save the information as a method. These steps enable IST for GCMS to
use compound information of GCMSsolution.

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