|
0
|
1 ppm1 ppm2 Metabolite score
|
|
|
2 2.452 0 4_hydroxyphenylpropionic_acid 0.5
|
|
|
3 2.452 -0.013 4_hydroxyphenylpropionic_acid 0.5
|
|
|
4 2.452 0.013 4_hydroxyphenylpropionic_acid 0.5
|
|
|
5 2.818 -0.013 4_hydroxyphenylpropionic_acid 0.5
|
|
|
6 2.818 0.013 4_hydroxyphenylpropionic_acid 0.5
|
|
|
7 1.487 0.006 alanine 1
|
|
|
8 1.487 -0.006 alanine 1
|
|
|
9 3.791 -0.006 alanine 1
|
|
|
10 3.791 -0.018 alanine 1
|
|
|
11 3.791 0.006 alanine 1
|
|
|
12 3.791 0.018 alanine 1
|
|
|
13 3.517 0.002 arabinose 0.348837209302326
|
|
|
14 3.655 -0.013 arabinose 0.348837209302326
|
|
|
15 3.655 0.013 arabinose 0.348837209302326
|
|
|
16 3.671 -0.005 arabinose 0.348837209302326
|
|
|
17 3.824 -0.011 arabinose 0.348837209302326
|
|
|
18 3.824 0.005 arabinose 0.348837209302326
|
|
|
19 3.824 -0.005 arabinose 0.348837209302326
|
|
|
20 3.824 0.011 arabinose 0.348837209302326
|
|
|
21 3.905 -0.012 arabinose 0.348837209302326
|
|
|
22 3.905 -0.009 arabinose 0.348837209302326
|
|
|
23 3.905 0.009 arabinose 0.348837209302326
|
|
|
24 3.905 0.009 arabinose 0.348837209302326
|
|
|
25 3.905 -0.012 arabinose 0.348837209302326
|
|
|
26 3.905 -0.009 arabinose 0.348837209302326
|
|
|
27 4.013 0.004 arabinose 0.348837209302326
|
|
|
28 5.248 -0.002 arabinose 0.348837209302326
|
|
|
29 5.248 0.003 arabinose 0.348837209302326
|
|
|
30 2.881 -0.008 asparagine 1
|
|
|
31 2.881 0.02 asparagine 1
|
|
|
32 2.881 0.008 asparagine 1
|
|
|
33 2.881 -0.02 asparagine 1
|
|
|
34 2.961 0.01 asparagine 1
|
|
|
35 2.961 -0.018 asparagine 1
|
|
|
36 2.961 -0.011 asparagine 1
|
|
|
37 2.961 0.018 asparagine 1
|
|
|
38 4.014 -0.01 asparagine 1
|
|
|
39 4.014 0.01 asparagine 1
|
|
|
40 4.014 -0.002 asparagine 1
|
|
|
41 4.014 0.002 asparagine 1
|
|
|
42 2.694 0.007 Aspartic_acid 1
|
|
|
43 2.694 0.022 Aspartic_acid 1
|
|
|
44 2.694 -0.008 Aspartic_acid 1
|
|
|
45 2.817 -0.011 Aspartic_acid 1
|
|
|
46 2.817 0.011 Aspartic_acid 1
|
|
|
47 2.817 0.018 Aspartic_acid 1
|
|
|
48 2.817 -0.018 Aspartic_acid 1
|
|
|
49 3.906 -0.01 Aspartic_acid 1
|
|
|
50 3.906 0.01 Aspartic_acid 1
|
|
|
51 3.906 -0.004 Aspartic_acid 1
|
|
|
52 3.906 0.004 Aspartic_acid 1
|
|
|
53 3.906 0.01 Aspartic_acid 1
|
|
|
54 3.906 -0.01 Aspartic_acid 1
|
|
|
55 3.273 0 betaine 1
|
|
|
56 3.908 0 betaine 1
|
|
|
57 0.898 -0.012 Butyric acid 0.916666666666667
|
|
|
58 0.902 0 Butyric acid 0.916666666666667
|
|
|
59 0.907 0.013 Butyric acid 0.916666666666667
|
|
|
60 1.565 0.007 Butyric acid 0.916666666666667
|
|
|
61 1.57 0.019 Butyric acid 0.916666666666667
|
|
|
62 1.565 -0.03 Butyric acid 0.916666666666667
|
|
|
63 1.565 -0.006 Butyric acid 0.916666666666667
|
|
|
64 1.57 -0.018 Butyric acid 0.916666666666667
|
|
|
65 2.165 0 Butyric acid 0.916666666666667
|
|
|
66 2.17 0.013 Butyric acid 0.916666666666667
|
|
|
67 2.17 -0.012 Butyric acid 0.916666666666667
|
|
|
68 1.726 0.025 Cadaverine 0.615384615384615
|
|
|
69 1.73 -0.026 Cadaverine 0.615384615384615
|
|
|
70 1.729 0 Cadaverine 0.615384615384615
|
|
|
71 1.729 0.013 Cadaverine 0.615384615384615
|
|
|
72 1.731 -0.013 Cadaverine 0.615384615384615
|
|
|
73 3.022 0.012 Cadaverine 0.615384615384615
|
|
|
74 3.022 -0.012 Cadaverine 0.615384615384615
|
|
|
75 3.024 0 Cadaverine 0.615384615384615
|
|
|
76 2.426 -0.018 carnitine 0.611111111111111
|
|
|
77 2.426 0.007 carnitine 0.611111111111111
|
|
|
78 2.426 0.018 carnitine 0.611111111111111
|
|
|
79 2.446 0.013 carnitine 0.611111111111111
|
|
|
80 2.446 -0.013 carnitine 0.611111111111111
|
|
|
81 2.445 0.027 carnitine 0.611111111111111
|
|
|
82 2.445 0 carnitine 0.611111111111111
|
|
|
83 2.445 -0.027 carnitine 0.611111111111111
|
|
|
84 2.445 0 carnitine 0.611111111111111
|
|
|
85 2.446 -0.038 carnitine 0.611111111111111
|
|
|
86 2.445 -0.027 carnitine 0.611111111111111
|
|
|
87 2.445 0.027 carnitine 0.611111111111111
|
|
|
88 2.446 0.038 carnitine 0.611111111111111
|
|
|
89 2.446 -0.013 carnitine 0.611111111111111
|
|
|
90 2.446 0.013 carnitine 0.611111111111111
|
|
|
91 2.465 -0.007 carnitine 0.611111111111111
|
|
|
92 2.465 0.007 carnitine 0.611111111111111
|
|
|
93 2.465 0.019 carnitine 0.611111111111111
|
|
|
94 2.465 0.019 carnitine 0.611111111111111
|
|
|
95 2.465 -0.007 carnitine 0.611111111111111
|
|
|
96 2.465 -0.019 carnitine 0.611111111111111
|
|
|
97 2.465 0.007 carnitine 0.611111111111111
|
|
|
98 3.234 0 carnitine 0.611111111111111
|
|
|
99 3.422 0.015 carnitine 0.611111111111111
|
|
|
100 3.422 -0.015 carnitine 0.611111111111111
|
|
|
101 3.434 0 carnitine 0.611111111111111
|
|
|
102 3.422 -0.009 carnitine 0.611111111111111
|
|
|
103 3.438 -0.008 carnitine 0.611111111111111
|
|
|
104 3.438 0.008 carnitine 0.611111111111111
|
|
|
105 3.209 -0.001 CholineChloride 0.714285714285714
|
|
|
106 3.529 0.008 CholineChloride 0.714285714285714
|
|
|
107 3.529 -0.008 CholineChloride 0.714285714285714
|
|
|
108 4.069 0 CholineChloride 0.714285714285714
|
|
|
109 4.069 0.009 CholineChloride 0.714285714285714
|
|
|
110 3.937 0 creatine 0.5
|
|
|
111 2.454 -0.013 Desaminotyrosine 0.4
|
|
|
112 2.454 0.013 Desaminotyrosine 0.4
|
|
|
113 2.822 -0.013 Desaminotyrosine 0.4
|
|
|
114 2.822 0.012 Desaminotyrosine 0.4
|
|
|
115 2.729 0 Dimethylamine 1
|
|
|
116 3.741 0 Dimethylglycine 0.333333333333333
|
|
|
117 6.519 0 Fumaric acid 1
|
|
|
118 3.5 -0.002 galactose 0.473684210526316
|
|
|
119 3.498 0.015 galactose 0.473684210526316
|
|
|
120 3.658 -0.011 galactose 0.473684210526316
|
|
|
121 3.658 -0.005 galactose 0.473684210526316
|
|
|
122 3.658 0.005 galactose 0.473684210526316
|
|
|
123 3.658 0.011 galactose 0.473684210526316
|
|
|
124 3.723 -0.016 galactose 0.473684210526316
|
|
|
125 3.723 0.016 galactose 0.473684210526316
|
|
|
126 3.723 0.016 galactose 0.473684210526316
|
|
|
127 3.723 -0.004 galactose 0.473684210526316
|
|
|
128 3.723 -0.016 galactose 0.473684210526316
|
|
|
129 3.723 0.004 galactose 0.473684210526316
|
|
|
130 3.736 0 galactose 0.473684210526316
|
|
|
131 3.76 -0.002 galactose 0.473684210526316
|
|
|
132 3.762 0.008 galactose 0.473684210526316
|
|
|
133 3.763 -0.009 galactose 0.473684210526316
|
|
|
134 3.812 -0.012 galactose 0.473684210526316
|
|
|
135 3.812 0.005 galactose 0.473684210526316
|
|
|
136 3.812 -0.006 galactose 0.473684210526316
|
|
|
137 3.812 0.012 galactose 0.473684210526316
|
|
|
138 3.863 -0.012 galactose 0.473684210526316
|
|
|
139 3.863 -0.006 galactose 0.473684210526316
|
|
|
140 3.863 0.006 galactose 0.473684210526316
|
|
|
141 3.863 0.012 galactose 0.473684210526316
|
|
|
142 4.595 -0.007 galactose 0.473684210526316
|
|
|
143 4.595 0.007 galactose 0.473684210526316
|
|
|
144 5.274 -0.004 galactose 0.473684210526316
|
|
|
145 5.274 0.004 galactose 0.473684210526316
|
|
|
146 3.256 -0.014 glucose 0.8125
|
|
|
147 3.255 0 glucose 0.8125
|
|
|
148 3.422 0.016 glucose 0.8125
|
|
|
149 3.411 0.016 glucose 0.8125
|
|
|
150 3.422 -0.016 glucose 0.8125
|
|
|
151 3.411 -0.016 glucose 0.8125
|
|
|
152 3.422 0 glucose 0.8125
|
|
|
153 3.475 0 glucose 0.8125
|
|
|
154 3.475 -0.011 glucose 0.8125
|
|
|
155 3.475 -0.005 glucose 0.8125
|
|
|
156 3.475 0.005 glucose 0.8125
|
|
|
157 3.475 0.011 glucose 0.8125
|
|
|
158 3.475 0.015 glucose 0.8125
|
|
|
159 3.502 -0.015 glucose 0.8125
|
|
|
160 3.502 0 glucose 0.8125
|
|
|
161 3.502 0.015 glucose 0.8125
|
|
|
162 3.545 0.011 glucose 0.8125
|
|
|
163 3.545 -0.005 glucose 0.8125
|
|
|
164 3.545 0.005 glucose 0.8125
|
|
|
165 3.545 -0.012 glucose 0.8125
|
|
|
166 3.731 -0.015 glucose 0.8125
|
|
|
167 3.721 -0.016 glucose 0.8125
|
|
|
168 3.732 0.015 glucose 0.8125
|
|
|
169 3.721 0.016 glucose 0.8125
|
|
|
170 3.732 0.015 glucose 0.8125
|
|
|
171 3.732 -0.006 glucose 0.8125
|
|
|
172 3.731 -0.015 glucose 0.8125
|
|
|
173 3.732 0.005 glucose 0.8125
|
|
|
174 3.843 0.009 glucose 0.8125
|
|
|
175 3.839 0.011 glucose 0.8125
|
|
|
176 3.844 -0.01 glucose 0.8125
|
|
|
177 3.839 -0.011 glucose 0.8125
|
|
|
178 3.901 -0.012 glucose 0.8125
|
|
|
179 3.901 -0.009 glucose 0.8125
|
|
|
180 3.901 0.008 glucose 0.8125
|
|
|
181 3.902 0.012 glucose 0.8125
|
|
|
182 3.901 -0.012 glucose 0.8125
|
|
|
183 3.901 -0.009 glucose 0.8125
|
|
|
184 4.655 0.007 glucose 0.8125
|
|
|
185 4.655 -0.006 glucose 0.8125
|
|
|
186 5.243 -0.003 glucose 0.8125
|
|
|
187 5.243 0.003 glucose 0.8125
|
|
|
188 3.656 -0.013 glycerol 0.666666666666667
|
|
|
189 3.656 -0.006 glycerol 0.666666666666667
|
|
|
190 3.656 0.006 glycerol 0.666666666666667
|
|
|
191 3.791 -0.011 glycerol 0.666666666666667
|
|
|
192 3.791 0 glycerol 0.666666666666667
|
|
|
193 3.791 0.01 glycerol 0.666666666666667
|
|
|
194 3.791 -0.007 glycerol 0.666666666666667
|
|
|
195 3.791 -0.018 glycerol 0.666666666666667
|
|
|
196 3.791 0.007 glycerol 0.666666666666667
|
|
|
197 3.791 0.018 glycerol 0.666666666666667
|
|
|
198 3.568 0 glycine 1
|
|
|
199 3.969 0 hippuric_acid 1
|
|
|
200 7.555 0.013 hippuric_acid 1
|
|
|
201 7.555 0 hippuric_acid 1
|
|
|
202 7.555 -0.013 hippuric_acid 1
|
|
|
203 7.642 0 hippuric_acid 1
|
|
|
204 7.642 -0.013 hippuric_acid 1
|
|
|
205 7.642 0.012 hippuric_acid 1
|
|
|
206 7.836 -0.007 hippuric_acid 1
|
|
|
207 7.836 0.007 hippuric_acid 1
|
|
|
208 4.015 -0.011 Histidine 0.428571428571429
|
|
|
209 4.015 0.01 Histidine 0.428571428571429
|
|
|
210 4.015 -0.002 Histidine 0.428571428571429
|
|
|
211 4.015 0.002 Histidine 0.428571428571429
|
|
|
212 7.156 0 Histidine 0.428571428571429
|
|
|
213 8.043 0 Histidine 0.428571428571429
|
|
|
214 7.21 0.013 indoxylsulfate 0.545454545454545
|
|
|
215 7.21 -0.013 indoxylsulfate 0.545454545454545
|
|
|
216 7.21 0 indoxylsulfate 0.545454545454545
|
|
|
217 7.283 -0.013 indoxylsulfate 0.545454545454545
|
|
|
218 7.283 0.013 indoxylsulfate 0.545454545454545
|
|
|
219 7.283 0 indoxylsulfate 0.545454545454545
|
|
|
220 0.946 -0.012 Isoleucine 0.379310344827586
|
|
|
221 0.948 0.012 Isoleucine 0.379310344827586
|
|
|
222 0.949 0 Isoleucine 0.379310344827586
|
|
|
223 1.017 0.007 Isoleucine 0.379310344827586
|
|
|
224 1.017 -0.006 Isoleucine 0.379310344827586
|
|
|
225 1.269 0.025 Isoleucine 0.379310344827586
|
|
|
226 1.269 -0.024 Isoleucine 0.379310344827586
|
|
|
227 1.269 -0.011 Isoleucine 0.379310344827586
|
|
|
228 1.269 0.011 Isoleucine 0.379310344827586
|
|
|
229 3.687 -0.004 Isoleucine 0.379310344827586
|
|
|
230 3.683 0.003 Isoleucine 0.379310344827586
|
|
|
231 1.333 0.006 Lactic acid 1
|
|
|
232 1.333 -0.006 Lactic acid 1
|
|
|
233 1.333 0.006 Lactic acid 1
|
|
|
234 4.117 -0.017 Lactic acid 1
|
|
|
235 4.118 0.017 Lactic acid 1
|
|
|
236 4.117 -0.006 Lactic acid 1
|
|
|
237 4.117 0.006 Lactic acid 1
|
|
|
238 3.741 -0.005 mannose 0.3125
|
|
|
239 3.741 -0.015 mannose 0.3125
|
|
|
240 3.741 0.005 mannose 0.3125
|
|
|
241 3.823 0.004 mannose 0.3125
|
|
|
242 3.823 -0.004 mannose 0.3125
|
|
|
243 3.856 -0.011 mannose 0.3125
|
|
|
244 3.856 -0.005 mannose 0.3125
|
|
|
245 3.856 0.005 mannose 0.3125
|
|
|
246 3.856 0.011 mannose 0.3125
|
|
|
247 3.91 -0.012 mannose 0.3125
|
|
|
248 3.91 0.009 mannose 0.3125
|
|
|
249 3.91 0.009 mannose 0.3125
|
|
|
250 3.91 0.012 mannose 0.3125
|
|
|
251 3.91 -0.012 mannose 0.3125
|
|
|
252 3.943 0 mannose 0.3125
|
|
|
253 3.956 0 mannose 0.3125
|
|
|
254 3.544 0.011 myo_inositol 0.384615384615385
|
|
|
255 3.544 -0.006 myo_inositol 0.384615384615385
|
|
|
256 3.544 0.006 myo_inositol 0.384615384615385
|
|
|
257 3.544 -0.011 myo_inositol 0.384615384615385
|
|
|
258 4.073 0 myo_inositol 0.384615384615385
|
|
|
259 2.012 -0.021 Proline 0.409090909090909
|
|
|
260 2.011 -0.01 Proline 0.409090909090909
|
|
|
261 2.012 0.01 Proline 0.409090909090909
|
|
|
262 2.012 0.021 Proline 0.409090909090909
|
|
|
263 2.011 0 Proline 0.409090909090909
|
|
|
264 2.356 -0.004 Proline 0.409090909090909
|
|
|
265 2.356 -0.017 Proline 0.409090909090909
|
|
|
266 2.356 0.004 Proline 0.409090909090909
|
|
|
267 2.356 0.018 Proline 0.409090909090909
|
|
|
268 3.347 -0.009 Proline 0.409090909090909
|
|
|
269 3.347 0.01 Proline 0.409090909090909
|
|
|
270 3.423 0.001 Proline 0.409090909090909
|
|
|
271 3.423 -0.009 Proline 0.409090909090909
|
|
|
272 3.423 0.01 Proline 0.409090909090909
|
|
|
273 4.141 0.013 Proline 0.409090909090909
|
|
|
274 4.141 -0.013 Proline 0.409090909090909
|
|
|
275 4.14 -0.002 Proline 0.409090909090909
|
|
|
276 4.142 0.002 Proline 0.409090909090909
|
|
|
277 3.275 0 taurine 0.333333333333333
|
|
|
278 3.43 0 taurine 0.333333333333333
|
|
|
279 1.34 0.005 threonine 1
|
|
|
280 1.339 -0.006 threonine 1
|
|
|
281 1.34 0.005 threonine 1
|
|
|
282 3.603 0.004 threonine 1
|
|
|
283 3.604 -0.005 threonine 1
|
|
|
284 4.26 -0.01 threonine 1
|
|
|
285 4.258 -0.02 threonine 1
|
|
|
286 4.26 0.01 threonine 1
|
|
|
287 4.259 0 threonine 1
|
|
|
288 4.259 0.021 threonine 1
|
|
|
289 4.063 -0.002 tryptophan 0.521739130434783
|
|
|
290 7.204 0.012 tryptophan 0.521739130434783
|
|
|
291 7.204 -0.012 tryptophan 0.521739130434783
|
|
|
292 7.204 0 tryptophan 0.521739130434783
|
|
|
293 7.288 -0.012 tryptophan 0.521739130434783
|
|
|
294 7.288 0.013 tryptophan 0.521739130434783
|
|
|
295 7.288 0 tryptophan 0.521739130434783
|
|
|
296 7.334 0 tryptophan 0.521739130434783
|
|
|
297 7.548 -0.006 tryptophan 0.521739130434783
|
|
|
298 7.549 0.007 tryptophan 0.521739130434783
|
|
|
299 7.738 -0.006 tryptophan 0.521739130434783
|
|
|
300 7.738 0.006 tryptophan 0.521739130434783
|
|
|
301 7.552 -0.006 Uracil 0.5
|
|
|
302 7.552 0.007 Uracil 0.5
|
|
|
303 0.998 -0.006 valine 0.75
|
|
|
304 0.996 0.006 valine 0.75
|
|
|
305 1.047 -0.006 valine 0.75
|
|
|
306 1.047 0.006 valine 0.75
|
|
|
307 2.279 -0.004 valine 0.75
|
|
|
308 2.28 0.003 valine 0.75
|
|
|
309 2.28 0.016 valine 0.75
|
|
|
310 2.281 -0.016 valine 0.75
|
|
|
311 2.28 -0.008 valine 0.75
|
|
|
312 2.28 0.008 valine 0.75
|
|
|
313 3.62 -0.004 valine 0.75
|
|
|
314 3.62 0.004 valine 0.75
|
