Managing spectral data

In MS-MS there are typically multiple spectral information stored in the same chromatogram, created according to the instrument method of the MS-MS detector. All these measured data are stored in the chromatogram and can be accessed when needed.

To display the particular spectral information at any given time, use the Select Spectral Data drop-down on the MS toolbar or use the MS - Select Spectral Data menu command to select the desired spectral information, afterward use the MS - Show Spectrum menu command. The mouse position will be locked in the valid range of given spectral data information.

To set the particular spectral data as relevant to a compound entered in the MS Method table, the spectral data set must be active in the Select Spectral Data drop-down before the compound is added into the MS Method table. The information can be later changed in the MS Method table itself, the which data are used is stored in the (by default hidden) MS Method table column Spectral Data. The information on which spectral data are used for given compound is also accessible in the Result Table (Spectral Data column, hidden by default, read only) and in Calibration window (tooltip over the Quantified On column, only for rows that actually use the spectral information for construction of quantification signal).