Systems and methods for using variable mass selection window widths in tandem mass spectrometry
Systems and methods are used to analyze a sample using variable mass selection window widths. A tandem mass spectrometer is instructed to perform at least two fragmentation scans of a sample with different mass selection window widths using a processor. The tandem mass spectrometer includes a mass analyzer that allows variable mass selection window widths. The selection of the different mass selection window widths can be based on one or more properties of sample compounds. The properties may include a sample compound molecular weight distribution that is calculated from a molecular weight distribution of expected compounds or is determined from a list of molecular weights for one or more known compounds. The tandem mass spectrometer can also be instructed to perform an analysis of the sample before instructing the tandem mass spectrometer to perform the at least two fragmentation scans of the sample.
1. A system for analyzing a sample using variable mass selection window widths, comprising:
a tandem mass spectrometer that includes a mass analyzer that allows variable mass selection window widths across a mass range of a sample; and
a processor in communication with the tandem mass spectrometer that instructs the tandem mass spectrometer to perform at least two fragmentation scans of at least two variable selection window widths with different mass selection window widths across the mass range of the sample in a single analysis of the mass range.
2. The system of claim 1 , wherein the processor further instructs the tandem mass spectrometer to adjust one or more different acquisition parameters for each different mass selection window.
3. The system of claim 2 , wherein the acquisition parameters comprise one or more of an accumulation time, a collision energy, or a collision energy spread.
4. The system of claim 1 , wherein the mass selection window widths are selected to contain the same number of mass peaks.
5. The system of claim 1 , wherein the processor calculates the sample compound molecular weight distribution from a molecular weight distribution of expected compounds in the sample.
6. The system of claim 1 , wherein the processor determines the sample compound molecular weight distribution from a list of molecular weights for one or more known compounds.
7. The system of claim 1 , wherein the processor instructs the tandem mass spectrometer to perform an analysis of the sample before the processor instructs the tandem mass spectrometer to perform the at least two fragmentation scans of the sample that are part of a subsequent analysis of the sample.
8. The system of claim 7 , wherein the processor receives data produced by the analysis from the tandem mass spectrometer and calculates the sample compound molecular weight distribution from the data.
9. The system of claim 8 , wherein the processor calculates the sample compound molecular weight distribution by obtaining a spectrum from the data and calculating the sample compound molecular weight distribution from the spectrum.
10. The system of claim 7 , wherein the processor receives data produced by the analysis from the tandem mass spectrometer, interprets the data, and determines the sample compound molecular weight distribution from a pre-calculated compound molecular weight distribution found from the interpretation of data.
11. The system of claim 7 , wherein the processor instructs the tandem mass spectrometer to perform the analysis and the subsequent analysis two or more times in a looped manner in real-time.
12. A method for analyzing a sample using variable mass selection window widths, comprising:
instructing a tandem mass spectrometer to perform at least two fragmentation scans of at least two variable selection window widths with different mass selection window widths across a mass range of a sample in a single scan of the mass range using a processor, wherein the tandem mass spectrometer includes a mass analyzer that allows variable mass selection window widths across the mass range of the sample wherein the mass selection window widths are based on one or more properties of sample compounds, and the one or more properties of sample compounds comprise a sample compound molecular weight distribution.
13. A computer program product, comprising a tangible computer-readable storage medium whose contents include a program with instructions being executed on a processor so as to perform a method for analyzing a sample using variable mass selection window widths, the method comprising:
providing a system, wherein the system comprises one or more distinct software modules, and wherein the distinct software modules comprise a mass selection window width module; and
instructing a tandem mass spectrometer to perform at least two fragmentation scans of at least two variable selection window widths with different mass selection window widths across a mass range of a sample in a single scan of the mass range using the mass selection window width module, wherein the tandem mass spectrometer includes a mass analyzer that allows variable mass selection window widths across the mass range of the sample wherein the mass selection window widths are based on one or more properties of sample compounds, and the one or more properties of sample compounds comprise a sample compound molecular weight distribution.