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. 2019 May 14;17(5):291. doi: 10.3390/md17050291

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))
Inline graphic Rha, Inline graphic GlcA (or IdoA) (c) Inline graphic Glc (or Gal) (c), Inline graphic Xyl
S = Sulfate Group
Experimental Value Predicted Value Resolution (ppm)
1 1561.3492 1561.3516 1.54 [M − H] C54H81O50S graphic file with name marinedrugs-17-00291-i005.jpg
2 1561.3492 1561.3516 1.54 [M − H] C54H81O50S graphic file with name marinedrugs-17-00291-i006.jpg
3 1723.4083 1723.4045 2.20 [M − H] C60H91O55S graphic file with name marinedrugs-17-00291-i007.jpg
4 1839.4554 1839.4518 1.95 [M − H] C65H99O58S graphic file with name marinedrugs-17-00291-i008.jpg
5 401.0385 401.0390 1.25 [M − H − H2O] C12H17O13S graphic file with name marinedrugs-17-00291-i009.jpg
6 502.9772 502.9777 0.99 [M − 2H − H2O + Na] C12H16O16S2Na graphic file with name marinedrugs-17-00291-i010.jpg
7 604.9165 604.9165 0.00 [M − 3H − H2O + 2Na] C12H15O19S3Na2 graphic file with name marinedrugs-17-00291-i011.jpg
8 706.8561 706.8553 1.13 [M − 4H − H2O + 3Na] C12H14O22S4Na3 graphic file with name marinedrugs-17-00291-i012.jpg

(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.