Table 5 |
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|
Masses and fragments of the masses of polar metabolites identified by means of LC-nanomate-Orbitrap. |
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|
Compound |
Parent mass(M+1)1 |
Neutral formula |
Deviation (mDa)1 |
Fragments1 |
|
|
||||
|
Proline |
116.07046 |
C5H9NO2 |
-0.145 |
70.0649 |
|
|
||||
|
86.0961 |
||||
|
Leucine/Isoleucine |
132.10191 |
C6H13NO2 |
0.005 |
69.0696 |
|
|
||||
|
72.0805 |
||||
|
Spermidine |
146.16503 |
C7H19N3 |
-0.144 |
112.1117 |
|
|
||||
|
158.0443 |
||||
|
N-acetyl-aspartate |
176.05542 |
C6H9NO5 |
0.091 |
134.0444 |
|
88.0390 |
||||
|
|
||||
|
165.0542 |
||||
|
Tyrosine |
182.08118 |
C9H11NO3 |
0.010 |
136.0754 |
|
119.0489 |
||||
|
|
||||
|
72.0806 |
||||
|
Acetyl spermidine |
188.17580 |
C9H21N3O |
0.061 |
17.1019 |
|
171.1487 |
||||
|
|
||||
|
188.0702 |
||||
|
L-tryptophan |
205.09717 |
C11H12N2O2 |
0.016 |
146.0597 |
|
118.0648 |
||||
|
|
||||
|
193.0339 |
||||
|
Citric acid (NH4+) |
210.0606 |
C6H8O7 (+NH3) |
0.002 |
175.0233 |
|
129.0179 |
||||
|
|
||||
|
173.0804 |
||||
|
Propionylcarnitine |
218.13869 |
C10H19NO4 |
0.005 |
155.0699 |
|
|
||||
|
202.1070 |
||||
|
Pantothenic acid |
220.11792 |
C9H17NO5 |
-0.029 |
184.0963 |
|
90.0547 |
||||
|
|
||||
|
100,0754 |
||||
|
Unknown2 |
230.18622 |
C11H24O2N3 |
-0.084 |
183.1121 |
|
213.1520 |
||||
|
|
||||
|
173.0802 |
||||
|
Butyrylcarnitine |
232.15416 |
C11H21NO4 |
-0.175 |
85.0281 |
|
|
||||
|
Unknown2 |
250.03784 |
C6H12O3N4P2 |
-0.075 |
--- |
|
|
||||
|
Unknown2 |
258.11020 |
C8H20O6NP |
0.100 |
104.1067 |
|
C7H14ON8P |
0.104 |
|||
|
|
||||
|
179.0414 |
||||
|
162.0216 |
||||
|
Glutathione reduced |
308.09103 |
C10H17N3O6S |
-0.052 |
144.0110 |
|
116.0161 |
||||
|
|
||||
|
UMP |
325.04318 |
C9H13N2O9P |
0.037 |
97.0281 |
|
|
||||
|
C10H14N5O7P |
0.001 |
136.0615 |
||
|
AMP |
348.07036 |
119.0349 |
||
|
|
||||
|
296.0650 |
||||
|
Unknown |
425.10794 |
--- |
--- |
350,0753 |
|
|
||||
|
UDP-N-acetyl-galactosamine/glucosamine2 |
608.08866 |
C17H27N3O17P2 |
-0.186 |
405.0079 |
|
204.0861 |
||||
|
|
||||
|
Glutathione oxidized |
613.15906 |
C20H32N6O12S2 |
-0.178 |
--- |
|
|
||||
|
1Experimental value obtained in our measurements 2Tentatively assigned formula(e) and/or identification |
||||
|
Ruiz-Aracama et al. BMC Genomics 2011 12:251 doi:10.1186/1471-2164-12-251 |
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