Monosaccharide List for
Mass Spectrometry [ MS, MS/MS and MSn ] (1/2)
Name
D-Xylose
Symbol 2)
1)
CAS No.
C5H8O4
C6H10O4
[250,0,0]
Hexosamines
Galactosamine GalNH2
D-Galactose
D-Glucose
[0,200,50]
Uronic acids (Acidic Sugars)
acid
[255,255,0]
D-Glucuronic
Acid
[0,0,250]
L-Iduronic
Acid
[0,200,50]
(C6H12O6)
C6H8O6
acid
(C6H10O7)
C6H8O6
GlcA
146.0579
164.0685
161.0688
150.129
146.141
164.156
161.156
132
Structure
HOCH2 O
OH
146
O
HO
CH3
HO
179.0794
161.0688
179.171
161.156
HO
CH2OH
O
OH
161.0688
179.0794
162.0528
180.0634
162.0528
179.171
161.156
179.171
161
162.140
180.155
162.140
161
162
162.0528
180.0634
162.0528
180.0634
176.0321
180.155
162.140
180.155
HO
HO
162.140
180.155
176.123
194.0427
176.0321
194.138
176.123
162
C6H8O6
194.0427
176.0321
364.207
176.123
180
176
HO
C6H8O6
[0,200,50]
(C6H10O7)
194.0427
176.0321
194.0427
194.138
176.123
194.138
CH2OH
O
OH
H,OH
CH2OH
HO
OH
HO
COOH
HO
O
OH
H,OH
OH
COOH
O
176
OH
H,OH
OH
194
O
COOH
HO
OH
H,OH
OH
COOH
194
176
194
H,OH
CH2OH
O
OH HO
HOCH2 O
194
176
H,OH
OH
162
[150,100,50]
(C6H10O7)
CH2OH
O
OH
180
162
H,OH
OH
HO
(C6H10O7)
CH2OH
O
OH H2N
180
180
H,OH
NH2
HO
180.0634
CH2OH
O
OH
179
179
H,OH
NH2
179
HO
179.0794
H,OH
OH
164
161
H,OH
OH
150
[0,0,250]
ManA
(1986-14-7)
150.0528
132.114
Nom.
Mass
[255,255,0]
(3402-98-0)
D-Mannuronic
(C6H12O6)
C6H10O5
GalA
IdoA
(C6H12O6)
C6H10O5
Fru
6556-12-3
(C6H12O6)
C6H10O5
Man
685-73-4
(C6H13NO5)
C6H10O5
57-48-7
D-Galacturonic
(C6H13NO5)
C6H11NO4
Glc
3458-28-4
D-Fructose
[0,0,250]
Gal
50-99-7
D-Mannose
C6H11NO4
ManNH2
59-23-4
Hexoses
(C6H13NO5)
GlcNH2
(2636-92-2)
(C6H12O5)
132.0423
Average
Mass 4)
[255,255,0]
(7535-00-4)
3416-24-8
Dark
Grey
C6H11NO4
D-
D-Mannosamine
(C5H10O5)
[250,100,0]
Fuc
2438-80-4
D-Glucosamine
Grey
Xyl
58-86-6
L-Fucose
[R,G,B]
Empir. Residual3) Monoiso.
4)
Formula
(Full 3)) Mass
Koichi Tanaka Laboratory of
Advanced Science and Technology
HO
O
OH HO
H,OH
Monosaccharide List for
Mass Spectrometry [ MS, MS/MS and MSn ] (2/2)
N-Acetyl hexosamines
Name
Symbol 2)
CAS No.
1)
N-Acetyl
galactosamine GalNAc
1811-31-0
N-Acetyl
glucosamine
[R,G,B]
Grey
C8H13NO5
N-Acetyl
ManNAc
mannosamine
(7772-94-3)
(C8H15NO6)
C8H13NO5
(C8H15NO6)
C8H13NO5
[0,200,50]
(C8H15NO6)
(C11H19NO8)
2-keto-3-deoxySialic Acids (Acidic Sugars)
KDN
(22594-61-2)
C9H14O8
[0,200,50]
w/ pattern
Light
grey w/
pattern
N-Glycolyl
Neu5Gc
neuraminic acid
203.0794
203
Structure
HO
CH2OH
O
OH
221.208
203.193
221.0899
203.0794
221.0899
293.1111
250.0689
(C9H16O9)
268.0794
[125,0,125] Dark
Grey
(C11H19NO9)
309.1060
C11H17NO9 307.0903
221.208
203.193
221.208
CH2OH
O
203
275.255
293.270
250.202
268.216
291.254
309.269
307.253
OH
203
275
HO
CH2OH
O
OH
CH2OH
O
HO
O
H,OH
NHCOCH3
CH(CH3)COOH
HO
250
H,OH
NHCOCH3
293
O
OH
OH
CH2OH
CH3CO
O
HN OH
291
OH
CH2OH
(C11H19NO10)
325.1009
325.268
COOH
OH
COOH
HO
309
HOCH2CO
O
HN OH
OH
CH2OH
[200,250,250]
(1113-83-3)
OH
HO
268
307
H,OH
NHCOCH3
221
221
H,OH
NHCOCH3
221
HO
C11H17NO8 291.0954
N-Acetyl
Neu5Ac
neuraminic acid (NANA)
131-48-6
221.0899
C11H17NO7 275.1005
(10597-89-4)
galactonononic acid
203.193
Nom.
Mass
[0,0,250]
N-Acetyl
muramic acid MurNAc
D-glycero-D-
203.0794
Average
Mass 4)
[255,255,0]
GlcNAc
7512-17-6
Empir. Residual3) Monoiso.
4)
Formula
(Full 3)) Mass
Koichi Tanaka Laboratory of
Advanced Science and Technology
OH
COOH
HO
325
1) http://www.commonchemistry.org/index.aspx
Modification
Methylate
Monoisotopic
Average
Nom.
14.027
42.037
79.979
14
42
80
80
Acetate
Phosphate
-H+CH2CHO
Sulfate
-H+SO3H
14.0157
42.0106
79.9663
79.9568
Free Reducing End 3)
+H+OH
18.0106
18.015
Reduced Reducing End 3)
+H+OH+2H
20.0262
20.031
Monoisotopic Mass
Average Mass
http://www.first-ms3d.jp/
Rev. 1.1 22/November/2010
-H+CH3
-H+PO3H2
2) Proteomics, Vol.9,
pp5398-5399(2009)
4) Element
80.063
H
1.00782504
1.0079
C
12.0000000
12.011
N
O
P
S
14.0030740
15.9949146
30.9737615
31.9720710
14.007
15.999
30.974
32.066
18
20
3)
Practical Mass Calculation
for Mass Spectrometer
H,
HO
S1
O
S2
O
Sn
OH,
H
Reducing End
[Oligosaccharide Mass of
S1S2 . . . Sn ] =
[ Residual Mass of S1 ] +
[ Residual Mass of S2 ] +
. . . . . . . . . . . . +
[ Residual Mass of Sn ] +
[ Mass of Reducing End ]
or
[ Full Mass of S1 ] +
[ Full Mass of S2 ] +
. . . . . . . . . +
[ Full Mass of Sn ]
- (n-1) x H2O