Table 1.
Analyte | Positive Ions | Negative Ions | ||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
|
|
|||||||||||||||
[M+H]+ (Da)a | FIA DTCCSN2 (Å2)b | DI DTCCSN2(Å2)c | % Diffd | [M-H]− (Da)a | FIA DTCCSN2 (Å2)b | DI DTCCSN2(Å2)c | % Diffd | |||||||||
|
|
|
|
|||||||||||||
Avg. | σ | %RSD | Avg. | σ | %RSD | Avg. | σ | %RSD | Avg. | σ | %RSD | |||||
|
|
|
|
|
|
|
|
|
||||||||
Acetaminophen | 152.07 | 131.84 | 0.45 | 0.34 | 132.01 | 0.35 | 0.26 | 0.13 | 150.06 | 134.48 | 0.07 | 0.05 | 134.16 | 0.11 | 0.08 | −0.24 |
| ||||||||||||||||
Caffeine | 195.09 | 141.68 | 0.16 | 0.11 | 141.27 | 0.25 | 0.18 | −0.29 | – | – | – | – | – | – | – | – |
| ||||||||||||||||
Sulfaguanidine | 215.06 | 150.18 | 0.18 | 0.12 | 149.60 | 0.26 | 0.17 | −0.39 | 213.04 | 149.51 | 0.10 | 0.07 | 149.41 | 0.14 | 0.09 | −0.07 |
| ||||||||||||||||
Sulfadimethoxine | 311.08 | 170.57 | 0.21 | 0.12 | 170.16 | 0.20 | 0.12 | −0.24 | 309.07 | 172.61 | 0.09 | 0.05 | 172.38 | 0.18 | 0.11 | −0.13 |
| ||||||||||||||||
Val-Tyr-Val | 380.22 | 192.97 | 0.34 | 0.18 | 192.34 | 0.20 | 0.11 | −0.33 | 378.20 | 194.52 | 0.12 | 0.06 | 194.64 | 0.15 | 0.08 | 0.06 |
| ||||||||||||||||
Verapamil | 455.29 | 208.66 | 0.46 | 0.22 | 208.74 | 0.38 | 0.18 | 0.04 | – | – | – | – | – | – | – | – |
| ||||||||||||||||
Terfenadine | 472.32 | 227.37 | 0.46 | 0.20 | 227.93 | 0.43 | 0.19 | 0.25 | – | – | – | – | – | – | – | – |
| ||||||||||||||||
Leucine-Enkephalin | 556.28 | 230.02 | 0.40 | 0.18 | 229.86 | 0.38 | 0.16 | −0.07 | 554.26 | 223.81 | 0.12 | 0.06 | 224.26 | 0.16 | 0.07 | 0.20 |
| ||||||||||||||||
Reserpine | 609.28 | 251.69 | 0.39 | 0.15 | 252.18 | 0.54 | 0.22 | 0.20 | 607.27 | 266.22 | 0.20 | 0.07 | 266.49 | 0.25 | 0.09 | 0.10 |
The average (Avg.), standard deviation of the mean (σ), and percent relative standard deviation (%RSD) of CCS values reported for N = 18 measurements.
Exact mass of the protonated or deprotonated ion.
Flow injection analysis (FIA) CCS values.
Direct infusion (DI) CCS values.
Percent difference between average FIA and DI CCS values.