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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

[16–23]

673.22

7

714.26

  

NeuAcHexNAc2

715.27

i

8

769.26a

  

Hex2HexNAc2

748.27

[24, 25]

9

760.27

  

NeuAcHexHexNAcSer

761.27

[26–28]

764.25c

10

774.29

  

NeuAcHexHexNAcThr

775.29

[26–28]

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, 19–23, 26–28, 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.
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Clinical Proteomics

ISSN: 1559-0275