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Table 1 Computer-assisted assignment of the major peaks detected in KLM3 sample by the negative ion nanoESI IMS oa-TOF MS

From: Identification of Monosialylated N-glycoforms in the CDG Urinome by Ion Mobility Tandem Mass Spectrometry: The Potential for Clinical Applications

No. [M-H]- [M-2H]2- [M-3H]3- Proposed Composition MWf Referencesg
1 496.18    HexHexNAcAsn 497.19
2 544.20    Hex2HexNAc 545.20 i
3 602.21a    HexHexNAcThrPro 581.24
4 599.21    NeuAc2 600.20
5 632.21    NeuAcHex2 633.21 [16, 17]
6 655.23b    NeuAcHexHexNAc 674.24 [1623]
673.22
7 714.26    NeuAcHexNAc2 715.27 i
8 769.26a    Hex2HexNAc2 748.27 [24, 25]
9 760.27    NeuAcHexHexNAcSer 761.27 [2628]
764.25c
10 774.29    NeuAcHexHexNAcThr 775.29 [2628]
778.26c
11 809.25b    Hex5 828.27
12 819.29    NeuAcdHexHexHexNAc 820.30 h
13 835.29    NeuAcHex2HexNAc 836.29 [29]
14 873.34 436.16   dHexHexNAc3Thr 874.35
15 876.30    NeuAcHexHexNAc2 877.32 [19, 30]
16   481.66   NeuAc2HexHexNAc 965.33 [16, 1923, 2628, 31, 32]
17 981.34    NeuAcdHexHex2HexNAc 982.35 i
18 997.33    NeuAcHex3HexNAc 998.34 i
19 1038.36    NeuAcHex2HexNAc2 1039.37 [19, 22, 33]
20 1079.39    NeuAcHexHexNAc3 1080.40 i
21 1125.38 562.19   NeuAcHex2HexNAc2Ser 1126.40
22 1143.38    NeuAcdHexHex3HexNAc 1144.40
23 1152.41 575.69   NeuAc2HexHexNAcSerThr 1153.41
24 1184.42 609.68d   NeuAcdHexHex2HexNAc2 1185.43 i
25 1200.42 617.69d   NeuAcHex3HexNAc2 1201.42 [10, 17]
26 1241.45    NeuAcHex2HexNAc3 1242.45 i
27 1362.47 680.72   NeuAcHex4HexNAc2 1363.48 [10, 11]
698.71d
28 1369.49b    NeuAcdHexHex2HexNAc3(-H2O) 1388.51 i
29 1403.49 719.22d   NeuAcHex3HexNAc3 1404.50 i
30   744.75b   NeuAcdHexHex4HexNAc2 1509.53
31   758.25   NeuAcHex3HexNAc3Asn 1518.54
32 1565.57 800.24d   NeuAcHex4HexNAc3 1566.55 [10, 34, 35]
33   803.76e   NeuAcdHexHex2HexNAc4 1591.59
812.75d
34   839.29   NeuAcHex4HexNAc3Asn 1680.60
35 1727.60 881.27d   NeuAcHex5HexNAc3 1728.61 [10, 11, 34, 35]
36 1768.64    NeuAcHex4HexNAc4 1769.63 h
37 1930.65 982.81d   NeuAcHex5HexNAc4 1931.69 [13, 34, 36]
38   974.88   NeuAcdHexHex3HexNAc4ThrPro 1951.74
39    675.57 NeuAcdHexHex4HexNAc4Asn 2029.74
40   1055.85d   NeuAcdHexHex5HexNAc4 2077.74 [13, 36]
41   1094.86   NeuAcdHexHex5HexNAc4Asn 2191.79
42   1150.92   NeuAcdHexHex4HexNAc6 2303.84
43    791.94 NeuAcHex4HexNAc7 2378.87
NeuAcdHex2Hex4HexNAc5Asn 2378.87
44    797.27 NeuAcdHexHex5HexNAc5Asn 2394.87
45   1199.93   NeuAcdHexHex7HexNAc4 2401.85
46    845.96 NeuAcHex5HexNAc7 2540.93
NeuAcdHex2Hex5HexNAc5Asn 2540.93
47    913.66 NeuAcHex5HexNAc8 2744.00
NeuAcdHex2Hex5HexNAc6Asn 2744.00
48    967.67 NeuAcHex6HexNAc8 2906.06
NeuAcdHex2Hex6HexNAc6Asn 2906.06
  1. a[M-2H+Na]-
  2. b[M(-H2O)-H]-
  3. c[M(-H2O)-2H+Na]-
  4. d[M-H+Cl]2-
  5. e[M(-H2O)-H+Cl]2-
  6. fCalculated molecular weight of the proposed composition.
  7. gReferences are related to glycoconjugates previously found in Homo sapiens urine as free molecular species or as glycans obtained by protein deglycosylation.
  8. hGlycoconjugates found in different organs from Homo sapiens urogenital system, besides urine.
  9. iGlycoconjugates found in Homo sapiens from systems other than urogenital.