Software & Downloads

Autoflex Spectra Finder

AutoflexSpecFinder - small tool to find spectra (Bruker FlexControl XMASS format) by their comment entries. Found spectra can be selected and opened directly in FlexAnalysis (Bruker Daltonics) from this program.

SpecQuest MS for Windows (Version 5.1.0.250) - Internal System for producing submission forms for Mass Spectrometry and CHN analysis. Installation need admin rights on the computer. For UniMS internal installation is application is available in SCCM and has to be deployed to the corresponding computer by the group admin.

(The software can also be used by non-UniMS users, but you need to request for an individual UserData-File to run the program. This "UserData.ini" must be located in the folder "...\Desktop\SpecQuestVersions" for the software to work.)

Note: Some browsers rename the file during download (e.g. Internet Explorer renames to * .man). In such cases please rename the downloaded file to * .msi again before starting the installation!

VersionFile

Universal Mass Calculator (UMC) for Windows (Version 3.11.0.27) - useful application for calculating relevant information from sum formulae, e.g isotope distribution, mass differences, mass deviations and mass/isotope information of the elements, degree of deuteration.

Citation of UMC software in scientific publications:

The computer software UMC (Universal Mass Calculator) was used to [simulate isotope patterns, evaluate the degree of deuteration/labelling, evaluate elemental compositions]. UMC V3.11.0.27, Dr. Matthias C. Letzel, University Münster, Org.-Chem. Institut, Germany. https://www.uni-muenster.de/Chemie.oc/ms/downloads.html

Universal Mass Calculator (UMC) for the Web - useful Web-Application (Intraweb!) for calculating relevant information from sum formulae, e.g isotope distribution, mass differences, mass deviations and mass/isotope information of the elements.