Simulate Isotopic Pattern

The tool is opened using the command "Tools -> Simulate Isotopic Pattern" from the Main Window. Use F1 to open this help.

Simulated isotopic pattern of ferrioxamine E.

Toolbar

Export Table to CSV (CTRL + E)

Export the table of peaks into a csv (comma separated values) file.

Export Image (CTRL + G)

Export the image into a PDF, PS (Windows only), PNG or SVG file. PS files in Linux can be generated outside of the application, e.g., using the pdf2ps tool.

Close (Esc)

Close window.

Zoom In (CTRL +)

Zoom in.

Zoom Out (CTRL -)

Zoom out.

Zoom Reset (CTRL + R)

Reset zoom.

Absolute Intensity (CTRL + I)

View absolute/relative intensities of peaks.

Profile Spectrum (CTRL + P)

View profile spectrum.

Hide Peak Labels (CTRL + L)

The labels of peaks are hidden if the button is checked.

HTML Documentation (F1)

Show HTML documentation.

Mouse m/z Selection Tool (CTRL + T)

If the button is enabled, the mouse can be used to select a range of m/z ratios to be shown.

Left mouse button - press and hold the button to draw a rectangle determining the minimum and maximum values of m/z ratios; release the button to apply the changes.
Right mouse button - press the button during the drawing of a rectangle to cancel the drawing.
Middle mouse button - reset the range of m/z ratios.
Mouse wheel up - zoom the interval in.
Mouse wheel down - zoom the interval out.

If the button is disabled, the mouse can be used to shift the interval of m/z ratios to the left or right. Press and hold the left mouse button to shift the spectrum.

m/z

First field - a minimum value of m/z ratio to be shown.
Second field - a maximum value of m/z ratio to be shown.
"Set" button (or Enter key) - apply the changes.
"Reset" button - reset the range of m/z ratios.

Ion type

Select the ion type whose isotopic pattern will be generated. The custom ion types can be defined in the Preferences dialog.

Formula

The molecular formula of a neutral molecule.

FWHM

Enter a value of full width at half maximum.

Charge

Enter a value of charge. Use the positive value for positive ion and negative value for negative ion.

Max. Absolute Intensity

Enter an absolute intensity of highest peak.

Simulate

Click on the button to recalculate the isotopic pattern.