Metabolite [retention time (min); key m/z] | pH 6.48 vs 6.98 | pH 6.24 vs 6.98α | pH 6.12 vs 6.98 | pH 5.80 vs 6.98 | ||||
---|---|---|---|---|---|---|---|---|
Fold change | p value | Fold change | p value | Fold change | p value | Fold change | p value | |
Glutamic acid | 57.5 | 0.429 | 267* | 0.003 | 319 | 0.422 | 471 | 0.334 |
10.34 256 156 358 373 N-metabolite | 30.4 | 0.432 | 83.3* | 0.025 | 28 | 0.411 | 57.7* | 0.014 |
3-Phosphoglyceric acid | 1.98 | 0.052 | 45.2 | 0.384 | 10.8* | 0.027 | 46.5 | 0.374 |
11.93 288 198 172 390 M+ N-metabolite | 2.4 | 0.140 | 33* | 0.000 | 14.1 | 0.194 | 6.17 | 0.291 |
Valine | 4.75 | 0.127 | 16.7 | 0.082 | 4 | 0.118 | 12.4* | 0.003 |
Mannose 6-phosphate | 1.47* | 0.020 | 14.1 | 0.364 | 3.33* | 0.008 | 6.58 | 0.131 |
Adenine | 2.68 | 0.509 | 11 | 0.122 | 4.83 | 0.463 | 16.6* | 0.011 |
9.76 174 276 186 248 N-metabolite | 2.53 | 0.414 | 9.21* | 0.038 | 10.4 | 0.414 | 17.7 | 0.251 |
Alanine | 1.87 | 0.194 | 8.86 | 0.145 | 6.16 | 0.202 | 11.3* | 0.010 |
Monostearin | 1.55 | 0.437 | 8 | 0.075 | 1.65* | 0.040 | 15.5* | 0.007 |
Stearic acid | 1.84 | 0.173 | 7.96 | 0.174 | 2.26* | 0.023 | 27.1 | 0.086 |
Glucose 6-phosphate | 1.62 | 0.244 | 7.83 | 0.253 | 8.4* | 0.004 | 9.3 | 0.128 |
10.81 218 202 320 100 N-metabolite | 2.9 | 0.061 | 7.5 | 0.076 | 1.81 | 0.354 | 7.64* | 0.024 |
13.30 299 315 357 328 211 P-metabolite | 1.35 | 0.081 | 7.36* | 0.017 | 7.52 | 0.120 | 29.6 | 0.088 |
15.23 218 203 244 N-metabolite | 1.98 | 0.414 | 7.09* | 0.017 | 2.58* | 0.017 | 14.4 | 0.062 |
Lysine | 1.74 | 0.496 | 6.67* | 0.007 | 9.3 | 0.393 | 20.1 | 0.084 |
8.92 259 274 184 | 2.24 | 0.032 | 5.08 | 0.303 | 2.33* | 0.009 | 8.27 | 0.141 |
15.2 347 glycoside | 3.25 | 0.213 | 4.71 | 0.391 | 0.352** | 0.006 | 1.18 | 0.174 |
6.96 245 260 102 organic acid | 1.8 | 0.638 | 4.54 | 0.057 | 2.21 | 0.532 | 4.37* | 0.013 |
Threonine | 1.4 | 0.155 | 4.46 | 0.051 | 2.33* | 0.038 | 1.52 | 0.100 |
Palmitic acid | 2.03 | 0.139 | 4.17 | 0.305 | 2.54* | 0.027 | 11.8* | 0.001 |
Azelaic acid | 1.15 | 0.573 | 3.33 | 0.368 | 1.55* | 0.024 | 4.64 | 0.175 |
Isostearic acid | 1.08 | 0.516 | 3.32 | 0.237 | 1.15 | 0.242 | 7.18* | 0.015 |
10.89 218 191 100 362 | 2.5* | 0.012 | 3.23 | 0.130 | 0.87 | 0.501 | 2.75* | 0.028 |
11.33 299 211 328 415 175 P-metabolite | 0.679 | 0.231 | 3.1* | 0.026 | 3.09* | 0.004 | 0.885 | 0.782 |
Glycine | 1.53 | 0.391 | 2.67* | 0.046 | 1.52 | 0.256 | 2.56 | 0.226 |
Isopalmitic acid | 1.43 | 0.144 | 2.53 | 0.379 | 1.55 | 0.073 | 6.14* | 0.033 |
Thymine | 1.05 | 0.921 | 2.42 | 0.291 | 1.82 | 0.196 | 2.73* | 0.036 |
Phosphate | 1.28 | 0.451 | 2.21 | 0.158 | 1.73 | 0.125 | 3.02* | 0.013 |
Citramalic acid | 0.864 | 0.645 | 2.03 | 0.092 | 1.92* | 0.041 | 2.9* | 0.008 |
7.50 216 231 188 172 N-metabolite | 1.73 | 0.524 | 2.01* | 0.031 | 1.4 | 0.594 | 2.46 | 0.135 |
Glycerol | 0.664 | 0.007 | 1.77 | 0.284 | 1.43* | 0.037 | 2.86 | 0.241 |
Isoheptadecanoic acid | 1.11 | 0.689 | 1.65 | 0.537 | 1.2 | 0.472 | 2.94* | 0.020 |
Glucose | 1.04 | 0.791 | 1.29 | 0.697 | 1.38* | 0.021 | 2.79 | 0.215 |
Monopalmitin | 0.879 | 0.774 | 1.2 | 0.710 | 1.6 | 0.107 | 3.87* | 0.025 |
5′-Adenosine monophosphate | 0.29** | 0.009 | 0.644 | 0.589 | 2.72 | 0.364 | 0.531 | 0.349 |
2-Ethylbutylamine | 0.591 | 0.072 | 0.57 | 0.058 | 0.4** | 0.038 | 0.715 | 0.278 |
7.23 117 74 | 0.726 | 0.642 | 0.321** | 0.015 | 0.835 | 0.708 | 0.489 | 0.071 |
15.90 292 uronic acid conjugate | 0.268** | 0.028 | 0.0691** | 0.022 | 1.06 | 0.808 | 1.15 | 0.907 |