Table 2.
m/z values for the peaks in the mass spectra and their deduced structures
| Complex (M + H)+ | Saccharide (observed) | Deduced structure | Mass (calculated) |
|---|---|---|---|
| 6999.3 | 2770.2 | ΔU2SHNS,6SI2SHNS,6SI2SHNS,6SIHNAc,6SGHNS,3S,6S (Fig. 1) | 2769.3 |
| 6919.2 | 2690.1 | ΔU2SHNS,6SI/GHNS,6SI2SHNS,6SIHNAc,6SGHNS,3S,6S (Fig. 1) | 2689.2 |
| 6899.6 | 2673.0 | ΔU2SHNS,6SI2SHNS,6SI2SHNS,6SIHNAc,6SGMan3S,6S (Fig. 6) | 2672.2 |
| 6435.8 | 2209.2 | I2SHNS,6SI2SHNS,6SIHNAc,6SGHNS,3S,6S (Fig. 6) | 2209.8 |
| 6419.7 | 2192.2 | ΔU2SHNS,6SI2SHNS,6SIHNAc,6SGHNS,3S,6S (Fig. 2A) | 2191.8 |
| 6339.8 | 2113.2 | I2SHNS,6SI2SHNS,6SIHNAc,6SGMan3S,6S (Fig. 6) | 2112.7 |
| 5899.9 | 1671.4 | ΔU2SHNS,6SIHNAc,6SGHNS,3S,6Sd (mass tagged, Fig. 2C) | 1670.4 |
| 5859.8 | 1633.2 | I2SHNS,6SIHNAc,6SGHNS,3S,6S (Fig. 6) | 1632.3 |
| 5842.1, 5842.2, 5843.6 | 1614.6, 1614.4, 1615.1 | ΔU2SHNS,6SIHNAc,6SGHNS,3S,6S (Fig. 2A–C) | 1614.3 |
| 5383.1, 5382.5 | 1155.6, 1154.0 | ΔU2SHNS,6SI2SHNS,6S (Fig. 2A and C) | 1154.9 |
| 5301.7 | 1073.9 | ΔU2SHNS,6SI/GHNS,6S (Fig. 2B) | 1074.9 |
| 5284.5 | 1057.9 | ΔU2SHNS,6SI2SMan6S (Fig. 6) | 1057.8 |
| 5241.5 | 1013.8 | IHNAc,6SGMan3S,6Sd (mass tagged, Fig. 4) | 1013.9 |
| 5186.5 | 958.8 | IHNAc,6SGMan3S,6S (Fig. 4) | 957.8 |
| 5007.8 | 780.8 | HNAc,6SGMan3S,6S (Fig. 4) | 780.7 |
| 4805.2, 4805.3, 4805.2 | 577.7, 577.5, 576.7 | ΔU2SHNS,6S (Fig. 2A–C) | 577.5 |
Shown in column 1 is the m/z value of the protonated 1:1 complex of the saccharide and the basic peptide (RG)19R. Column 2 shows the observed mass of the saccharide obtained by subtracting the value of the protonated peptide observed in the spectrum from the protonated 1:1 complex. The deduced chemical structures of the saccharides for the corresponding peaks in the mass spectra are shown in column 3. Shown in column 4 are the theoretical masses calculated for the deduced structures. Note that the observed mass (column 2) is always within ± 1 Da of the calculated mass (column 4). d represents the semicarbazide mass tag (Δ = 56.1 Da).