Table 1.
Topology Analysis by GlycoDeNovo on EED (16 eV) Spectra of Me-PRAGS-Labeled Glycansa
| glycan | no. Peaks | no. interpretable | no. candidates | rank by SPN | rank by IC | IC score no. 1 | IC score no. 2 |
| LNFP I | 186 (77) | 30 | 16 | 1 (1) | 1 (0) | 273.56 | 240.73 |
| LNFP II | 203 (81) | 35 | 23 | 1(11) | 1 (0) | 303.01 | 244.55 |
| LNFP III | 157 (67) | 26 | 16 | 1 (4) | 1 (0) | 313.55 | 262.32 |
| LNFP V | 216 (85) | 35 | 16 | 1 (9) | 1 (0) | 213.68 | 156.47 |
| LNFP VI | 199 (81) | 40 | 16 | 1 (4) | 1 (0) | 189.68 | 93.89 |
| LamHex | 227 (98) | 13 | 11 | 1 (0) | 1 (0) | 337.98 | 318.02 |
| MalHex | 251 (105) | 71 | 11 | 1 (0) | 1 (0) | 328.99 | 274.13 |
| IsomalHex | 152 (67) | 10 | 11 | 1 (0) | 1 (0) | 264.93 | 241.41 |
The “no. peaks” column lists the peak number in each enriched spectrum with the number of complementary peaks inside parentheses. The “no. interpretable” column lists the number of peaks that are interpreted as non-reducing-end glycosidic fragments. The “no. candidates” column lists the number of reconstructed topology candidates. The “rank by SPN” and “rank by IC” columns list the ranks of the true topologies among all candidates by their supporting peak counts and by IonClassifier, respectively. Numbers in parentheses indicate the number of candidate structures that are ranked as high as the true topology. The last two columns list the IonClassifier scores of the top two-ranked candidate topologies.