tab2_define_modifier_help.md

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Requirements

To be able to create/define a new modifier, mass list should have been upload in the Load mass list menu.

Defining a modifier

To define a single modifier, you have to follow 2 steps:

• Add a brick (atom or formula) of your desired modifier.
• When the bricks defining your modifier are all listed in the modifier brick table, click Submit

Your modifiers will appear in the modifier summary table.

Redo the previous steps to add more modifiers to be applied in further calculations.

Button functions

Add a modifier brick box

In the Enter formula/atom text box, enter an atom symbol or a formula in the text box. Atom symbol must follow the format of your mass list input table.

Using the Count numeric input, increase or decrease the number of atom(s) or compound(s) to be considered in your brick.

Use the Gain/Lost status selector to choose wether you want to consider a gain or a loss of the atom/formula.

Press the Add button to add a brick to the bricks table.

You can remove the last entry of the bricks table using the Remove last button.

Modifier bricks box

This box displays the brick(s) you want to consider to build the modifier.

Use the show menu to inscrease the number of lines displayed in the view.

You can copy to clipboard or save the table using the Copy, CSV, Excel or PDF buttons.

Submit your modifier box

You have to enter the total charge to be applied (z in m/z) in the later calculations when applying your modifier to a compound.

Note that the selected charge will applied the removal or the addition of the correct number of electron when computing a mass in the next menu.

The electron removal/addition is not applied to the modifier !

Once the bricks has been defined you can press the Submit button to save your modifier. The modifier will be added to the Modifier table to be use in later calculations.

You can also use the Remove last button to remove the last entry of the modifier table.

Modifier summary table box

All previously defined modifier(s) will appear in this table.

RelMass corresponds to the relative mass to consider in the mass calulation when applying the modifier to a compound.

Use the show menu to inscrease the number of lines displayed in the view.

You can copy to clipboard or save the table using the Copy, CSV, Excel or PDF buttons.