MassFinder Options - library administration

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MassFinder 4: Manual

The library administration tab sheet of the options dialog allows to write-ptotect the library, to select multiple libraries to be automatically opened at start-up and to configure the NIST external search.

Library file location

You can use the open library button of the main view to open libraries stored in any folder of your computer. However, it is much more convenient to store all libraries in one dedicated folder. By default, a freshly installed MassFinder version uses the installation folder as library folder and you can continue to use this setting.

MassFinder can automatically open multiple libraries at start-up. By default, the Terpenoids library is opened automatically. You may deactivate the checkbox to temporarily instruct MassFinder not to open any libraries at start-up or you can delete or add any libraries to the lst box that you want to be opened automatically.

We recommend to create a library to which you add all new compounds and to instruct MassFinder to automatically open both the Terpenoids library and your library at start-up.

The NIST button of the main view starts an external seach in the NIST MS Search program which is bundled with many popular mass spectrometry acquisition systems. Please note that you need to own a license for NIST MS Search which is not included in MassFinder.

In order to set-up this feature to work properly you have to locate the executable of the NIST MS Search program. Please click on the open button at the right side of the location of executable selection box and browse your computer for the file NISTMS$.EXE. MassFinder tries to help you by suggesting the default NIST folder.

Please first try the setting 1-step of the NIST communication selection box. Unfortunately, there are different kinds of NIST MS Search mechanisms and MassFinder cannot know which one of both mechanisms is needed on your system. In most cases, the 1-step option will work. If not, please try the 2-step option.

The NIST MS Search software offers an internal search list and you may decide whether to overwrite, append or ask what to do with the existing list. By default, overwrite is activated and this is the most straight-forward solution if you are not an expert user of NIST MS Search.

How to use the NIST search: Once activated, you can click on the NIST button in the main view to start the NIST MS Search program, to transfer the current scan into it and to start the external search. You may return from NIST to MassFinder by using the back button (left-pointing arrow) of the NIST MS Search software. Please note that you can use the clipboard to copy the substance name from NIST to MassFinder if you want to add your identified scan to your MassFinder library.

Export and maintanence

Image:Button-Excel.png This routine exports the entire current library into the clipboard. The data is prepared to be easily pasted into a Microsoft Excel table. Use Excel or any other spreadsheet software to sort, filter or present your library entries as table.

Image:Button-LibTools.png library tools: This button opens the library tools dialog which offers several options to maintain the integrity of your library and to clear unwanted data from certain data fields. For example, internal usage of your library may profit from having information about the originating file, date of acquisition or the user names of those people who created a certain library entry. However, if you give your library away to external usage, you might prefer such information to be deleted. Further, clearing such fields will reduce the size of the library.

Image:Button-CreateLibMark.png create new library from marked peaks: This routine creates a new library and adds all marked peaks (yellow, red, blue arrows) of your current GC/MS run to the new library.

Image:Button-CreateLibHit.png create new library from current hit list: This routine creates a new library and adds all library entries of the current hit list to the new library. The current hit list (right panel) may be a result of any similarity search or of using the filter dialog. Use this routine to split your libraries into partial libraries by common criteria.

Image:Button-MergeLib.png create new library by merging libraries: This routine creates a new library and adds all entries of all selected libraries to the new library. The source libraries are not changed. This button opens the merge libraries dialog, in which you may select the libraries intended to be merged. To be able to select more than one library you need to hold down the Shift'-key.

Together, these library routines enable to split and merge your libraries in a convenient fashion. If you miss any routines for your daily work, please do not hesitate to contact us.

See also

Please select the tab sheet of interest:

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