Mass Spectrometry (MS)

If you installed the 2D-LC Add-on, Mass Spectrometry includes additional functions. See 2D-LC help for details.

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

Different processing method configurations are designed for specific needs:

• 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.