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• Processing of esquire and micrOTOF data
• Création of expected mass lists
• Difference calculation with eXpose
• Automated creation of EIC traces of detected metabolites
• Peak detection routine for multiple masses at one retention time
• Peak integration algorithm for different chromatograms (TIC, BPC, EIC)
• Calculation of average mass spectra after integration
• Creation of MRM and autoMSn methods with time segments
for esquire instruments, including preview function
• Copy-paste to other software applications for tables and graphics
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Windows 2000 (SP 4) and Windows XP (SP1) have been tested as sup-ported operating systems.
The MetaboliteTools 1.1 software has been tested and released with the following software packages: Compass 1.0 (HyStar 3.0, esquireControl 5.2, micrOTOF Control 1.0 and DataAnalysis 3.2).
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Hardware Configurations
The complete functionality of the Metabolite Tools 1.1 software has been tested in conjunction with the
HCT ion trap, Agilent 1100 HPLC
system and HP Laserjet 2200 printer.
Basic tests were performed on the esquire3000, esquire3000plus, esquire6000, esquire2000, esquire4000 and micrOTOF.
When using the esquire2000 or esquire4000, the method export func-tion for the generation of autoMSn methods from MetaboliteDetect to esquireControl is not available.
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Fig. 14: Exporting the new method and previewing the time segments
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Bruker Daltonik GmbH
Bremen • Germany
Phone +49 (421) 22 05-0 Fax +49 (421) 22 05-104 E-Mail sales@bdal.de
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Bruker Daltonics Inc.
Billerica, MA • USA
Phone +1 (978) 663-36 60 Fax +1 (978) 667-59 93
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See our website for Worldwide sales and service contacts.
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