To override the SIM ions in the method, specify the target masses in the Sequence Table. Enter the override SIM ions in the SQ:SIM Mass column.
The SIM ions that get overridden and how their mass is changed is defined by a set of rules. Input a string of masses into the Sequence Table using a pattern similar to "xxx;xxx;xxx" where "xxx" is replaced by masses. This input is validated by a separate set of rules. If validation passes, the Mass Overrides will be applied to the SIM ions.
SIM ions in the original method are split by Polarity first. Then, they are sorted based on Gain values
Each Mass Override indicates polarity by a positive number (positive polarity) or a negative number (negative polarity).
Target masses for Mass Overrides are numbers separated by a semicolon (";").
SIM Mass input for Mass Overrides can have one or mixed polarities (for example, "101; - 201; 301"), which need to match the polarities of the SIM ions in the original method.
The number of target SIM ions in the Sequence Table needs to match the number of SIM ions in the original method for each Gain value in the same Polarity.
When you have multiple Time Segments, Mass Overrides only apply to the SIM ions in the first Time Segment.
If the method has a different number of SIM ions for multiple Gain values for the same polarity in the method, this method does not support mass override. For example, if Gain1 has 2 SIM ions in the method, then Gain2 for the same polarity should also have 2 SIM ions to support mass override.
Mass Overrides: 101; -201
SIM Ion | Gain | Polarity |
SIM 1 | 0.1 | + |
SIM 2 | 0.1 | - |
SIM3 | 1.1 | + |
SIM4 | 1.1 | - |
SIM5 | 2.2 | + |
SIM6 | 2.2 | - |
Positive Overrides: 101
Negative Overrides: 201
SIM Ion | Gain | Polarity |
SIM 1 | 0.1 | + |
SIM 3 | 1.1 | + |
SIM5 | 2.2 | + |
SIM2 | 0.1 | - |
SIM4 | 1.1 | - |
SIM6 | 2.2 | - |
SIM Ion | Mass | Gain | Polarity |
SIM 1 | 101 | 0.1 | + |
SIM 3 | 101 | 1.1 | + |
SIM5 | 101 | 2.2 | + |
SIM2 | 201 | 0.1 | - |
SIM4 | 201 | 1.1 | - |
SIM6 | 201 | 2.2 | - |
Mass Overrides: 101; -201, 301
SIM Ion | Gain | Polarity |
SIM 1 | 0.1 | + |
SIM 2 | 2.2 | - |
SIM3 | 1.1 | - |
SIM4 | 0.1 | + |
Positive Overrides: 101; 301
Negative Overrides: 201
SIM Ion | Gain | Polarity |
SIM 1 | 0.1 | + |
SIM 4 | 0.1 | + |
SIM 3 | 1.1 | - |
SIM 2 | 2.2 | - |
SIM Ion | Mass | Gain | Polarity |
SIM 1 | 101 | 0.1 | + |
SIM 4 | 301 | 0.1 | + |
SIM 3 | 201 | 1.1 | - |
SIM 2 | 201 | 2.2 | - |
Mass Overrides: 101; -201, 301
SIM Ion | Gain | Polarity |
SIM 1 | 0.1 | + |
SIM 2 | 2.2 | - |
SIM3 | 1.1 | - |
SIM4 | 0.1 | + |
Positive Overrides: 101
Negative Overrides: 201
SIM Ion | Gain | Polarity |
SIM 1 | 0.1 | + |
SIM 4 | 0.1 | + |
SIM 3 | 1.1 | - |
SIM 2 | 2.2 | - |
The override fails because the method has two positive SIM ions with a gain of 0.1, so you need to specify two mass overrides.
The number of mass overrides must match the number of SIM ions for each unique gain in the same polarity.