Granted Patent B2

US 10,354,421 · App. 15/066,871 · Granted Jul 16, 2019

Abstract

Claims (33)

1. A method for the automated analysis and annotation of a peptide map, the method comprising:

importing candidate peptides related to a target protein;

concurrently displaying a chromatographic trace, a listing of candidate peptides, and a mass over charge (m/z) trace;

automatically annotating peaks of the chromatographic trace using the listing of candidate peptides; and

displaying the annotated peaks concurrently with the chromatographic trace, the listing of candidate peptides and the m/z trace;

receiving, from a user, a selected time period from the chromatographic trace comprising a region of peak signal intensity;

determining intensity values at one or more m/z segment for each of a plurality of times within the selected time period;

comparing a time course of the intensity values for the m/z segment over the time period to the time course of the chromatographic trace signal intensity over the region of peak signal intensity to determine a score of the comparison; and

annotating the m/z trace with a visual representation of the score of the comparison.

2. The method of claim 1 , further comprising concurrently displaying a plurality of additional chromatographic traces.

3. The method of claim 2 , further comprising aligning the plurality of additional chromatographic traces with a reference chromatographic trace.

4. The method of claim 1 , wherein automatically annotating the peaks comprises applying a user-definable threshold of the candidate peptides based on accuracy scores associated with each candidate.

5. The method of claim 1 , further comprising allowing a user to manually annotate peaks of the chromatographic trace.

6. The method of claim 1 , further comprising allowing the user to modify the chromatographic trace display.

7. The method of claim 1 , further comprising adjusting a baseline of the chromatographic trace.

8. The method of claim 7 , further comprising allowing the user to manually adjust the baseline.

9. The method of claim 1 , further comprising generating a report including the annotations.

10. A method of displaying a correlation between a candidate molecule and a candidate chromatographic peak, the method comprising:

concurrently displaying a chromatographic trace and a mass/charge (m/z) trace;

receiving a user-selected time period from the display of the chromatographic trace that includes a region of peak signal intensity;

determining intensity values at a m/z segment for each of a plurality of times within the time period;

comparing a time course of the intensity values for the m/z segment over the time period to the time course of the chromatographic trace signal intensity over the region of peak signal intensity; and

concurrently updating the m/z trace with a visual representation of an indicator of a score of the comparison.

11. The method of claim 10 , further comprising selecting the m/z segment from within a mass/charge region having an intensity that is greater than a threshold.

12. The method of claim 10 , further comprising selecting the m/z segment from within a m/z region having an intensity that is greater than a threshold percentage of a maximum value of the intensity within the region of m/z.

13. The method of claim 10 , further comprising labeling a visual representation of the m/z segment in a mass spectrogram with an indicator of the score of the comparison that comprises coloring the visual representation of the m/z segment with a color indicating the score.

14. The method of claim 10 , further comprising labeling a visual representation of the m/z segment in a mass spectrogram with an indicator of the score of the comparison that comprises coloring the visual representation of the m/z segment with a numeric value of the score.

15. A non-transitory computer-readable storage medium storing a set of instructions capable of being executed by a processor, that when executed by the processor causes the processor to:

concurrently display a chromatographic trace and a mass/charge (m/z) trace;

receive a user-selected time period from the display of the chromatographic trace that includes a region of peak signal intensity;

determine intensity values at a m/z segment for each of a plurality of times within the time period;

compare a time course of the intensity values for the m/z segment over the time period to the time course of the chromatographic trace signal intensity over the region of peak signal intensity; and

update the m/z trace with a visual representation of an indicator of a score of the comparison.

Assignments (9)

Cited By (4)

US 12,205,331 US 12,224,169 US 12,352,757 US 12,400,846