Table 1. Nominal Masses, Monoisotopic Masses, and Compositions of the Reduced HMOs Observed in Infants A and Ba.
reduced glycan, M |
monosaccharide
composition |
elemental composition |
[M + Na]+ ion | ||||||||
---|---|---|---|---|---|---|---|---|---|---|---|
no. | nominal mass | monoisotopic mass | Hex | HexNAc | Fuc | NeuAc | C | H | N | O | monoisotopic mass |
1 | 709 | 709.2641 | 3 | 1 | 0 | 0 | 26 | 47 | 1 | 21 | 732.2533 |
2 | 855 | 855.3220 | 3 | 1 | 1 | 0 | 32 | 57 | 1 | 25 | 878.3112 |
3 | 1001 | 1001.3799 | 3 | 1 | 2 | 0 | 38 | 67 | 1 | 29 | 1024.3691 |
4 | 1074 | 1074.3963 | 4 | 2 | 0 | 0 | 40 | 70 | 2 | 31 | 1097.3855 |
5 | 1148 | 1147.4378 | 3 | 1 | 3 | 0 | 44 | 77 | 1 | 33 | 1170.4270 |
6 | 1221 | 1220.4542 | 4 | 2 | 1 | 0 | 46 | 80 | 2 | 35 | 1243.4434 |
7 | 1367 | 1366.5121 | 4 | 2 | 2 | 0 | 52 | 90 | 2 | 39 | 1389.5013 |
8 | 1440 | 1439.5285 | 5 | 3 | 0 | 0 | 54 | 93 | 3 | 41 | 1462.5177 |
9 | 1513 | 1512.5700 | 4 | 2 | 3 | 0 | 58 | 100 | 2 | 43 | 1535.5592 |
10 | 1586 | 1585.5864 | 5 | 3 | 1 | 0 | 60 | 103 | 3 | 45 | 1608.5756 |
11 | 1732 | 1731.6443 | 5 | 3 | 2 | 0 | 66 | 113 | 3 | 49 | 1754.63349 |
12 | 1805 | 1804.6607 | 6 | 4 | 0 | 0 | 68 | 116 | 4 | 51 | 1827.6499 |
13 | 1878 | 1877.7022 | 5 | 3 | 3 | 0 | 72 | 123 | 3 | 53 | 1900.6914 |
14 | 1951 | 1950.7186 | 6 | 4 | 1 | 0 | 74 | 126 | 4 | 55 | 1973.7078 |
15 | 2097 | 2096.7765 | 6 | 4 | 2 | 0 | 80 | 136 | 4 | 59 | 2119.7657 |
The monoisotopic masses of the [M + Na]+ precursor ion, the commonly observed ion in MALDI FT-ICR MS, are also shown. Hex, hexose; HexNAc, N-acetylhexosamine; Fuc, fucose; NeuAc, N-acetylneuraminic acid.