MassFinder What's new

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MassFinder 4

MassFinder 4 was released on the occasion of the 39th International Symposium on Essential Oils, 7-10th September 2008, in Quedlinburg, Germany.

MassFinder 4 offers several new exciting features, of which the most important are explained here.

Contents

Working with two GC/MS at the same time

MassFinder 4 supports the simultaneous and almost independent processing of two GC/MS runs. Typical scenarios include:

  • Compare a reference GC/MS run with another sample, i.e. in quality control.
  • Compare the same sample measured on different stationary phases, e.g. DB1 and DB-Wax.
  • Open the GC/MS and GC-FID of the same sample at the same time: Identify by MS, quantify by FID.

In all scenarios the result table lists the constituents and percentages side-by-side, no matter in which order they occur in the different runs. Working with multiple stationary phases or with different detectors has never been easier before!

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Open ChemStation GC-FID data files

MassFinder 4 can read and process Agilent ChemStation GC data files (e.g. FID, ECD).

Multiple retention tables

MassFinder 4 supports an unlimited number of retention tables, to which you may give descriptive names, e.g. representing your method, stationary phase or instrument.

The new open dialog lets you easily select which retention table to use with each sample. The two simultaneously loaded GC/MS runs may access different retention tables and use different retention indices.

MassFinder 4 libraries are now able to store two retention indices representing different stationary phases, e.g. DB1 and DB-Wax. By selecting a proper retention table when opening a GC/MS run, MassFinder automatically uses the correct retention index associated to this retention table. Thus, comparing two runs of the same sample measured on DB1 and DB-Wax requires only simple opening with the correct retention table and MassFinder cares for everything else.

Retention table set-up

MassFinder can now create and update retention tables automatically when given a GC/MS run with marked alkane peaks, no matter if they are unknown or identified. Thus, keeping your retention table up-to-date is now a matter of seconds and no manual editing is required anymore.

Auto-load and multiple libraries

MassFinder 4 now automatically opens your default mass spectral libraries when launching. If you routinely work with the same set of libraries, you do not need to care for the library selection anymore.

MassFinder 4 also supports the simultaneous usage of multiple libraries. You can either easily select which library to use or instruct MassFinder to search all open libraries one after the other -- in real-time without delay!

Thus, you will be able to use our Terpenoids library and your proprietary library at the same time, either together or alternatively. You may add new entries to any of the open libraries and you may copy entries from one library to another.

External search in NIST

MassFinder 4 can now start the external NIST MS Search software (if available on your system; license required) and launch a library search of the current scan. Once identified, you can add your own spectra to your proprietary MassFinder library. This way, MassFinder's libraries will get better and better and you have the additional advantage of your own spectra and retention indices.

Background subtraction and average spectra

MassFinder 4 allows to easily select scan rages and calculate average spectra (just right-zoom the desired range). You may use the average spectrum as search target or add it to a library. You may also use average spectra for on-the-fly or permanent background subtraction.

Enhanced user interface

MassFinder 4 has a new user interface which maintains the known look-and-feel, but adds several new features:

  • zoom into mass spectra with dynamic labels
  • time axis in main view chromatogram profile
  • hyperlinks in important dialog boxes to this online manual
  • unlimited number of ion traces and valuable base peak chromatogram (BPC)
  • Gaussian smoothing, baseline correction, cutting of spectra
  • free edit of library mass spectra

Open Dialog

MassFinder 4 uses a very comfortable open dialog, which allows to select the appropriate retention table when opening a new file. Both GC/MS slots can have different retention tables associated, so as to enable comparisons of runs using different methods or stationary phases.

The open dialog allows maintaining a favorite folder list, so that accessing multiple network drives or long paths is very convenient.

Online Help

This new wiki-based online tutorial and manual is accessible directly from MassFinder's help dialog. Important dialogs like options, tools or print offer direct access of the corresponding manual pages. The help dialog also lists all keyboard short-cuts for direct reference.

All buttons and control elements offer hints when hovering the mouse pointer. Thus, the highly intuitive user interface has become even more convenient and easy to use.

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