Mass Spectrometry (MS)

Some windows and functions are specific to mass spectrometry. To view those windows and access the functions, the focused injection must contain MS data acquired with an LC/MS or GC/MS system.

Data that can be used has to be acquired from:

• OpenLab CDS ChemStation Edition or software with corresponding data format (see Import ChemStation data format)

• OpenLab CDS 2.0 or higher

NOTE

High Resolution data and MS/MS data cannot be loaded in Data Analysis.

Choose from different processing method configurations depending to your specific need:

• MS: Used for both quantitative and qualitative analysis with GC/MS or LC/MS. This method configuration includes qualifier ions, integration parameters, signal alignment, UV and MS spectra extraction, compound identification, calibration parameters, spectral UV impurity check, UV and MS spectra confirmation, system suitability (for example, for noise calculation), reporting, and if used, custom calculation results. MS library search is available if NIST libraries are installed.

• LC/MS Sample Purity: Configuration for qualitative methods focused on sample purity confirmation, used for final R&D steps as well as for quality control purposes. In addition to the parameters of the MS method configuration, it contains manual UV spectra extraction and MS sample purity results. In contrast to the MS method, it does not contain calibration parameters, or system suitability.

• LC/MS Spectral Deconvolution: Required for MS Spectral Deconvolution. Same as MS, but with additional MS Spectral Deconvolution settings.

If you installed OpenLab CDS Add-ons, Mass Spectrometry may include additional functions. See Add-on Software for details.