Table 2.
Oligosaccharide sequences identified by ultra high pressure liquid chromatography-mass spectrometry untargeted in-source fragmentation (UHPLC-MS2) from ULVAN-01 (sequences 1–4 [48]) and ULVAN-02 (sequences 5–8).
| Oligosaccharide Sequence | Ion (m/z) | Ionization | Molecular Formula | Symbolic Representation of Oligosaccharide Fragments (a) (CFG Nomenclature (b)) Rha, GlcA (or IdoA) (c)
Glc (or Gal) (c), XylS = Sulfate Group |
||
|---|---|---|---|---|---|---|
| Experimental Value | Predicted Value | Resolution (ppm) | ||||
| 1 | 1561.3492 | 1561.3516 | 1.54 | [M − H]− | C54H81O50S |
|
| 2 | 1561.3492 | 1561.3516 | 1.54 | [M − H]− | C54H81O50S |
|
| 3 | 1723.4083 | 1723.4045 | 2.20 | [M − H]− | C60H91O55S |
|
| 4 | 1839.4554 | 1839.4518 | 1.95 | [M − H]− | C65H99O58S |
|
| 5 | 401.0385 | 401.0390 | 1.25 | [M − H − H2O]− | C12H17O13S |
|
| 6 | 502.9772 | 502.9777 | 0.99 | [M − 2H − H2O + Na]− | C12H16O16S2Na |
|
| 7 | 604.9165 | 604.9165 | 0.00 | [M − 3H − H2O + 2Na]− | C12H15O19S3Na2 |
|
| 8 | 706.8561 | 706.8553 | 1.13 | [M − 4H − H2O + 3Na]− | C12H14O22S4Na3 |
|
(a) Identified ions correspond to oligosaccharide fragments derived from untargeted fragmentation in the ionization source of the mass spectrometer; (b) Consortium for Functional Glycomics. Symbolic representations were obtained using Glycoworkbench software [52]; (c) GlcA and IdoA residues, as well as Glc and Gal, are isomers and therefore cannot be distinguished by MS analysis: symbols used for GlcA et Glc can thus correspond to IdoA and Gal, respectively, two monosaccharides that can be found in ulvans but in smaller proportions.
Rha,
GlcA (or IdoA) (c)
Glc (or Gal) (c),
Xyl