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. 2014 Oct 10;14(1):491–502. doi: 10.1021/pr500759e

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
a

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.