Spectra (MS)

MS TIC Signal for Spectrum Extraction

Select the MS TIC signal for MS spectrum extraction from a list of available MS TIC signals (based on loaded data). This signal will be used to extract and render the MS spectrum at the retention time of the related UV/GC peak.

By default, the first TIC is selected for MS Spectrum extraction. If the loaded data does not contains MS TIC signals, None will be selected in the signal list, with the hint * Load appropriate LCMS/GCMS data to select an MS signal.

Peak Spectra Selection

Specify how the MS spectra that are shown in the report will be extracted.

Same as Data Analysis

Extract MS spectra as specified in the Data Processing view in the processing method (for example, using a specific time range for background correction).

Automatically extracted MS spectra are apex spectra. If you manually extracted other peak, select Report manual spectra if available to report them in addition to the apex spectra. To report arbitrary spectra, see Report manually extracted spectra not associated with any peak.

Select Do not report apex spectrum to omit the apex spectrum for peaks that have a manually extracted spectrum. For peaks without a manually extracted spectrum, the apex spectrum is still reported.

Custom

Always extract MS spectra as specified here (for example, from the peak apex). No background correction is done.

Display Reference Spectrum

If the processing method of the reported injection contains reference spectra, they are inserted at the top of the listed spectra. The titles of reference spectra always start with the REF prefix.

By comparing a reference spectrum with the current spectrum of an identified compound, you can confirm the identity of the compound.

Highest Response Value Of Mass Peak

In the top right corner of the graph, show the response value of the highest mass peak in this spectrum.

The maximum value is specified with two digits after the decimal point.

Mass Peaks Filter

Define a specific filter for the shown mass peaks:

Minimum Abundance Value

You can enter minimum values (absolute value in the unit of the y-axis scale) for the response of mass peaks. Only mass peaks higher than the entered value are displayed.

% Response Filter

You can enter a percentage value of largest mass peak. All peaks with a response value smaller than x % of the largest mass peak are not displayed.

n-largest peak filter

You can enter the number (1 to 255) of largest peaks that you want to display.

Mass peak filters are applied only to spectra that have been acquired in Centroid mode.

Mass Peak Label

Show Mass Peak Label

Use this option to automatically label the mass peaks in a way that the labels never overlap.

Simplified Mass Peak Label

Show only a reduced number of mass peak labels that are centered horizontally over the peaks. and do not overlap with other labels or peaks.

Mass Peak Labelling Filter

Label only mass peaks with a specific minimum abundance.

  • % of Highest Abundance Value

    The mass peak abundance in percent must be higher than the specified value.

  • Absolute Abundance Value

    The absolute mass peak abundance must be higher than the specified value.

  • n-largest peak filter

    Only the n largest mass peaks are labeled.

Number of Digits

You can choose the number (0 to 3) of displayed decimals for the mass peak labels. The default is 1.