Table I. Summary of mass accuracy analyses of a typical single LC-MS/MS run (replicate 60) and combined analysis of all 60 replicate runs for precursors and products using no mass recalibration, linear mass recalibration, and proportional mass recalibration.
Analysis | Precursors/products | Mass recalibration type | Count | Mean | S.D. |
---|---|---|---|---|---|
ppm | ppm | ||||
Replicate 60 | Precursors | None | 1,934 | −3.31 | 0.93 |
Replicate 60 | Precursors | Linear | 1,934 | −1.68 | 0.98 |
Replicate 60 | Precursors | Proportional | 1,934 | +0.77 | 0.71 |
Replicate 60 | Products | None | 23,988 | −2.32 | 0.89 |
Replicate 60 | Products | Linear | 23,988 | −1.62 | 0.81 |
Replicate 60 | Products | Proportional | 23,990 | +0.17 | 0.67 |
Combined | Precursors | None | 119,184 | −1.23 | 1.54 |
Combined | Precursors | Linear | 119,184 | −0.35 | 1.09 |
Combined | Precursors | Proportional | 119,184 | +0.80 | 0.70 |
Combined | Products | None | 1,622,070 | −0.18 | 1.42 |
Combined | Products | Linear | 1,621,500 | −0.10 | 1.10 |
Combined | Products | Proportional | 1,621,440 | +0.16 | 0.67 |