Mercurial > repos > genouest > gcms2isocor

comparison test-data/input_isocor.tsv @ 0:240ec5e4b0be draft

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"planemo upload commit 41761a4c85f45ca0467c87ee55d420eb060e09dd"
author genouest
date Tue, 05 Oct 2021 12:27:48 +0000
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comparison
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-1:000000000000 0:240ec5e4b0be
1 sample metabolite derivative isotopologue area resolution
2 13CPROT1 Glyoxylate (1MEOX) TMS 1 0 388 2000
3 13CPROT1 Glyoxylate (1MEOX) TMS 1 1 238 2000
4 13CPROT1 Glyoxylate (1MEOX) TMS 1 2 73 2000
5 13CPROT1 Pyruvate(1MEOX) C1-C3 TMS 1 0 579 2000
6 13CPROT1 Pyruvate(1MEOX) C1-C3 TMS 1 1 32 2000
7 13CPROT1 Pyruvate(1MEOX) C1-C3 TMS 1 2 107 2000
8 13CPROT1 Pyruvate(1MEOX) C1-C3 TMS 1 3 167 2000
9 13CPROT1 Glycolate TMS 2 0 936 2000
10 13CPROT1 Glycolate TMS 2 1 386 2000
11 13CPROT1 Glycolate TMS 2 2 113 2000
12 13CPROT1 Alaninealpha C2-C3 TMS 2 0 152712 2000
13 13CPROT1 Alaninealpha C2-C3 TMS 2 1 304725 2000
14 13CPROT1 Alaninealpha C2-C3 TMS 2 2 180342 2000
15 13CPROT1 Valine C1-C2 TMS 2 0 9746 2000
16 13CPROT1 Valine C1-C2 TMS 2 1 23521 2000
17 13CPROT1 Valine C1-C2 TMS 2 2 16106 2000
18 13CPROT1 Valine C2-C5 TMS 2 0 29912 2000
19 13CPROT1 Valine C2-C5 TMS 2 1 106928 2000
20 13CPROT1 Valine C2-C5 TMS 2 2 157843 2000
21 13CPROT1 Valine C2-C5 TMS 2 3 164764 2000
22 13CPROT1 Valine C2-C5 TMS 2 4 46860 2000
23 13CPROT1 Serine C2-C3 TMS 2 0 14521 2000
24 13CPROT1 Serine C2-C3 TMS 2 1 25326 2000
25 13CPROT1 Serine C2-C3 TMS 2 2 12650 2000
26 13CPROT1 Serine C2-C3 TMS 2 0 17150 2000
27 13CPROT1 Serine C2-C3 TMS 2 1 27812 2000
28 13CPROT1 Serine C2-C3 TMS 2 2 16419 2000
29 13CPROT1 Leucine C2-C6 TMS 2 0 20852 2000
30 13CPROT1 Leucine C2-C6 TMS 2 1 86110 2000
31 13CPROT1 Leucine C2-C6 TMS 2 2 172078 2000
32 13CPROT1 Leucine C2-C6 TMS 2 3 174426 2000
33 13CPROT1 Leucine C2-C6 TMS 2 4 96913 2000
34 13CPROT1 Leucine C2-C6 TMS 2 5 27748 2000
35 13CPROT1 Isoleucine C2-C6 TMS 2 0 12590 2000
36 13CPROT1 Isoleucine C2-C6 TMS 2 1 49057 2000
37 13CPROT1 Isoleucine C2-C6 TMS 2 2 97606 2000
38 13CPROT1 Isoleucine C2-C6 TMS 2 3 100222 2000
39 13CPROT1 Isoleucine C2-C6 TMS 2 4 51744 2000
40 13CPROT1 Isoleucine C2-C6 TMS 2 5 18182 2000
41 13CPROT1 Proline C2-C5 TMS 2 0 15909 2000
42 13CPROT1 Proline C2-C5 TMS 2 1 55216 2000
43 13CPROT1 Proline C2-C5 TMS 2 2 87980 2000
44 13CPROT1 Proline C2-C5 TMS 2 3 67872 2000
45 13CPROT1 Proline C2-C5 TMS 2 4 23395 2000
46 13CPROT1 Glycine C2 TMS 3 0 410680 2000
47 13CPROT1 Glycine C2 TMS 3 1 449017 2000
48 13CPROT1 Succinate C1-C4 TMS 2 0 50 2000
49 13CPROT1 Succinate C1-C4 TMS 2 1 271 2000
50 13CPROT1 Succinate C1-C4 TMS 2 2 77256 2000
51 13CPROT1 Succinate C1-C4 TMS 2 3 28 2000
52 13CPROT1 Succinate C1-C4 TMS 2 4 74 2000
53 13CPROT1 Fumarate C1-C4 TMS 2 0 836 2000
54 13CPROT1 Fumarate C1-C4 TMS 2 1 248 2000
55 13CPROT1 Fumarate C1-C4 TMS 2 2 225 2000
56 13CPROT1 Fumarate C1-C4 TMS 2 3 111 2000
57 13CPROT1 Fumarate C1-C4 TMS 2 4 59 2000
58 13CPROT1 Serine C2-C3 TMS 3 0 23340 2000
59 13CPROT1 Serine C2-C3 TMS 3 1 49349 2000
60 13CPROT1 Serine C2-C3 TMS 3 2 29872 2000
61 13CPROT1 Serine C1-C2 TMS 3 0 14400 2000
62 13CPROT1 Serine C1-C2 TMS 3 1 24837 2000
63 13CPROT1 Serine C1-C2 TMS 3 2 18287 2000
64 13CPROT1 Glycerate C1-C3 TMS 3 0 283 2000
65 13CPROT1 Glycerate C1-C3 TMS 3 1 59 2000
66 13CPROT1 Glycerate C1-C3 TMS 3 2 135 2000
67 13CPROT1 Glycerate C1-C3 TMS 3 3 23 2000
68 13CPROT1 Glycerate C1-C2 TMS 3 0 14 2000
69 13CPROT1 Glycerate C1-C2 TMS 3 1 67 2000
70 13CPROT1 Glycerate C1-C2 TMS 3 2 283 2000
71 13CPROT1 Threonine C1-C2 TMS 3 0 5303 2000
72 13CPROT1 Threonine C1-C2 TMS 3 1 11463 2000
73 13CPROT1 Threonine C1-C2 TMS 3 2 12193 2000
74 13CPROT1 Threonine C2-C4 TMS 3 0 10069 2000
75 13CPROT1 Threonine C2-C4 TMS 3 1 37998 2000
76 13CPROT1 Threonine C2-C4 TMS 3 2 45083 2000
77 13CPROT1 Threonine C2-C4 TMS 3 3 28835 2000
78 13CPROT1 Aspartate C2-C4 TMS 2 0 8066 2000
79 13CPROT1 Aspartate C2-C4 TMS 2 1 22139 2000
80 13CPROT1 Aspartate C2-C4 TMS 2 2 21117 2000
81 13CPROT1 Aspartate C2-C4 TMS 2 3 9851 2000
82 13CPROT1 Alaninebeta C1-C3 TMS 3 0 17 2000
83 13CPROT1 Alaninebeta C1-C3 TMS 3 1 120 2000
84 13CPROT1 Alaninebeta C1-C3 TMS 3 2 73 2000
85 13CPROT1 Alaninebeta C1-C3 TMS 3 3 78 2000
86 13CPROT1 Malate C1-C4 TMS 3 0 56 2000
87 13CPROT1 Malate C1-C4 TMS 3 1 69 2000
88 13CPROT1 Malate C1-C4 TMS 3 2 29 2000
89 13CPROT1 Malate C1-C4 TMS 3 3 39 2000
90 13CPROT1 Malate C1-C4 TMS 3 4 63 2000
91 13CPROT1 Malate C2-C4 TMS 3 0 216 2000
92 13CPROT1 Malate C2-C4 TMS 3 1 311 2000
93 13CPROT1 Malate C2-C4 TMS 3 2 40 2000
94 13CPROT1 Malate C2-C4 TMS 3 3 96 2000
95 13CPROT1 Methionine C2-C5 TMS 2 0 467 2000
96 13CPROT1 Methionine C2-C5 TMS 2 1 2360 2000
97 13CPROT1 Methionine C2-C5 TMS 2 2 3786 2000
98 13CPROT1 Methionine C2-C5 TMS 2 3 2546 2000
99 13CPROT1 Methionine C2-C5 TMS 2 4 670 2000
100 13CPROT1 Aspartate C2-C4 TMS 3 0 38637 2000
101 13CPROT1 Aspartate C2-C4 TMS 3 1 108852 2000
102 13CPROT1 Aspartate C2-C4 TMS 3 2 119678 2000
103 13CPROT1 Aspartate C2-C4 TMS 3 3 57857 2000
104 13CPROT1 2oxoglutarate(1MEOX) C1-C5 TMS 2 5 31 2000
105 13CPROT1 2oxoglutarate(1MEOX) C1-C5 TMS 2 0 76 2000
106 13CPROT1 2oxoglutarate(1MEOX) C1-C5 TMS 2 1 28 2000
107 13CPROT1 2oxoglutarate(1MEOX) C1-C5 TMS 2 2 347 2000
108 13CPROT1 2oxoglutarate(1MEOX) C1-C5 TMS 2 3 33 2000
109 13CPROT1 2oxoglutarate(1MEOX) C1-C5 TMS 2 4 154 2000
110 13CPROT1 Glutamate C2-C5 TMS 3 0 15889 2000
111 13CPROT1 Glutamate C2-C5 TMS 3 1 57485 2000
112 13CPROT1 Glutamate C2-C5 TMS 3 2 94542 2000
113 13CPROT1 Glutamate C2-C5 TMS 3 3 76009 2000
114 13CPROT1 Glutamate C2-C5 TMS 3 4 34552 2000
115 13CPROT1 Phenylalanine C1-C2 TMS 2 0 30206 2000
116 13CPROT1 Phenylalanine C1-C2 TMS 2 1 56708 2000
117 13CPROT1 Phenylalanine C1-C2 TMS 2 2 40046 2000
118 13CPROT1 Phenylalanine C2-C9 TMS 2 0 892 2000
119 13CPROT1 Phenylalanine C2-C9 TMS 2 1 2572 2000
120 13CPROT1 Phenylalanine C2-C9 TMS 2 2 10358 2000
121 13CPROT1 Phenylalanine C2-C9 TMS 2 3 20656 2000
122 13CPROT1 Phenylalanine C2-C9 TMS 2 4 22488 2000
123 13CPROT1 Phenylalanine C2-C9 TMS 2 5 22697 2000
124 13CPROT1 Phenylalanine C2-C9 TMS 2 6 11496 2000
125 13CPROT1 Phenylalanine C2-C9 TMS 2 7 3695 2000
126 13CPROT1 Phenylalanine C2-C9 TMS 2 8 1680 2000
127 13CPROT1 Asparagine C2-C4 TMS 3 0 102 2000
128 13CPROT1 Asparagine C2-C4 TMS 3 1 114 2000
129 13CPROT1 Asparagine C2-C4 TMS 3 2 46 2000
130 13CPROT1 Asparagine C2-C4 TMS 3 3 113 2000
131 13CPROT1 Asparagine C2-C4 TMS 2 0 203 2000
132 13CPROT1 Asparagine C2-C4 TMS 2 1 195 2000
133 13CPROT1 Asparagine C2-C4 TMS 2 2 191 2000
134 13CPROT1 Asparagine C2-C4 TMS 2 3 30 2000
135 13CPROT1 Glutamine C2-C5 TMS 3 0 214 2000
136 13CPROT1 Glutamine C2-C5 TMS 3 1 50 2000
137 13CPROT1 Glutamine C2-C5 TMS 3 2 247 2000
138 13CPROT1 Glutamine C2-C5 TMS 3 3 30 2000
139 13CPROT1 Glutamine C2-C5 TMS 3 4 47 2000
140 13CPROT1 Ornithine C1-C5 TMS 4 0 184 2000
141 13CPROT1 Ornithine C1-C5 TMS 4 1 86 2000
142 13CPROT1 Ornithine C1-C5 TMS 4 2 45 2000
143 13CPROT1 Ornithine C1-C5 TMS 4 3 14 2000
144 13CPROT1 Ornithine C1-C5 TMS 4 4 103 2000
145 13CPROT1 Ornithine C1-C5 TMS 4 5 106 2000
146 13CPROT1 Citrate C1-C6 TMS 4 0 58 2000
147 13CPROT1 Citrate C1-C6 TMS 4 1 41 2000
148 13CPROT1 Citrate C1-C6 TMS 4 2 87 2000
149 13CPROT1 Citrate C1-C6 TMS 4 3 81 2000
150 13CPROT1 Citrate C1-C6 TMS 4 4 36 2000
151 13CPROT1 Citrate C1-C6 TMS 4 5 33 2000
152 13CPROT1 Citrate C1-C6 TMS 4 6 45 2000
153 13CPROT1 Citrate C1-C5 TMS 4 0 610 2000
154 13CPROT1 Citrate C1-C5 TMS 4 1 287 2000
155 13CPROT1 Citrate C1-C5 TMS 4 2 383 2000
156 13CPROT1 Citrate C1-C5 TMS 4 3 94 2000
157 13CPROT1 Citrate C1-C5 TMS 4 4 81 2000
158 13CPROT1 Citrate C1-C5 TMS 4 5 83 2000
159 13CPROT1 Citrate C1-C5 TMS 4 0 47 2000
160 13CPROT1 Citrate C1-C5 TMS 4 1 60 2000
161 13CPROT1 Citrate C1-C5 TMS 4 2 136 2000
162 13CPROT1 Citrate C1-C5 TMS 4 3 53 2000
163 13CPROT1 Citrate C1-C5 TMS 4 4 89 2000
164 13CPROT1 Citrate C1-C5 TMS 4 5 90 2000
165 13CPROT1 Fructose(1MEOX)iso1 C4-C6 TMS 5 1 81 2000
166 13CPROT1 Fructose(1MEOX)iso1 C4-C6 TMS 5 2 123 2000
167 13CPROT1 Fructose(1MEOX)iso1 C4-C6 TMS 5 3 99 2000
168 13CPROT1 Fructose(1MEOX)iso1 C1-C4 TMS 5 0 162 2000
169 13CPROT1 Fructose(1MEOX)iso1 C1-C4 TMS 5 1 109 2000
170 13CPROT1 Fructose(1MEOX)iso1 C1-C4 TMS 5 2 21 2000
171 13CPROT1 Fructose(1MEOX)iso1 C1-C4 TMS 5 3 93 2000
172 13CPROT1 Fructose(1MEOX)iso1 C1-C4 TMS 5 4 115 2000
173 13CPROT1 Fructose(1MEOX)iso2 C4-C6 TMS 5 0 231 2000
174 13CPROT1 Fructose(1MEOX)iso2 C4-C6 TMS 5 1 77 2000
175 13CPROT1 Fructose(1MEOX)iso2 C4-C6 TMS 5 2 280 2000
176 13CPROT1 Fructose(1MEOX)iso2 C4-C6 TMS 5 3 108 2000
177 13CPROT1 Fructose(1MEOX)iso2 C1-C4 TMS 5 0 113 2000
178 13CPROT1 Fructose(1MEOX)iso2 C1-C4 TMS 5 1 23 2000
179 13CPROT1 Fructose(1MEOX)iso2 C1-C4 TMS 5 2 17 2000
180 13CPROT1 Fructose(1MEOX)iso2 C1-C4 TMS 5 3 23 2000
181 13CPROT1 Fructose(1MEOX)iso2 C1-C4 TMS 5 4 10 2000
182 13CPROT1 Galactose(1MEOX)iso1 C3-C6 TMS 5 2 46 2000
183 13CPROT1 Galactose(1MEOX)iso1 C3-C6 TMS 5 3 23 2000
184 13CPROT1 Galactose(1MEOX)iso1 C3-C6 TMS 5 4 30 2000
185 13CPROT1 Galactose(1MEOX)iso1 C1-C2 TMS 5 0 158 2000
186 13CPROT1 Galactose(1MEOX)iso1 C1-C2 TMS 5 1 145 2000
187 13CPROT1 Galactose(1MEOX)iso1 C1-C2 TMS 5 2 33 2000
188 13CPROT1 Glucose(1MEOX)iso1 C3-C6 TMS 5 0 177 2000
189 13CPROT1 Glucose(1MEOX)iso1 C3-C6 TMS 5 2 157 2000
190 13CPROT1 Glucose(1MEOX)iso1 C3-C6 TMS 5 3 40 2000
191 13CPROT1 Glucose(1MEOX)iso1 C3-C6 TMS 5 4 27 2000
192 13CPROT1 Glucose(1MEOX)iso1 C1-C2 TMS 5 0 124 2000
193 13CPROT1 Glucose(1MEOX)iso1 C1-C2 TMS 5 1 473 2000
194 13CPROT1 Glucose(1MEOX)iso1 C1-C2 TMS 5 2 397 2000
195 13CPROT1 Lysine C2-C6 TMS 4 0 1507 2000
196 13CPROT1 Lysine C2-C6 TMS 4 1 5384 2000
197 13CPROT1 Lysine C2-C6 TMS 4 2 8622 2000
198 13CPROT1 Lysine C2-C6 TMS 4 3 15418 2000
199 13CPROT1 Lysine C2-C6 TMS 4 4 10246 2000
200 13CPROT1 Lysine C2-C6 TMS 4 5 4524 2000
201 13CPROT1 Tyrosine C1-C2 TMS 3 0 30991 2000
202 13CPROT1 Tyrosine C1-C2 TMS 3 1 77027 2000
203 13CPROT1 Tyrosine C1-C2 TMS 3 2 46360 2000
204 13CPROT1 Tyrosine C2-C9 TMS 3 0 531 2000
205 13CPROT1 Tyrosine C2-C9 TMS 3 1 585 2000
206 13CPROT1 Tyrosine C2-C9 TMS 3 2 2467 2000
207 13CPROT1 Tyrosine C2-C9 TMS 3 3 4259 2000
208 13CPROT1 Tyrosine C2-C9 TMS 3 4 5517 2000
209 13CPROT1 Tyrosine C2-C9 TMS 3 5 6431 2000
210 13CPROT1 Tyrosine C2-C9 TMS 3 6 3077 2000
211 13CPROT1 Tyrosine C2-C9 TMS 3 7 1351 2000
212 13CPROT1 Tyrosine C2-C9 TMS 3 8 120 2000
213 13CPROT1 Tryptophan C1-C2 TMS 2 2 84 2000
214 13CPROT1 Tryptophan C3-C11 TMS 2 0 115 2000
215 13CPROT1 Tryptophan C3-C11 TMS 2 1 83 2000
216 13CPROT1 Tryptophan C3-C11 TMS 2 2 249 2000
217 13CPROT1 Tryptophan C3-C11 TMS 2 3 749 2000
218 13CPROT1 Tryptophan C3-C11 TMS 2 4 39 2000
219 13CPROT1 Tryptophan C3-C11 TMS 2 5 109 2000
220 13CPROT1 Tryptophan C3-C11 TMS 2 6 7 2000
221 13CPROT1 Tryptophan C3-C11 TMS 2 7 35 2000
222 13CPROT1 Tryptophan C3-C11 TMS 2 8 81 2000
223 13CPROT1 Tryptophan C3-C11 TMS 2 9 50 2000
224 13CPROT1 Tryptophan C1-C2 TMS 3 0 68 2000
225 13CPROT1 Tryptophan C1-C2 TMS 3 2 116 2000
226 13CPROT1 Tryptophan C3-C11 TMS 3 0 210 2000
227 13CPROT1 Tryptophan C3-C11 TMS 3 1 39 2000
228 13CPROT1 Tryptophan C3-C11 TMS 3 2 74 2000
229 13CPROT1 Tryptophan C3-C11 TMS 3 4 116 2000
230 13CPROT1 Tryptophan C3-C11 TMS 3 5 168 2000
231 13CPROT1 Tryptophan C3-C11 TMS 3 6 67 2000
232 13CPROT1 Tryptophan C3-C11 TMS 3 7 140 2000
233 13CPROT1 Tryptophan C3-C11 TMS 3 8 90 2000
234 13CPROT1 Tryptophan C3-C11 TMS 3 9 87 2000
235 13CPROT1 Sucrose (C1-C6gluc and fruc) TMS 8 0 31 2000
236 13CPROT1 Sucrose (C1-C6gluc and fruc) TMS 8 1 101 2000
237 13CPROT1 Sucrose (C1-C6gluc and fruc) TMS 8 2 76 2000
238 13CPROT1 Sucrose (C1-C6gluc and fruc) TMS 8 3 78 2000
239 13CPROT1 Sucrose (C1-C6gluc and fruc) TMS 8 4 16 2000
240 13CPROT1 Sucrose (C1-C6gluc and fruc) TMS 8 5 91 2000
241 13CPROT1 Sucrose (C1-C6gluc and fruc) TMS 8 6 47 2000
242 13CPROT1 Sucrose (C1-C6fructose) TMS 8 0 67 2000
243 13CPROT1 Sucrose (C1-C6fructose) TMS 8 1 48 2000
244 13CPROT1 Sucrose (C1-C6fructose) TMS 8 2 10 2000
245 13CPROT1 Sucrose (C1-C6fructose) TMS 8 3 222 2000
246 13CPROT1 Sucrose (C1-C6fructose) TMS 8 4 15 2000
247 13CPROT1 Sucrose (C1-C6fructose) TMS 8 5 45 2000
248 13CPROT1 Sucrose (C1-C6fructose) TMS 8 6 42 2000
249 13CPROT2 Glyoxylate (1MEOX) TMS 1 0 14 2000
250 13CPROT2 Glyoxylate (1MEOX) TMS 1 1 241 2000
251 13CPROT2 Glyoxylate (1MEOX) TMS 1 2 33 2000
252 13CPROT2 Pyruvate(1MEOX) C1-C3 TMS 1 0 276 2000
253 13CPROT2 Pyruvate(1MEOX) C1-C3 TMS 1 1 226 2000
254 13CPROT2 Pyruvate(1MEOX) C1-C3 TMS 1 2 46 2000
255 13CPROT2 Pyruvate(1MEOX) C1-C3 TMS 1 3 19 2000
256 13CPROT2 Glycolate TMS 2 0 1617 2000
257 13CPROT2 Glycolate TMS 2 1 208 2000
258 13CPROT2 Glycolate TMS 2 2 380 2000
259 13CPROT2 Alaninealpha C2-C3 TMS 2 0 108385 2000
260 13CPROT2 Alaninealpha C2-C3 TMS 2 1 219866 2000
261 13CPROT2 Alaninealpha C2-C3 TMS 2 2 122393 2000
262 13CPROT2 Valine C1-C2 TMS 2 0 6517 2000
263 13CPROT2 Valine C1-C2 TMS 2 1 14134 2000
264 13CPROT2 Valine C1-C2 TMS 2 2 13162 2000
265 13CPROT2 Valine C2-C5 TMS 2 0 21803 2000
266 13CPROT2 Valine C2-C5 TMS 2 1 67102 2000
267 13CPROT2 Valine C2-C5 TMS 2 2 108256 2000
268 13CPROT2 Valine C2-C5 TMS 2 3 99843 2000
269 13CPROT2 Valine C2-C5 TMS 2 4 29800 2000
270 13CPROT2 Serine C2-C3 TMS 2 0 14990 2000
271 13CPROT2 Serine C2-C3 TMS 2 1 24221 2000
272 13CPROT2 Serine C2-C3 TMS 2 2 13019 2000
273 13CPROT2 Serine C2-C3 TMS 2 0 13797 2000
274 13CPROT2 Serine C2-C3 TMS 2 1 32972 2000
275 13CPROT2 Serine C2-C3 TMS 2 2 17612 2000
276 13CPROT2 Leucine C2-C6 TMS 2 0 11774 2000
277 13CPROT2 Leucine C2-C6 TMS 2 1 45720 2000
278 13CPROT2 Leucine C2-C6 TMS 2 2 96214 2000
279 13CPROT2 Leucine C2-C6 TMS 2 3 91433 2000
280 13CPROT2 Leucine C2-C6 TMS 2 4 55609 2000
281 13CPROT2 Leucine C2-C6 TMS 2 5 17812 2000
282 13CPROT2 Isoleucine C2-C6 TMS 2 0 6601 2000
283 13CPROT2 Isoleucine C2-C6 TMS 2 1 28867 2000
284 13CPROT2 Isoleucine C2-C6 TMS 2 2 58345 2000
285 13CPROT2 Isoleucine C2-C6 TMS 2 3 59183 2000
286 13CPROT2 Isoleucine C2-C6 TMS 2 4 33658 2000
287 13CPROT2 Isoleucine C2-C6 TMS 2 5 10187 2000
288 13CPROT2 Proline C2-C5 TMS 2 0 9974 2000
289 13CPROT2 Proline C2-C5 TMS 2 1 28525 2000
290 13CPROT2 Proline C2-C5 TMS 2 2 44884 2000
291 13CPROT2 Proline C2-C5 TMS 2 3 33886 2000
292 13CPROT2 Proline C2-C5 TMS 2 4 15806 2000
293 13CPROT2 Glycine C2 TMS 3 0 345509 2000
294 13CPROT2 Glycine C2 TMS 3 1 392828 2000
295 13CPROT2 Succinate C1-C4 TMS 2 0 1079 2000
296 13CPROT2 Succinate C1-C4 TMS 2 1 58778 2000
297 13CPROT2 Succinate C1-C4 TMS 2 2 120 2000
298 13CPROT2 Succinate C1-C4 TMS 2 3 19232 2000
299 13CPROT2 Succinate C1-C4 TMS 2 4 85 2000
300 13CPROT2 Fumarate C1-C4 TMS 2 0 298 2000
301 13CPROT2 Fumarate C1-C4 TMS 2 1 459 2000
302 13CPROT2 Fumarate C1-C4 TMS 2 2 504 2000
303 13CPROT2 Fumarate C1-C4 TMS 2 3 114 2000
304 13CPROT2 Fumarate C1-C4 TMS 2 4 59 2000
305 13CPROT2 Serine C2-C3 TMS 3 0 12328 2000
306 13CPROT2 Serine C2-C3 TMS 3 1 23023 2000
307 13CPROT2 Serine C2-C3 TMS 3 2 17032 2000
308 13CPROT2 Serine C1-C2 TMS 3 0 5915 2000
309 13CPROT2 Serine C1-C2 TMS 3 1 13878 2000
310 13CPROT2 Serine C1-C2 TMS 3 2 9930 2000
311 13CPROT2 Glycerate C1-C3 TMS 3 0 649 2000
312 13CPROT2 Glycerate C1-C3 TMS 3 1 37 2000
313 13CPROT2 Glycerate C1-C3 TMS 3 2 66 2000
314 13CPROT2 Glycerate C1-C3 TMS 3 3 52 2000
315 13CPROT2 Glycerate C1-C2 TMS 3 0 21 2000
316 13CPROT2 Glycerate C1-C2 TMS 3 1 14 2000
317 13CPROT2 Glycerate C1-C2 TMS 3 2 49 2000
318 13CPROT2 Threonine C1-C2 TMS 3 0 2749 2000
319 13CPROT2 Threonine C1-C2 TMS 3 1 8046 2000
320 13CPROT2 Threonine C1-C2 TMS 3 2 7885 2000
321 13CPROT2 Threonine C2-C4 TMS 3 0 5785 2000
322 13CPROT2 Threonine C2-C4 TMS 3 1 23095 2000
323 13CPROT2 Threonine C2-C4 TMS 3 2 29315 2000
324 13CPROT2 Threonine C2-C4 TMS 3 3 15197 2000
325 13CPROT2 Threonine C2-C4 TMS 3 0 2749 2000
326 13CPROT2 Threonine C2-C4 TMS 3 1 8046 2000
327 13CPROT2 Threonine C2-C4 TMS 3 2 7885 2000
328 13CPROT2 Threonine C2-C4 TMS 3 3 4048 2000
329 13CPROT2 Aspartate C2-C4 TMS 2 0 10868 2000
330 13CPROT2 Aspartate C2-C4 TMS 2 1 29021 2000
331 13CPROT2 Aspartate C2-C4 TMS 2 2 26326 2000
332 13CPROT2 Aspartate C2-C4 TMS 2 3 12737 2000
333 13CPROT2 Alaninebeta C1-C3 TMS 3 0 120 2000
334 13CPROT2 Alaninebeta C1-C3 TMS 3 1 123 2000
335 13CPROT2 Alaninebeta C1-C3 TMS 3 2 259 2000
336 13CPROT2 Alaninebeta C1-C3 TMS 3 3 123 2000
337 13CPROT2 Malate C1-C4 TMS 3 0 38 2000
338 13CPROT2 Malate C1-C4 TMS 3 1 207 2000
339 13CPROT2 Malate C1-C4 TMS 3 2 58 2000
340 13CPROT2 Malate C1-C4 TMS 3 3 30 2000
341 13CPROT2 Malate C1-C4 TMS 3 4 8 2000
342 13CPROT2 Malate C2-C4 TMS 3 0 220 2000
343 13CPROT2 Malate C2-C4 TMS 3 1 40 2000
344 13CPROT2 Malate C2-C4 TMS 3 2 129 2000
345 13CPROT2 Malate C2-C4 TMS 3 3 119 2000
346 13CPROT2 Methionine C2-C5 TMS 2 0 295 2000
347 13CPROT2 Methionine C2-C5 TMS 2 1 1443 2000
348 13CPROT2 Methionine C2-C5 TMS 2 2 2319 2000
349 13CPROT2 Methionine C2-C5 TMS 2 3 1182 2000
350 13CPROT2 Methionine C2-C5 TMS 2 4 224 2000
351 13CPROT2 Aspartate C2-C4 TMS 3 0 26013 2000
352 13CPROT2 Aspartate C2-C4 TMS 3 1 72609 2000
353 13CPROT2 Aspartate C2-C4 TMS 3 2 74076 2000
354 13CPROT2 Aspartate C2-C4 TMS 3 3 37928 2000
355 13CPROT2 2oxoglutarate(1MEOX) C1-C5 TMS 2 5 209 2000
356 13CPROT2 2oxoglutarate(1MEOX) C1-C5 TMS 2 0 218 2000
357 13CPROT2 2oxoglutarate(1MEOX) C1-C5 TMS 2 1 95 2000
358 13CPROT2 2oxoglutarate(1MEOX) C1-C5 TMS 2 2 260 2000
359 13CPROT2 2oxoglutarate(1MEOX) C1-C5 TMS 2 3 562 2000
360 13CPROT2 2oxoglutarate(1MEOX) C1-C5 TMS 2 4 129 2000
361 13CPROT2 Glutamate C2-C5 TMS 3 0 11511 2000
362 13CPROT2 Glutamate C2-C5 TMS 3 1 43446 2000
363 13CPROT2 Glutamate C2-C5 TMS 3 2 70642 2000
364 13CPROT2 Glutamate C2-C5 TMS 3 3 48567 2000
365 13CPROT2 Glutamate C2-C5 TMS 3 4 21076 2000
366 13CPROT2 Phenylalanine C1-C2 TMS 2 0 19182 2000
367 13CPROT2 Phenylalanine C1-C2 TMS 2 1 38388 2000
368 13CPROT2 Phenylalanine C1-C2 TMS 2 2 26417 2000
369 13CPROT2 Phenylalanine C2-C9 TMS 2 0 298 2000
370 13CPROT2 Phenylalanine C2-C9 TMS 2 1 2091 2000
371 13CPROT2 Phenylalanine C2-C9 TMS 2 2 6870 2000
372 13CPROT2 Phenylalanine C2-C9 TMS 2 3 13290 2000
373 13CPROT2 Phenylalanine C2-C9 TMS 2 4 16350 2000
374 13CPROT2 Phenylalanine C2-C9 TMS 2 5 14452 2000
375 13CPROT2 Phenylalanine C2-C9 TMS 2 6 7588 2000
376 13CPROT2 Phenylalanine C2-C9 TMS 2 7 3131 2000
377 13CPROT2 Phenylalanine C2-C9 TMS 2 8 442 2000
378 13CPROT2 Asparagine C2-C4 TMS 3 0 147 2000
379 13CPROT2 Asparagine C2-C4 TMS 3 1 34 2000
380 13CPROT2 Asparagine C2-C4 TMS 3 2 27 2000
381 13CPROT2 Asparagine C2-C4 TMS 3 3 163 2000
382 13CPROT2 Asparagine C2-C4 TMS 2 0 103 2000
383 13CPROT2 Asparagine C2-C4 TMS 2 1 297 2000
384 13CPROT2 Asparagine C2-C4 TMS 2 2 86 2000
385 13CPROT2 Asparagine C2-C4 TMS 2 3 164 2000
386 13CPROT2 Glutamine C2-C5 TMS 3 0 10 2000
387 13CPROT2 Glutamine C2-C5 TMS 3 1 82 2000
388 13CPROT2 Glutamine C2-C5 TMS 3 2 99 2000
389 13CPROT2 Glutamine C2-C5 TMS 3 3 50 2000
390 13CPROT2 Glutamine C2-C5 TMS 3 4 104 2000
391 13CPROT2 Ornithine C1-C5 TMS 4 0 129 2000
392 13CPROT2 Ornithine C1-C5 TMS 4 1 130 2000
393 13CPROT2 Ornithine C1-C5 TMS 4 2 112 2000
394 13CPROT2 Ornithine C1-C5 TMS 4 3 19 2000
395 13CPROT2 Ornithine C1-C5 TMS 4 4 15 2000
396 13CPROT2 Ornithine C1-C5 TMS 4 5 53 2000
397 13CPROT2 Citrate C1-C6 TMS 4 0 219 2000
398 13CPROT2 Citrate C1-C6 TMS 4 1 17 2000
399 13CPROT2 Citrate C1-C6 TMS 4 2 33 2000
400 13CPROT2 Citrate C1-C6 TMS 4 3 23 2000
401 13CPROT2 Citrate C1-C6 TMS 4 4 59 2000
402 13CPROT2 Citrate C1-C6 TMS 4 5 108 2000
403 13CPROT2 Citrate C1-C6 TMS 4 6 40 2000
404 13CPROT2 Citrate C1-C5 TMS 4 0 242 2000
405 13CPROT2 Citrate C1-C5 TMS 4 1 220 2000
406 13CPROT2 Citrate C1-C5 TMS 4 2 157 2000
407 13CPROT2 Citrate C1-C5 TMS 4 3 134 2000
408 13CPROT2 Citrate C1-C5 TMS 4 4 66 2000
409 13CPROT2 Citrate C1-C5 TMS 4 5 60 2000
410 13CPROT2 Citrate C1-C5 TMS 4 0 63 2000
411 13CPROT2 Citrate C1-C5 TMS 4 1 91 2000
412 13CPROT2 Citrate C1-C5 TMS 4 2 105 2000
413 13CPROT2 Citrate C1-C5 TMS 4 3 160 2000
414 13CPROT2 Citrate C1-C5 TMS 4 4 32 2000
415 13CPROT2 Citrate C1-C5 TMS 4 5 155 2000
416 13CPROT2 Fructose(1MEOX)iso1 C4-C6 TMS 5 0 158 2000
417 13CPROT2 Fructose(1MEOX)iso1 C4-C6 TMS 5 1 225 2000
418 13CPROT2 Fructose(1MEOX)iso1 C4-C6 TMS 5 2 37 2000
419 13CPROT2 Fructose(1MEOX)iso1 C4-C6 TMS 5 3 53 2000
420 13CPROT2 Fructose(1MEOX)iso1 C1-C4 TMS 5 0 261 2000
421 13CPROT2 Fructose(1MEOX)iso1 C1-C4 TMS 5 1 73 2000
422 13CPROT2 Fructose(1MEOX)iso1 C1-C4 TMS 5 2 69 2000
423 13CPROT2 Fructose(1MEOX)iso1 C1-C4 TMS 5 3 95 2000
424 13CPROT2 Fructose(1MEOX)iso1 C1-C4 TMS 5 4 6 2000
425 13CPROT2 Fructose(1MEOX)iso2 C4-C6 TMS 5 0 136 2000
426 13CPROT2 Fructose(1MEOX)iso2 C4-C6 TMS 5 1 178 2000
427 13CPROT2 Fructose(1MEOX)iso2 C4-C6 TMS 5 2 147 2000
428 13CPROT2 Fructose(1MEOX)iso2 C4-C6 TMS 5 3 94 2000
429 13CPROT2 Fructose(1MEOX)iso2 C1-C4 TMS 5 0 177 2000
430 13CPROT2 Fructose(1MEOX)iso2 C1-C4 TMS 5 1 98 2000
431 13CPROT2 Fructose(1MEOX)iso2 C1-C4 TMS 5 2 30 2000
432 13CPROT2 Fructose(1MEOX)iso2 C1-C4 TMS 5 3 60 2000
433 13CPROT2 Fructose(1MEOX)iso2 C1-C4 TMS 5 4 114 2000
434 13CPROT2 Galactose(1MEOX)iso1 C3-C6 TMS 5 1 84 2000
435 13CPROT2 Galactose(1MEOX)iso1 C3-C6 TMS 5 2 72 2000
436 13CPROT2 Galactose(1MEOX)iso1 C3-C6 TMS 5 3 4 2000
437 13CPROT2 Galactose(1MEOX)iso1 C3-C6 TMS 5 4 40 2000
438 13CPROT2 Galactose(1MEOX)iso1 C1-C2 TMS 5 0 35 2000
439 13CPROT2 Galactose(1MEOX)iso1 C1-C2 TMS 5 1 117 2000
440 13CPROT2 Galactose(1MEOX)iso1 C1-C2 TMS 5 2 11 2000
441 13CPROT2 Glucose(1MEOX)iso1 C3-C6 TMS 5 1 238 2000
442 13CPROT2 Glucose(1MEOX)iso1 C3-C6 TMS 5 2 87 2000
443 13CPROT2 Glucose(1MEOX)iso1 C3-C6 TMS 5 3 55 2000
444 13CPROT2 Glucose(1MEOX)iso1 C3-C6 TMS 5 4 133 2000
445 13CPROT2 Glucose(1MEOX)iso1 C1-C2 TMS 5 0 1056 2000
446 13CPROT2 Glucose(1MEOX)iso1 C1-C2 TMS 5 1 567 2000
447 13CPROT2 Glucose(1MEOX)iso1 C1-C2 TMS 5 2 176 2000
448 13CPROT2 Lysine C2-C6 TMS 4 0 1255 2000
449 13CPROT2 Lysine C2-C6 TMS 4 1 4627 2000
450 13CPROT2 Lysine C2-C6 TMS 4 2 7277 2000
451 13CPROT2 Lysine C2-C6 TMS 4 3 12241 2000
452 13CPROT2 Lysine C2-C6 TMS 4 4 7743 2000
453 13CPROT2 Lysine C2-C6 TMS 4 5 4667 2000
454 13CPROT2 Tyrosine C1-C2 TMS 3 0 28096 2000
455 13CPROT2 Tyrosine C1-C2 TMS 3 1 62990 2000
456 13CPROT2 Tyrosine C1-C2 TMS 3 2 40135 2000
457 13CPROT2 Tyrosine C2-C9 TMS 3 0 228 2000
458 13CPROT2 Tyrosine C2-C9 TMS 3 1 891 2000
459 13CPROT2 Tyrosine C2-C9 TMS 3 2 2218 2000
460 13CPROT2 Tyrosine C2-C9 TMS 3 3 2402 2000
461 13CPROT2 Tyrosine C2-C9 TMS 3 4 5621 2000
462 13CPROT2 Tyrosine C2-C9 TMS 3 5 3117 2000
463 13CPROT2 Tyrosine C2-C9 TMS 3 6 2541 2000
464 13CPROT2 Tyrosine C2-C9 TMS 3 7 784 2000
465 13CPROT2 Tyrosine C2-C9 TMS 3 8 337 2000
466 13CPROT2 Tryptophan C1-C2 TMS 2 0 143 2000
467 13CPROT2 Tryptophan C1-C2 TMS 2 2 31 2000
468 13CPROT2 Tryptophan C3-C11 TMS 2 0 128 2000
469 13CPROT2 Tryptophan C3-C11 TMS 2 1 55 2000
470 13CPROT2 Tryptophan C3-C11 TMS 2 2 23 2000
471 13CPROT2 Tryptophan C3-C11 TMS 2 3 87 2000
472 13CPROT2 Tryptophan C3-C11 TMS 2 4 43 2000
473 13CPROT2 Tryptophan C3-C11 TMS 2 5 59 2000
474 13CPROT2 Tryptophan C3-C11 TMS 2 6 43 2000
475 13CPROT2 Tryptophan C3-C11 TMS 2 7 58 2000
476 13CPROT2 Tryptophan C3-C11 TMS 2 8 81 2000
477 13CPROT2 Tryptophan C3-C11 TMS 2 9 18 2000
478 13CPROT2 Tryptophan C1-C2 TMS 3 1 100 2000
479 13CPROT2 Tryptophan C1-C2 TMS 3 2 96 2000
480 13CPROT2 Tryptophan C3-C11 TMS 3 0 43 2000
481 13CPROT2 Tryptophan C3-C11 TMS 3 1 47 2000
482 13CPROT2 Tryptophan C3-C11 TMS 3 2 186 2000
483 13CPROT2 Tryptophan C3-C11 TMS 3 4 64 2000
484 13CPROT2 Tryptophan C3-C11 TMS 3 5 181 2000
485 13CPROT2 Tryptophan C3-C11 TMS 3 6 119 2000
486 13CPROT2 Tryptophan C3-C11 TMS 3 7 122 2000
487 13CPROT2 Tryptophan C3-C11 TMS 3 8 23 2000
488 13CPROT2 Tryptophan C3-C11 TMS 3 9 43 2000
489 13CPROT2 Sucrose (C1-C6gluc and fruc) TMS 8 0 66 2000
490 13CPROT2 Sucrose (C1-C6gluc and fruc) TMS 8 1 42 2000
491 13CPROT2 Sucrose (C1-C6gluc and fruc) TMS 8 2 41 2000
492 13CPROT2 Sucrose (C1-C6gluc and fruc) TMS 8 3 32 2000
493 13CPROT2 Sucrose (C1-C6gluc and fruc) TMS 8 4 43 2000
494 13CPROT2 Sucrose (C1-C6gluc and fruc) TMS 8 5 31 2000
495 13CPROT2 Sucrose (C1-C6gluc and fruc) TMS 8 6 46 2000
496 13CPROT2 Sucrose (C1-C6fructose) TMS 8 0 27 2000
497 13CPROT2 Sucrose (C1-C6fructose) TMS 8 1 54 2000
498 13CPROT2 Sucrose (C1-C6fructose) TMS 8 2 44 2000
499 13CPROT2 Sucrose (C1-C6fructose) TMS 8 3 50 2000
500 13CPROT2 Sucrose (C1-C6fructose) TMS 8 4 100 2000
501 13CPROT2 Sucrose (C1-C6fructose) TMS 8 5 13 2000
502 13CPROT2 Sucrose (C1-C6fructose) TMS 8 6 54 2000