TABLE 5.
Major Fragments of 4-O-Benzyl GlcN Sulfoforms by ESI-MS/MS With CID
| compd | mass loss or ions formed (m/z)a | rel abund (%)b | cleavage patterns |
|---|---|---|---|
| 2a c | SO3− (80) | 4.3 |  |
| HOSO3− (97) | 22.3 | ||
| 3,5A (243) | 8.9 | ||
| B-H2O (354) | 1.8 | ||
| B (372) | 44.1 | ||
| 3a d | SO3− (80) | 11.6 |  |
| HOSO3− (97) | 100 | ||
| B-H2O (354) | 3.7 | ||
| B (372) | 2.1 | ||
| 4a e | SO3− (80) | 16.0 |  |
| HSO3− (81) | 9.5 | ||
| H2NSO3− (96) | 22.3 | ||
| HOSO3− (97) | 2.9 | ||
| 1,3A (137, 138) | 14.5, 4.5 | ||
| 0,2X (182) | 14.7 | ||
| Z (284) | 10.8 | ||
| B (330) | 6.4 | ||
| 7a f | SO3− (80) | 14.1 |  |
| H2NSO3− (96) | 3.6 | ||
| HOSO3− (97) | 24.8 | ||
| 0,2X (182) | 1.6 | ||
| B2- (204.5) | 2.6 | ||
| 3,5A (243) | 3.1 | ||
| [M-2H-97]− (374) | 5.0 | ||
| [M-2H-96]− (375) | 2.3 | ||
| 6a f | SO3− (80) | 37.6 |  |
| H2NSO3− (96) | 6.2 | ||
| HOSO3− (97) | 100.0 | ||
| Z & 1,5A (174, 176) g | 5.9, 3.9 | ||
| Z & extrusion (191) g | 6.2 | ||
| Z & C (221) g | 5.0 | ||
| Z & extrusion (253) g | 5.2 | ||
| [M-2H-97]− (374) | 43.7 |
a
Derived from parent ion [M-H]− or [M-2H]2- as described in Figure 4.
b
Relative abundance based on parent ion peak, except 3a and 6a.
c
CID at 380 mV, 80.39 KHz (10 ms).
d
CID at 330 mV, 80.39 KHz (10 ms).
e
CID at 350 mV, 89.04 KHz (10 ms).
f
CID at 220 mV, 149.22 KHz (10 ms).
g
See Scheme 3 for mechanistic details.