Table 1.
Average DTCCSN2 values of B1 and B3 ions of compounds 1–24 (n = 3)
| Compound | Sialic acid | Sialic acid linkage | Acetyl ester position | m/z B1-ion | m/z B3-ion | CCS B1-ion (Å2) | CCS B3-ion (Å2) |
|---|---|---|---|---|---|---|---|
| 1 | Neu5Ac | α2,3 | 9 | 334.1134 | 699.2450 | 174.77(±0.05) | 248.26(±0.08) |
| 2 | Neu5Ac | α2,6 | 9 | 334.1134 | 699.2450 | 174.82(±0.06) | 238.48(±0.04) |
| 3 | Neu5Ac | α2,3 | 7 | 334.1134 | 699.2450 | 173.34(±0.02) | 250.74(±0.07) |
| 4 | Neu5Ac | α2,6 | 7 | 334.1134 | 699.2450 | 173.23(±0.04) | 238.38(±0.11) |
| 5 | Neu5Ac | α2,3 | 4 | 334.1134 | 699.2450 | 171.90(±0.01) | 253.59(±0.02) |
| 6 | Neu5Ac | α2,6 | 4 | 334.1134 | 699.2450 | 171.91(±0.08) | 242.24(±0.15) |
| 7 | Neu5Ac | α2,3 | 7,9 | 376.1243 | 741.2561 | 183.53(±0.07) | 258.75(±0.06) |
| 8 | Neu5Ac | α2,6 | 7,9 | 376.1243 | 741.2561 | 183.36(±0.02) | 246.26(±0.08) |
| 9 | Neu5Ac | α2,3 | 4,9 | 376.1243 | 741.2561 | 184.48(±0.04) | 259.88(±0.11) |
| 10 | Neu5Ac | α2,6 | 4,9 | 376.1243 | 741.2561 | 184.29(±0.03) | 248.73(±0.08) |
| 11 | Neu5Ac | α2,3 | 4,7,9 | 418.1348 | 783.2663 | 191.52(±0.05) | 265.83(±0.04) |
| 12 | Neu5Ac | α2,6 | 4,7,9 | 418.1348 | 783.2663 | 191.52(±0.06) | 254.13(±0.02) |
| 13 | Neu5Gc | α2,3 | 9 | 350.1090 | 715.2401 | 179.30(±0.11) | 253.37(±0.03) |
| 14 | Neu5Gc | α2,6 | 9 | 350.1090 | 715.2401 | 179.30(±0.05) | 242.17(±0.12) |
| 15 | Neu5Gc | α2,3 | 7 | 350.1090 | 715.2401 | 176.69(±0.11) | 253.37(±0.03) |
| 16 | Neu5Gc | α2,6 | 7 | 350.1090 | 715.2401 | 176.89(±0.06) | 241.62(±0.07) |
| 17 | Neu5Gc | α2,3 | 4 | 350.1090 | 715.2401 | 176.30(±0.05) | 257.20(±0.03) |
| 18 | Neu5Gc | α2,6 | 4 | 350.1090 | 715.2401 | 176.42(±0.23) | 244.93(±0.01) |
| 19 | Neu5Gc | α2,3 | 7,9 | 392.1192 | 757.2510 | 187.02(±0.03) | 261.56(±0.09) |
| 20 | Neu5Gc | α2,6 | 7,9 | 392.1192 | 757.2510 | 186.98(±0.07) | 247.88(±0.02) |
| 21 | Neu5Gc | α2,3 | 4,9 | 392.1192 | 757.2510 | 188.31(±0.06) | 263.43(±0.09) |
| 22 | Neu5Gc | α2,6 | 4,9 | 392.1192 | 757.2510 | 188.25(±0.05) | 251.71(±0.05) |
| 23 | Neu5Gc | α2,3 | 4,7,9 | 434.1293 | 799.2594 | 195.12(±0.11) | 268.92(±0.02) |
| 24 | Neu5Gc | α2,6 | 4,7,9 | 434.1293 | 799.2594 | 195.22(±0.07) | 254.64(±0.06) |