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Chemical Structure Identification based on Differential Mass Spectra Features

Please consult the introduction about CSI-Diff-ms.

The features may change based on version and license type.
Please consult the specific feature list for each product version.

 

Operating System Support

  • Microsoft Windows XP, 2003
  • Linux
  • Many UNIX

Prerequisites

  • Sun Java JRE 1.4.2_06 or above
  • Graphical environment (only Linux, UNIX)

Features related to the license type

Feature CSIDiffMS Lite CSIDiffMs
MS ChemStation (*.ms) file format support Yes Yes
Comma separated values (*.csv) file format support Yes Yes
CSI-Diff-ms XML (*.xml) file format support Yes Yes
MassLynx ASCII (*.txt) file format support Yes Yes
NetCDF ANDI/MS (*.cdf) file format support Yes Yes
JCAMP-DX (*.dx) file format support No No
TIC visualization with individual scan extraction Yes Yes
Individual mass spectrum visualization Yes Yes
Correlated differential mass spectrum Yes Yes
Ratio of two spectra (Pms) Yes Yes
Difference of two spectra (Dms) Yes Yes
Percentage difference of two spectra (D%ms) Yes Yes
Adnotate and save individual mass spectrum to file Yes Yes
Customize graphics Yes Yes
Save graphics to file Yes Yes
Print graphics Yes Yes
Numerical calculation for differential mass spectrum (Pms, Dms, D%ms) Yes Yes
Numerical calculation for the similarity factor Yes Yes
Export differential mass spectrum as CSV file Yes Yes
Isomer identification probability calculation No Yes
Number of available isomer/mass spectra identification/correlation algorithms 0 4
Export spectra/isomer correlation results as CSV file No Yes
Export spectra similarity results as CSV file Yes Yes
Quantum chemical database No Yes
Quantum chemical database search No Yes
Extend provided quantum chemical database No Yes
Modify quantum chemical database records No Yes
Delete quantum chemical database records No Yes
Mass data import into the quantum chemical database No Yes
Quantum chemical database export No Yes
Customization Yes Yes
Find specific scan(substance or isomer) inside complex experiment data No Yes
Number of FindScan algorithms 0 3