Table 5.
Quality assessment of identification (LTQ Orbitrap Discovery®, mass resolution FTWM 30,000 at 400 m/z). RT: retention time. Averages of 13 injections in two days at five concentrations (2.5 to 40 ng SPX-1/mL; 0.95 to 190 ng PnTX-G /mL).
| NRC CRM SPX-1 | NRC CRM PnTX-G | |||||||
|---|---|---|---|---|---|---|---|---|
| RT (min) | ||||||||
| Average % drift |
4.75 2 |
5.92 1 |
||||||
| Fragment 1 | Fragment 2 | Fragment 3 | Precursor | Fragment 1 | Fragment 2 | Fragment 3 | Precursor | |
| Exact mass | 164.1434 | 444.3108 | 674.4415 | 692.4521 | 164.1434 | 458.3265 | 676.4572 | 694.4677 |
| Mass Accuracy (Δ ppm) | ||||||||
| Average | −0.3 | 0.1 | 0.4 | 0.5 | −0.4 | −0.5 | −0.1 | 0.1 |
| Max. | −2.0 | −1.6 | −0.9 | 0.7 | −1.7 | −1.8 | −1.4 | −1.6 |
| Ion Ratios | ||||||||
| % of Frag 1 intensity | 100 | 53 | 50 | 94 | 69 | 100 | ||
| % difference | 19 | 23 | 22 | 15 | ||||