Table 2.
m/z values of the fragment ions generated by CID MS/MS experiment in Figure 7 on the trisulfated hexasaccharide detected at m/z 470.714 in the IMS MS and their structure assignment. nS denotes the number of sulfate groups in fragment ions. a Regular sequence ions; b Oversulfated fragment ions.
| m/z | Charge State | Structure | The Type of Ion for the Structure in | |
|---|---|---|---|---|
| Figure 8a | Figure 8b | |||
| 96.964 | 1 | HOSO3 | ||
| 115.011 | 1 | GalNAc | 2,5X0 | |
| 157.027 | 1 | 4,5-Δ-GlcA | B1 | |
| 175.036 | 1 | 4,5-Δ-GlcA | C1 | |
| 193.050 | 1 | IdoA (0S) | Y2/Z1 or Y4/Z3 | |
| 199.006 | 1 | GalNAc (1S) | 0,2A6/B5 or0,2A4/B3 | |
| 237.544 | 1 | IdoA (1S) b | Z2/Y1 | Z4/Y3 |
| 282.045 | 1 | GalNAc (1S) a | Z1 | Z5/Z4 |
| 300.061 | 1 | GalNAc (1S) a | Y1 | Y5/Z4 |
| 307.559 | 2 | IdoAGalNAcIdoA (1S) a | Z4/Y1 | B3 |
| 343.318 | 1 | IdoAGalNAc (1S) a | 0,2X1 | 2,5A2 |
| 379.076 | 2 | GalNAcIdoAGalNAc (2S) a | Y3 | Z5/Z2 |
| 405.413 | 3 | GalNAcIdoAGalNAcIdoAGalNAc (3S) a | Y5 | |
| 418.068 | 3 | GalNAcIdoAGalNAcIdoAGalNAc (3S) a | Y5+K | |
| 432.071 | 3 | GalNAcIdoAGalNAcIdoAGalNAc (3S) a | 2,5A6 +K | |
| 440.079 | 1 | 4,5-Δ-GlcAGalNAc (1S) or IdoAGalNAc (1S) a | Z4/Y2 | B2 |
| 444.092 | 3 | GlcAGalNAcIdoAGalNAcIdoAGalNAc (3S) a | 1,5A6 | 1,5A6 |
| 454.023 | 1 | IdoAGalNAc (2S) b | 0,3X1 | 0,3X3/Z2 |
| 458.090 | 3 | GlcAGalNAcIdoAGalNAcIdoAGalNAc (3S) a | [M-3H]3− | |
| 468.062 | 2 | IdoAGalNAcIdoAGalNAc (2S) a | Y4 | |
| 470.714 | 3 | 4,5-Δ-GlcAGalNAcIdoAGalNAcIdoAGalNAc (3S) a | [M-4H+K]3− | |
| 476.100 | 1 | IdoAGalNAc (1S) a | Y4/Z2 | Y3/Z1 orY4/Z2 |
| 498.077 | 2 | IdoAGalNAcIdoAGalNAc (3S) b | Z4 | C4 |
| 507.085 | 2 | IdoAGalNAcIdoAGalNAc (3S) b | Y4 | Y5/Z1 |
| 538.054 | 1 | 4,5-Δ-GlcAGalNAcIdoA (0S) | B3 | |
| IdoAGalNAc (2S) b | Z2 | Y4/Y2 | ||
| 543.091 | 2 | GalNAcIdoAGalNAcIdoAGalNAc (3S) a | 1,4X4 | |
| 556.085 | 2 | 4,5-Δ-GlcAGalNAcIdoAGalNAcIdoA (2S) a | B5 +K | |
| 565.092 | 2 | 4,5-Δ-GlcAGalNAcIdoAGalNAcIdoA (2S) a | C5 +K | |
| 568.065 | 2 | GalNAcIdoAGalNAcIdoAGalNAc (2S) | Y5 | |
| 608.625 | 2 | GalNAcIdoAGalNAcIdoAGalNAc (3S) a | Y5 | |
| 612.035 | 1 | IdoAGalNAcIdoA (2S) b | 1,4A5/C2 | 1,4A3 |
| 616.126 | 1 | 4,5-Δ-GlcAGalNAcIdoA (1S) a IdoAGalNAcIdoA (1S) a |
- Z4/Y1 |
B3 Z4/Y1 |
| 622.627 | 2 | 4,5-Δ-GlcAGalNAcIdoAGalNAcIdoAGalNAc (3S) a | 1,5X5 | |
| 627.595 | 2 | GalNAcIdoAGalNAcIdoAGalNAc (3S) a | Y5+K | |
| 630.071 | 2 | 4,5-Δ-GlcAGalNAcIdoAGalNAcIdoAGalNAc (3S) a | 2,5A6 | |
| 648.613 | 2 | GalNAcIdoAGalNAcIdoAGalNAc (3S) a | 2,5A6 +K | |
| 654.075 | 1 | IdoAGalNAcIdoA (1S) a | Z4/Y1+K | B3+K |
| 779.097 | 1 | GalNAcIdoAGalNAc (3S) b | 2,4X2 | 2,4X4/Y2 |
| 797.109 | 1 | GalNAcIdoAGalNAc (2S) a | Y3+K | Y5/Z2+K |
| 821.112 | 1 | GalNAcIdoAGalNAc (3S) b | Z3 | Y5/Y2 |
| 839.132 | 1 | GalNAcIdoAGalNAc (3S) b | Y3 | Y5/Z2 |
| 857.169 | 1 | 4,5-Δ-GlcAGalNAcIdoAGalNAc (1S) | B4+K | B4+K or Y5/Y1+K |
| 875.179 | 1 | 4,5-Δ-GlcAGalNAcIdoAGalNAc (1S) | C4+K | C4+K or Y5/Z1+K |
| 911.152 | 1 | IdoAGalNAcIdoAGalNAc (3S) b | 0,3X3 | C4/0,3A1 |
| 917.187 | 1 | IdoAGalNAcIdoAGalNAc (2S) a | Z4 | Z4 |
| 955.139 | 1 | IdoAGalNAcIdoAGalNAc (3S) b IdoAGalNAcIdoAGalNAc (2S) a |
2,4X3 Z4+K |
2,4X4/Z1 Z4+K |
| 997.154 | 1 | IdoAGalNAcIdoAGalNAc (3S) b | Z4 | Y5/Y1 |