Clustering data with hclust algorithm for (Study ST003032)
HILIC NEGATIVE ION MODE (Analysis AN004972)| Metabolite | Structure | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 | F18 | F19 | F20 | F21 | F22 | F23 | F24 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| mannitol/sorbitol | ME782295 | 3.01 | 3.06 | 3.02 | 2.95 | 3.16 | 3.17 | 2.16 | 3.14 | 0.05 | 0.05 | 0.05 | 0.05 | 0.05 | 0.05 | 0.05 | 0.05 | 0.05 | 0.05 | 0.05 | 0.05 | 0.05 | 0.05 | 0.06 | 0.05 |
| 2,3-dimethylsuccinate | ME782228 | 0.20 | 0.21 | 0.22 | 0.22 | 0.22 | 0.23 | 0.23 | 0.23 | 2.53 | 2.53 | 2.56 | 2.58 | 2.51 | 2.56 | 2.48 | 2.56 | 0.22 | 0.23 | 0.24 | 0.22 | 0.22 | 0.23 | 0.22 | 0.22 |
| 2-isopropylmalate | ME782233 | 0.42 | 0.40 | 0.38 | 0.41 | 0.41 | 0.38 | 3.62 | 0.40 | 0.40 | 0.40 | 0.40 | 0.40 | 0.40 | 0.38 | 0.41 | 0.42 | 0.40 | 0.39 | 0.39 | 0.41 | 0.39 | 0.40 | 3.61 | 0.40 |
| salicylate | ME782316 | 0.27 | 0.24 | 0.26 | 0.28 | 0.26 | 0.25 | 4.25 | 0.28 | 0.26 | 0.25 | 0.25 | 0.26 | 0.26 | 0.27 | 0.24 | 0.27 | 0.27 | 0.24 | 0.24 | 0.29 | 0.24 | 0.24 | 4.17 | 0.25 |
| isocitric lactone | ME782289 | 0.92 | 1.42 | 0.93 | 0.91 | 2.30 | 2.24 | 1.58 | 2.19 | 0.62 | 0.65 | 0.81 | 0.66 | 0.65 | 0.64 | 0.75 | 0.86 | 0.64 | 0.86 | 0.71 | 0.66 | 0.85 | 0.60 | 0.91 | 0.68 |
| mannose | ME782296 | 1.86 | 1.94 | 1.71 | 2.06 | 1.93 | 2.00 | 1.54 | 2.25 | 0.48 | 0.47 | 0.54 | 0.42 | 0.45 | 0.48 | 0.46 | 0.48 | 0.47 | 0.46 | 0.42 | 0.45 | 0.46 | 0.53 | 0.58 | 0.50 |
| N-carbamoylaspartate | ME782303 | 0.47 | 1.93 | 0.47 | 1.60 | 0.56 | 0.46 | 0.98 | 2.02 | 0.47 | 0.44 | 1.49 | 0.43 | 1.40 | 0.48 | 0.85 | 0.78 | 0.55 | 1.53 | 0.46 | 1.04 | 0.98 | 0.50 | 1.52 | 1.71 |
| glucarate (saccharate) | ME782277 | 0.22 | 0.22 | 0.24 | 0.28 | 0.31 | 0.23 | 1.26 | 0.26 | 1.10 | 1.20 | 1.26 | 0.80 | 1.02 | 0.90 | 1.03 | 0.93 | 1.21 | 1.17 | 1.08 | 1.25 | 1.11 | 1.22 | 1.65 | 1.51 |
| galactonate | ME782275 | 0.25 | 0.21 | 0.20 | 0.22 | 0.22 | 0.22 | 0.70 | 0.22 | 1.33 | 1.50 | 1.30 | 1.17 | 1.27 | 1.34 | 1.30 | 1.35 | 1.15 | 1.21 | 1.26 | 1.22 | 1.25 | 1.29 | 1.71 | 1.27 |
| gluconate | ME782278 | 0.14 | 0.13 | 0.13 | 0.14 | 0.13 | 0.12 | 1.13 | 0.14 | 1.10 | 1.11 | 1.20 | 1.18 | 1.21 | 1.15 | 1.19 | 1.23 | 1.17 | 1.28 | 1.25 | 1.25 | 1.26 | 1.11 | 1.65 | 1.16 |
| galacturonate | ME782276 | 0.46 | 0.34 | 0.33 | 0.36 | 0.33 | 0.41 | 0.81 | 0.37 | 1.16 | 1.09 | 1.50 | 1.08 | 1.13 | 1.05 | 1.18 | 1.07 | 1.19 | 1.03 | 0.93 | 1.64 | 0.93 | 1.55 | 1.49 | 1.14 |
| glucuronate | ME782280 | 0.38 | 0.39 | 0.40 | 0.41 | 0.44 | 0.45 | 0.84 | 0.43 | 1.15 | 1.16 | 1.31 | 1.24 | 1.20 | 1.14 | 1.27 | 1.34 | 1.22 | 1.30 | 1.21 | 1.33 | 1.24 | 1.20 | 1.27 | 1.19 |
| 2-hydroxyadipate | ME782230 | 0.58 | 0.57 | 0.56 | 0.60 | 0.55 | 0.56 | 0.77 | 0.55 | 1.27 | 1.29 | 1.25 | 1.26 | 1.15 | 1.25 | 1.21 | 1.17 | 1.13 | 1.08 | 1.20 | 1.18 | 1.13 | 1.11 | 1.20 | 1.20 |
| chiro-inositol | ME782265 | 0.63 | 0.55 | 0.59 | 0.58 | 0.71 | 0.64 | 0.89 | 0.54 | 1.23 | 1.32 | 1.24 | 1.00 | 1.13 | 1.15 | 1.24 | 1.06 | 1.09 | 1.10 | 1.05 | 1.11 | 1.17 | 1.06 | 1.31 | 1.07 |
| arabonate/xylonate | ME782263 | 0.43 | 0.43 | 0.44 | 0.44 | 0.45 | 0.40 | 1.04 | 0.42 | 1.14 | 1.15 | 1.18 | 1.18 | 1.13 | 1.16 | 1.15 | 1.15 | 1.17 | 1.17 | 1.18 | 1.19 | 1.15 | 1.13 | 1.50 | 1.17 |
| 3-hydroxy-3-methylglutarate | ME782239 | 0.55 | 0.58 | 0.57 | 0.57 | 0.58 | 0.56 | 1.14 | 0.58 | 1.02 | 1.06 | 1.21 | 1.08 | 1.12 | 1.08 | 1.13 | 1.22 | 1.04 | 1.21 | 1.20 | 1.16 | 1.21 | 1.02 | 1.24 | 1.16 |
| gulonate* | ME782287 | 0.54 | 0.53 | 0.54 | 0.55 | 0.56 | 0.50 | 0.97 | 0.58 | 1.05 | 1.18 | 1.22 | 1.18 | 1.13 | 1.21 | 1.11 | 1.22 | 1.18 | 1.16 | 1.15 | 1.06 | 1.14 | 1.09 | 1.38 | 1.07 |
| tricarballylate | ME782323 | 0.93 | 1.11 | 1.45 | 0.91 | 0.84 | 0.84 | 1.14 | 1.29 | 0.94 | 1.21 | 0.74 | 0.48 | 0.81 | 0.76 | 0.82 | 0.44 | 1.48 | 0.68 | 1.00 | 1.26 | 1.35 | 1.50 | 1.19 | 0.70 |
| succinate | ME782320 | 0.71 | 0.66 | 1.09 | 0.81 | 0.68 | 0.86 | 0.82 | 0.76 | 1.23 | 0.96 | 0.89 | 1.06 | 0.93 | 0.91 | 1.32 | 1.58 | 1.52 | 1.49 | 0.81 | 1.09 | 0.85 | 1.49 | 0.91 | 0.83 |
| 2,3-dihydroxyisovalerate | ME782227 | 0.74 | 0.75 | 0.74 | 0.76 | 0.74 | 0.76 | 2.07 | 0.77 | 0.76 | 0.76 | 0.77 | 0.75 | 0.72 | 0.74 | 0.75 | 0.74 | 0.75 | 0.73 | 0.74 | 0.76 | 0.74 | 0.74 | 2.09 | 0.78 |
| 5-acetylamino-6-formylamino-3-methyluracil | ME782254 | 0.76 | 0.71 | 0.79 | 0.73 | 0.75 | 0.69 | 2.22 | 0.71 | 0.64 | 0.66 | 0.66 | 0.65 | 0.63 | 0.65 | 0.66 | 0.65 | 0.80 | 0.83 | 0.81 | 0.76 | 0.78 | 0.74 | 2.23 | 0.77 |
| citraconate/glutaconate | ME782266 | 0.91 | 0.88 | 0.89 | 0.90 | 0.87 | 0.91 | 1.60 | 0.90 | 0.87 | 0.89 | 0.89 | 0.87 | 0.84 | 0.87 | 0.88 | 0.85 | 0.83 | 0.83 | 0.87 | 0.83 | 0.78 | 0.83 | 1.56 | 0.86 |
| erythritol | ME782270 | 0.85 | 0.87 | 0.88 | 0.86 | 0.83 | 0.88 | 1.61 | 0.89 | 0.86 | 0.86 | 0.87 | 0.86 | 0.84 | 0.85 | 0.85 | 0.85 | 0.88 | 0.85 | 0.86 | 0.87 | 0.87 | 0.84 | 1.59 | 0.86 |
| fructose | ME782273 | 0.62 | 0.62 | 0.80 | 0.63 | 0.77 | 0.69 | 1.69 | 0.58 | 0.89 | 0.86 | 0.94 | 0.91 | 0.84 | 0.86 | 1.01 | 0.92 | 1.05 | 0.78 | 1.03 | 0.92 | 0.82 | 0.87 | 1.61 | 0.78 |
| sucrose | ME782321 | 0.62 | 0.62 | 0.60 | 0.59 | 0.59 | 0.60 | 1.78 | 0.62 | 0.86 | 0.96 | 0.87 | 0.87 | 0.87 | 0.87 | 0.85 | 0.86 | 0.85 | 0.87 | 0.87 | 0.88 | 0.88 | 0.88 | 2.04 | 0.88 |
| 2-oxoadipate | ME782235 | 1.26 | 1.28 | 1.31 | 1.07 | 1.26 | 1.29 | 1.58 | 1.22 | 0.70 | 0.78 | 0.76 | 0.72 | 0.69 | 0.76 | 0.76 | 0.74 | 0.79 | 0.76 | 0.84 | 0.72 | 0.76 | 0.81 | 1.28 | 0.76 |
| alpha-ketoglutarate | ME782260 | 1.05 | 1.10 | 1.13 | 0.98 | 1.14 | 1.08 | 1.59 | 1.03 | 0.75 | 0.82 | 0.87 | 0.74 | 0.78 | 0.82 | 0.84 | 0.85 | 0.79 | 0.90 | 0.93 | 0.77 | 0.83 | 0.81 | 1.34 | 0.86 |
| cysteine s-sulfate | ME782267 | 1.30 | 1.40 | 1.31 | 1.26 | 1.33 | 1.30 | 1.22 | 1.28 | 0.82 | 0.83 | 0.85 | 0.82 | 0.86 | 0.85 | 0.81 | 0.82 | 0.82 | 0.84 | 0.80 | 0.84 | 0.90 | 0.84 | 0.96 | 0.84 |
| glycerophosphoglycerol | ME782284 | 1.51 | 1.49 | 1.43 | 1.38 | 1.38 | 1.45 | 1.41 | 1.45 | 0.75 | 0.77 | 0.80 | 0.78 | 0.73 | 0.78 | 0.81 | 0.81 | 0.69 | 0.74 | 0.69 | 0.72 | 0.73 | 0.69 | 0.91 | 0.75 |
| hypotaurine | ME782288 | 0.93 | 0.66 | 1.33 | 0.87 | 1.04 | 1.04 | 1.11 | 0.83 | 0.91 | 1.00 | 1.13 | 0.90 | 0.91 | 1.15 | 0.91 | 0.99 | 1.03 | 0.89 | 1.06 | 0.91 | 0.99 | 0.93 | 1.14 | 1.21 |
| allantoic acid | ME782257 | 1.22 | 1.13 | 1.11 | 1.13 | 1.15 | 1.17 | 1.11 | 1.17 | 0.92 | 0.92 | 0.91 | 0.91 | 0.93 | 0.94 | 0.92 | 0.92 | 0.86 | 0.94 | 0.93 | 0.92 | 0.86 | 0.85 | 0.98 | 0.95 |
| threonate | ME782322 | 1.22 | 1.20 | 1.17 | 1.23 | 1.16 | 1.24 | 1.13 | 1.19 | 0.88 | 0.87 | 0.88 | 0.96 | 0.91 | 0.92 | 0.86 | 0.92 | 0.89 | 0.87 | 0.91 | 0.98 | 0.88 | 0.81 | 0.93 | 0.86 |
| 2-keto-3-deoxy-gluconate | ME782234 | 1.03 | 1.13 | 1.03 | 1.05 | 1.02 | 1.06 | 1.23 | 1.11 | 0.93 | 0.86 | 1.00 | 0.93 | 0.88 | 0.78 | 0.89 | 0.92 | 0.84 | 0.91 | 0.88 | 0.95 | 0.92 | 0.90 | 1.18 | 0.92 |
| pyruvate | ME782311 | 1.09 | 1.14 | 1.10 | 1.06 | 1.07 | 1.07 | 1.34 | 1.05 | 0.94 | 0.90 | 0.88 | 0.85 | 0.79 | 0.89 | 0.91 | 0.89 | 0.88 | 0.87 | 0.93 | 0.80 | 0.80 | 0.89 | 1.21 | 0.90 |
| ribonate | ME782314 | 1.11 | 1.14 | 1.11 | 1.10 | 1.07 | 1.13 | 1.29 | 1.17 | 0.90 | 0.88 | 0.87 | 0.90 | 0.90 | 0.89 | 0.87 | 0.91 | 0.85 | 0.84 | 0.85 | 0.91 | 0.86 | 0.81 | 1.13 | 0.86 |
| ribulonate/xylulonate* | ME782315 | 1.11 | 1.10 | 1.09 | 1.12 | 1.10 | 1.13 | 1.37 | 1.13 | 0.86 | 0.83 | 0.84 | 0.88 | 0.85 | 0.83 | 0.83 | 0.86 | 0.87 | 0.85 | 0.85 | 0.89 | 0.87 | 0.81 | 1.20 | 0.86 |
| glutarate (C5-DC) | ME782281 | 0.97 | 0.95 | 0.88 | 1.11 | 0.98 | 0.96 | 0.92 | 0.97 | 1.05 | 1.06 | 1.06 | 1.08 | 1.03 | 1.01 | 0.96 | 0.99 | 1.02 | 0.92 | 0.88 | 1.05 | 1.00 | 0.98 | 1.02 | 1.05 |
| 3-hydroxy-2-methylbutyrate | ME782238 | 1.02 | 1.08 | 0.99 | 1.01 | 1.10 | 1.01 | 1.00 | 1.21 | 1.03 | 1.01 | 1.06 | 1.14 | 1.14 | 1.14 | 1.07 | 1.16 | 0.93 | 0.90 | 0.90 | 0.81 | 0.85 | 0.89 | 0.88 | 0.90 |
| 2-hydroxybutyrate/2-hydroxyisobutyrate | ME782231 | 1.05 | 1.05 | 1.02 | 1.06 | 1.03 | 1.07 | 1.09 | 1.06 | 1.02 | 1.05 | 1.07 | 1.03 | 1.03 | 1.03 | 1.04 | 1.04 | 0.86 | 0.88 | 0.87 | 0.91 | 0.86 | 0.89 | 0.97 | 0.88 |
| alpha-hydroxyisovalerate | ME782259 | 0.96 | 1.01 | 0.98 | 1.02 | 0.98 | 0.99 | 1.05 | 1.01 | 1.05 | 1.09 | 1.10 | 1.07 | 1.06 | 1.06 | 1.07 | 1.08 | 0.88 | 0.90 | 0.89 | 0.94 | 0.89 | 0.89 | 0.97 | 0.90 |
| dihydroorotate | ME782268 | 0.96 | 1.04 | 0.87 | 1.09 | 0.93 | 1.04 | 1.13 | 0.93 | 1.07 | 1.09 | 0.87 | 0.88 | 0.88 | 0.95 | 0.87 | 0.83 | 1.18 | 0.91 | 0.87 | 1.04 | 1.05 | 0.96 | 1.14 | 0.96 |
| 3-hydroxyphenylacetate | ME782242 | 0.97 | 0.97 | 1.06 | 1.07 | 0.90 | 1.08 | 1.28 | 0.96 | 0.80 | 0.93 | 0.87 | 0.88 | 0.96 | 0.92 | 0.91 | 0.93 | 0.88 | 1.07 | 0.91 | 0.99 | 0.80 | 1.00 | 1.19 | 0.92 |
| glycolate (hydroxyacetate) | ME782285 | 0.90 | 0.88 | 0.96 | 1.00 | 0.87 | 1.02 | 1.26 | 0.94 | 0.99 | 0.99 | 0.96 | 0.99 | 0.83 | 1.04 | 0.87 | 0.91 | 0.84 | 0.91 | 0.86 | 1.00 | 0.94 | 0.94 | 1.23 | 0.99 |
| xylose | ME782324 | 0.91 | 0.96 | 0.91 | 0.99 | 0.90 | 1.00 | 1.23 | 1.01 | 0.88 | 0.96 | 0.99 | 0.99 | 0.90 | 0.95 | 0.98 | 0.92 | 0.94 | 0.98 | 0.89 | 0.90 | 0.83 | 0.95 | 1.26 | 0.93 |
| N-methyltaurine | ME782304 | 0.93 | 0.95 | 0.93 | 0.91 | 0.90 | 0.92 | 1.39 | 0.96 | 0.90 | 0.91 | 0.90 | 0.89 | 0.87 | 0.92 | 0.87 | 0.91 | 0.92 | 1.00 | 1.04 | 0.93 | 0.92 | 0.86 | 1.34 | 0.88 |
| quinate | ME782312 | 0.94 | 0.90 | 0.91 | 0.91 | 0.89 | 0.94 | 1.32 | 0.90 | 0.92 | 0.93 | 0.93 | 0.93 | 0.92 | 0.94 | 0.92 | 0.94 | 0.91 | 0.94 | 0.93 | 0.93 | 0.91 | 0.92 | 1.34 | 0.94 |
| arabinose | ME782261 | 0.98 | 1.03 | 1.03 | 0.99 | 1.02 | 1.06 | 1.14 | 1.07 | 0.96 | 1.05 | 0.98 | 0.95 | 0.87 | 1.03 | 1.02 | 0.98 | 1.02 | 0.82 | 0.96 | 0.93 | 0.86 | 0.89 | 1.08 | 0.96 |
| 3-hydroxybutyrate (BHBA) | ME782240 | 1.04 | 1.06 | 1.06 | 1.03 | 1.00 | 1.06 | 1.24 | 1.05 | 0.99 | 0.96 | 0.97 | 0.99 | 0.93 | 0.98 | 1.00 | 0.99 | 0.87 | 0.78 | 0.85 | 0.87 | 0.86 | 0.79 | 1.14 | 0.84 |
| 5-acetylamino-6-amino-3-methyluracil | ME782253 | 1.02 | 1.02 | 1.05 | 1.04 | 0.98 | 0.97 | 1.18 | 1.03 | 0.91 | 0.99 | 0.96 | 0.96 | 0.92 | 0.97 | 0.96 | 0.99 | 0.92 | 0.96 | 0.91 | 0.96 | 0.88 | 0.92 | 1.11 | 0.90 |
| 3-hydroxyisobutyrate | ME782241 | 1.00 | 1.00 | 1.00 | 1.01 | 0.98 | 1.02 | 1.21 | 1.04 | 1.00 | 1.00 | 1.01 | 0.99 | 0.94 | 0.98 | 0.99 | 0.96 | 0.92 | 0.86 | 0.89 | 0.93 | 0.86 | 0.87 | 1.11 | 0.89 |
| 3-hydroxy-2-ethylpropionate | ME782237 | 0.99 | 1.00 | 1.00 | 0.99 | 0.95 | 1.02 | 1.24 | 1.00 | 0.97 | 0.96 | 0.98 | 0.98 | 0.94 | 0.96 | 0.96 | 0.98 | 0.91 | 0.88 | 0.92 | 0.93 | 0.88 | 0.87 | 1.16 | 0.88 |
| lactate | ME782290 | 1.00 | 0.99 | 1.00 | 0.98 | 0.96 | 1.00 | 1.20 | 1.01 | 0.98 | 0.96 | 0.96 | 0.99 | 0.98 | 1.00 | 0.97 | 0.98 | 0.91 | 0.90 | 0.93 | 0.95 | 0.89 | 0.87 | 1.15 | 0.89 |
| 3-methyl-2-oxobutyrate | ME782245 | 1.02 | 1.04 | 1.08 | 0.98 | 1.07 | 1.08 | 1.21 | 0.92 | 0.92 | 0.99 | 1.02 | 0.92 | 0.89 | 0.96 | 0.98 | 1.00 | 0.89 | 0.90 | 0.94 | 0.89 | 0.90 | 0.82 | 1.15 | 0.91 |
| orotidine | ME782308 | 1.07 | 1.04 | 1.07 | 1.04 | 1.04 | 1.08 | 1.21 | 1.08 | 0.93 | 0.95 | 0.94 | 0.94 | 0.89 | 0.93 | 0.92 | 0.93 | 0.93 | 0.90 | 0.95 | 0.94 | 0.92 | 0.88 | 1.10 | 0.92 |
| phenylacetylglutamate | ME782309 | 1.06 | 1.07 | 1.07 | 1.08 | 1.06 | 1.08 | 1.21 | 1.06 | 0.90 | 0.93 | 0.93 | 0.93 | 0.88 | 0.93 | 0.92 | 0.94 | 0.90 | 0.91 | 0.93 | 0.93 | 0.92 | 0.88 | 1.09 | 0.94 |
| guanidinosuccinate | ME782286 | 0.86 | 0.90 | 0.92 | 0.90 | 0.85 | 0.88 | 1.14 | 0.92 | 1.02 | 0.99 | 1.03 | 0.96 | 0.92 | 0.97 | 0.98 | 1.03 | 1.03 | 0.98 | 0.97 | 1.04 | 1.00 | 1.05 | 1.16 | 1.03 |
| sedoheptulose | ME782318 | 1.05 | 0.87 | 1.00 | 0.90 | 0.91 | 0.93 | 1.09 | 0.91 | 0.99 | 1.01 | 1.01 | 0.98 | 0.95 | 0.99 | 1.01 | 1.03 | 0.98 | 0.99 | 0.98 | 1.02 | 0.97 | 0.96 | 1.14 | 1.01 |
| allantoin | ME782258 | 0.92 | 0.95 | 0.99 | 0.94 | 0.89 | 0.89 | 1.12 | 0.92 | 0.94 | 1.03 | 0.99 | 0.96 | 0.98 | 0.97 | 0.98 | 0.99 | 0.93 | 1.05 | 0.97 | 1.03 | 1.02 | 0.98 | 1.13 | 0.97 |
| arabitol/xylitol | ME782262 | 0.89 | 0.92 | 0.93 | 0.90 | 0.90 | 0.92 | 1.08 | 0.94 | 1.02 | 0.99 | 1.01 | 1.03 | 0.98 | 1.01 | 0.99 | 1.01 | 1.00 | 1.01 | 1.01 | 1.02 | 1.01 | 0.98 | 1.11 | 1.01 |
| maleate | ME782292 | 0.94 | 0.91 | 0.95 | 0.93 | 0.90 | 0.94 | 1.14 | 0.93 | 1.00 | 0.98 | 0.99 | 1.00 | 0.95 | 0.99 | 0.97 | 0.96 | 0.98 | 0.96 | 0.99 | 1.00 | 0.96 | 0.96 | 1.17 | 0.97 |
| suberate (C8-DC) | ME782319 | 0.93 | 0.90 | 0.92 | 0.89 | 0.89 | 0.93 | 1.12 | 0.91 | 0.97 | 0.98 | 0.98 | 1.02 | 0.98 | 1.00 | 0.98 | 0.96 | 1.04 | 0.99 | 1.03 | 1.01 | 0.97 | 0.96 | 1.18 | 0.97 |
| N-acetylserine | ME782301 | 0.91 | 0.98 | 0.98 | 1.06 | 0.97 | 1.02 | 1.05 | 1.01 | 1.00 | 1.04 | 0.99 | 0.96 | 0.93 | 1.05 | 0.97 | 1.01 | 0.92 | 1.00 | 0.97 | 0.96 | 0.99 | 1.03 | 1.04 | 1.00 |
| glycerate | ME782282 | 1.04 | 1.01 | 0.98 | 1.05 | 0.99 | 1.02 | 1.00 | 1.04 | 1.00 | 1.02 | 1.01 | 1.05 | 0.99 | 1.01 | 1.01 | 1.02 | 0.95 | 0.95 | 0.95 | 1.05 | 0.95 | 0.93 | 0.96 | 0.96 |
| N-carbamoylalanine | ME782302 | 0.95 | 1.00 | 0.98 | 1.00 | 0.98 | 1.00 | 0.98 | 0.99 | 0.99 | 1.01 | 1.05 | 1.00 | 0.98 | 1.01 | 1.02 | 1.02 | 1.00 | 1.00 | 1.01 | 1.03 | 0.97 | 0.97 | 1.00 | 1.02 |
| mesaconate (methylfumarate) | ME782297 | 1.05 | 0.91 | 1.04 | 1.02 | 0.99 | 1.08 | 1.10 | 1.00 | 0.97 | 0.94 | 0.90 | 0.96 | 0.93 | 0.96 | 0.96 | 0.89 | 1.05 | 0.98 | 0.98 | 1.00 | 0.96 | 1.03 | 1.05 | 1.02 |
| 3-hydroxysebacate | ME782244 | 0.95 | 0.95 | 0.94 | 0.92 | 0.93 | 0.98 | 1.21 | 0.97 | 0.95 | 0.93 | 0.93 | 0.97 | 0.94 | 0.95 | 0.94 | 0.94 | 0.98 | 0.96 | 0.99 | 0.97 | 0.96 | 0.93 | 1.22 | 0.94 |
| 3-methylglutaconate | ME782247 | 0.99 | 1.02 | 0.99 | 1.01 | 0.97 | 1.01 | 1.16 | 1.02 | 0.95 | 0.94 | 0.95 | 0.96 | 0.92 | 0.96 | 0.94 | 0.95 | 0.96 | 0.97 | 0.97 | 0.97 | 0.96 | 0.94 | 1.11 | 0.95 |
| caffeic acid sulfate | ME782264 | 0.99 | 1.03 | 0.98 | 1.01 | 0.98 | 0.99 | 1.07 | 1.01 | 0.97 | 0.98 | 0.98 | 0.99 | 0.96 | 0.98 | 0.97 | 0.98 | 0.95 | 0.97 | 0.95 | 1.00 | 1.03 | 0.96 | 1.06 | 0.97 |
| erythronate* | ME782271 | 1.03 | 1.01 | 0.99 | 0.99 | 1.00 | 1.01 | 1.07 | 1.01 | 0.98 | 0.96 | 0.96 | 0.99 | 0.97 | 0.99 | 0.97 | 0.96 | 1.01 | 0.98 | 1.02 | 1.00 | 0.97 | 0.96 | 1.04 | 0.95 |
| orotate | ME782307 | 1.01 | 1.00 | 1.03 | 0.99 | 0.97 | 1.00 | 1.09 | 1.01 | 0.96 | 0.98 | 0.95 | 0.97 | 0.98 | 0.99 | 0.95 | 0.98 | 0.98 | 0.98 | 1.01 | 1.00 | 0.96 | 0.95 | 1.07 | 0.97 |
| 2-hydroxyphenylacetate | ME782232 | 0.96 | 0.96 | 0.92 | 1.00 | 0.96 | 0.99 | 1.12 | 0.99 | 0.99 | 1.00 | 0.98 | 0.96 | 0.97 | 0.98 | 0.96 | 1.02 | 0.96 | 0.97 | 0.96 | 0.98 | 0.95 | 0.94 | 1.12 | 1.00 |
| mandelate | ME782294 | 0.97 | 0.94 | 0.96 | 0.97 | 0.95 | 0.98 | 1.14 | 0.99 | 0.98 | 0.99 | 0.89 | 0.97 | 0.99 | 0.98 | 0.95 | 0.97 | 1.03 | 0.94 | 0.99 | 0.99 | 0.98 | 0.98 | 1.14 | 0.92 |
| 3-hydroxypropanoate | ME782243 | 0.87 | 0.97 | 0.88 | 0.91 | 0.96 | 0.93 | 1.22 | 0.89 | 1.03 | 1.00 | 0.99 | 1.12 | 0.90 | 1.01 | 1.05 | 1.10 | 0.95 | 0.94 | 1.00 | 0.95 | 0.86 | 0.89 | 1.08 | 0.85 |
| dimethylmalonic acid | ME782269 | 0.77 | 0.95 | 0.91 | 0.97 | 0.97 | 0.95 | 1.10 | 0.87 | 1.04 | 0.93 | 0.93 | 1.00 | 0.92 | 1.13 | 0.99 | 1.07 | 0.93 | 0.99 | 0.97 | 1.05 | 1.10 | 0.92 | 1.12 | 0.98 |
| 3-methylglutarate/2-methylglutarate | ME782248 | 0.71 | 0.69 | 0.70 | 0.76 | 0.66 | 0.68 | 0.92 | 0.70 | 1.27 | 1.27 | 1.29 | 1.29 | 1.24 | 1.33 | 1.26 | 1.25 | 0.87 | 0.93 | 0.92 | 0.94 | 0.93 | 0.86 | 1.15 | 0.98 |
| malonate | ME782293 | 0.73 | 0.82 | 0.81 | 0.73 | 0.74 | 0.72 | 0.69 | 0.77 | 1.38 | 1.21 | 1.28 | 1.25 | 1.20 | 1.10 | 1.26 | 1.22 | 1.03 | 1.00 | 1.06 | 1.12 | 1.06 | 1.04 | 1.00 | 1.05 |
| 5-(galactosylhydroxy)-L-lysine | ME782252 | 0.69 | 0.70 | 0.71 | 0.72 | 0.71 | 0.70 | 1.05 | 0.71 | 0.96 | 0.96 | 0.94 | 0.95 | 1.00 | 0.94 | 0.94 | 0.96 | 1.22 | 1.26 | 1.24 | 1.20 | 1.27 | 1.14 | 1.31 | 1.19 |
| 3-methyladipate | ME782246 | 0.83 | 0.84 | 0.86 | 0.83 | 0.84 | 0.88 | 1.20 | 0.80 | 1.03 | 0.96 | 1.02 | 1.05 | 0.93 | 1.01 | 0.96 | 0.94 | 1.02 | 0.98 | 1.06 | 0.97 | 0.99 | 0.98 | 1.29 | 0.94 |
| pimelate (C7-DC) | ME782310 | 0.81 | 0.83 | 0.84 | 0.82 | 0.79 | 0.75 | 1.25 | 0.85 | 0.99 | 0.95 | 0.95 | 0.89 | 0.96 | 0.97 | 0.94 | 0.97 | 0.98 | 1.02 | 1.13 | 0.99 | 0.97 | 0.94 | 1.36 | 0.99 |
| fumarate | ME782274 | 0.81 | 0.88 | 0.90 | 0.85 | 0.79 | 0.82 | 1.00 | 0.84 | 1.00 | 1.07 | 1.03 | 1.02 | 1.05 | 1.05 | 1.06 | 0.97 | 1.12 | 1.03 | 1.12 | 1.11 | 1.03 | 0.93 | 1.12 | 1.10 |
| ribitol | ME782313 | 0.85 | 0.87 | 0.86 | 0.90 | 0.89 | 0.86 | 1.06 | 0.90 | 0.98 | 1.06 | 1.07 | 0.99 | 0.99 | 1.01 | 1.01 | 1.10 | 0.94 | 1.04 | 0.96 | 1.03 | 1.04 | 0.98 | 1.15 | 1.10 |
| adipate (C6-DC) | ME782256 | 0.78 | 0.81 | 0.87 | 0.84 | 0.83 | 0.88 | 1.07 | 0.80 | 1.06 | 1.04 | 1.04 | 1.05 | 1.02 | 1.05 | 1.04 | 1.03 | 1.03 | 1.07 | 1.02 | 1.03 | 1.02 | 1.01 | 1.15 | 1.03 |
| 2-aminoadipate | ME782229 | 0.84 | 0.85 | 0.87 | 0.84 | 0.82 | 0.84 | 0.98 | 0.84 | 1.05 | 1.07 | 1.04 | 1.04 | 0.97 | 1.03 | 1.04 | 1.01 | 1.08 | 1.04 | 1.06 | 1.07 | 1.03 | 1.07 | 1.16 | 1.08 |
| N6-acetyllysine | ME782306 | 0.87 | 0.89 | 0.87 | 0.86 | 0.85 | 0.86 | 1.04 | 0.88 | 1.03 | 1.04 | 1.02 | 1.04 | 1.00 | 1.03 | 1.03 | 1.04 | 1.02 | 1.03 | 1.02 | 1.04 | 1.03 | 1.01 | 1.15 | 1.02 |
| 4-imidazoleacetate | ME782250 | 0.80 | 0.81 | 0.79 | 0.89 | 0.82 | 0.83 | 0.94 | 0.86 | 1.13 | 1.01 | 1.03 | 1.20 | 1.09 | 1.05 | 1.03 | 1.09 | 1.05 | 1.03 | 1.06 | 1.12 | 1.08 | 1.03 | 1.04 | 1.04 |
| 4-ureidobutyrate | ME782251 | 0.88 | 0.88 | 0.88 | 0.88 | 0.88 | 0.86 | 0.94 | 0.88 | 1.11 | 1.12 | 1.09 | 1.12 | 1.09 | 1.08 | 1.08 | 1.07 | 1.00 | 1.00 | 0.99 | 1.06 | 1.00 | 1.00 | 1.02 | 1.00 |
| 6-sialyl-N-acetyllactosamine | ME782255 | 0.76 | 0.81 | 0.71 | 0.78 | 0.75 | 0.75 | 1.02 | 0.85 | 0.93 | 0.92 | 1.10 | 0.94 | 1.20 | 1.02 | 1.00 | 1.03 | 1.02 | 1.10 | 0.97 | 1.07 | 1.04 | 1.03 | 1.36 | 1.33 |
| 3-sialyllactose | ME782249 | 0.74 | 0.73 | 0.72 | 0.72 | 0.70 | 0.70 | 1.02 | 0.72 | 1.01 | 0.95 | 1.05 | 0.99 | 1.09 | 1.03 | 1.06 | 1.07 | 1.08 | 1.09 | 1.02 | 1.08 | 1.07 | 1.12 | 1.37 | 1.21 |
| myo-inositol | ME782300 | 0.73 | 0.70 | 0.78 | 0.70 | 0.71 | 0.75 | 1.05 | 0.71 | 1.00 | 1.07 | 1.13 | 0.92 | 1.02 | 1.07 | 1.07 | 1.12 | 0.99 | 1.03 | 0.98 | 1.02 | 1.14 | 1.08 | 1.41 | 1.20 |
| lactose | ME782291 | 0.71 | 0.69 | 0.78 | 0.74 | 0.79 | 0.80 | 1.15 | 0.75 | 1.05 | 1.04 | 1.01 | 1.02 | 0.92 | 1.04 | 1.09 | 1.08 | 1.10 | 1.07 | 1.01 | 1.05 | 0.97 | 1.07 | 1.28 | 1.09 |
| ethylmalonate | ME782272 | 0.77 | 0.75 | 0.74 | 0.75 | 0.73 | 0.73 | 1.11 | 0.77 | 1.05 | 1.01 | 1.01 | 1.06 | 1.03 | 1.04 | 1.03 | 0.99 | 1.09 | 1.04 | 1.08 | 1.09 | 1.03 | 1.04 | 1.30 | 0.99 |
| glycerophosphoethanolamine | ME782283 | 0.71 | 0.78 | 0.72 | 0.70 | 0.76 | 0.78 | 1.13 | 0.75 | 0.99 | 1.04 | 1.06 | 0.97 | 1.04 | 1.05 | 1.05 | 1.02 | 1.02 | 1.08 | 1.13 | 1.04 | 1.10 | 1.03 | 1.31 | 1.07 |
| methylmalonate (MMA) | ME782298 | 0.67 | 0.74 | 0.74 | 0.71 | 0.74 | 0.76 | 0.91 | 0.75 | 1.11 | 1.12 | 1.22 | 1.15 | 1.14 | 1.09 | 1.17 | 1.20 | 1.01 | 1.11 | 1.12 | 1.09 | 1.11 | 1.02 | 1.08 | 1.09 |
| scyllo-inositol | ME782317 | 0.72 | 0.66 | 0.66 | 0.66 | 0.68 | 0.68 | 0.91 | 0.68 | 1.18 | 1.16 | 1.05 | 1.17 | 1.07 | 1.10 | 1.11 | 1.05 | 1.19 | 1.14 | 1.23 | 1.15 | 1.07 | 1.13 | 1.19 | 1.07 |
| 3^-a-sialyl-N-acetyllactosamine | ME782236 | 0.70 | 0.69 | 0.72 | 0.68 | 0.69 | 0.69 | 0.97 | 0.69 | 1.06 | 1.08 | 1.08 | 1.08 | 1.08 | 1.08 | 1.09 | 1.08 | 1.12 | 1.10 | 1.11 | 1.14 | 1.07 | 1.09 | 1.29 | 1.08 |
| glucose | ME782279 | 0.64 | 0.67 | 0.65 | 0.66 | 0.65 | 0.67 | 1.01 | 0.66 | 1.09 | 1.11 | 1.11 | 1.09 | 1.09 | 1.08 | 1.08 | 1.09 | 1.09 | 1.09 | 1.11 | 1.15 | 1.11 | 1.07 | 1.30 | 1.12 |
| methylsuccinate | ME782299 | 0.70 | 0.74 | 0.69 | 0.74 | 0.70 | 0.72 | 0.86 | 0.77 | 1.11 | 1.10 | 1.13 | 1.13 | 1.10 | 1.14 | 1.10 | 1.10 | 1.12 | 1.15 | 1.10 | 1.17 | 1.05 | 1.11 | 1.14 | 1.19 |
| N2-acetyllysine | ME782305 | 0.74 | 0.76 | 0.75 | 0.76 | 0.74 | 0.75 | 0.97 | 0.77 | 1.09 | 1.08 | 1.11 | 1.07 | 1.06 | 1.08 | 1.07 | 1.08 | 1.10 | 1.08 | 1.07 | 1.10 | 1.08 | 1.07 | 1.19 | 1.11 |
Factors:
| F1 | preservative:Borate | fridge_store_time:0 | thaw:1 fridge |
| F2 | preservative:Borate | fridge_store_time:0 | thaw:1 ice |
| F3 | preservative:Borate | fridge_store_time:0 | thaw:1 RT |
| F4 | preservative:Borate | fridge_store_time:0 | thaw:4 fridge |
| F5 | preservative:Borate | fridge_store_time:0 | thaw:4 ice |
| F6 | preservative:Borate | fridge_store_time:0 | thaw:4 RT |
| F7 | preservative:Borate | fridge_store_time:0 | thaw:none |
| F8 | preservative:Borate | fridge_store_time:24 | thaw:none |
| F9 | preservative:chlorhexidine | fridge_store_time:0 | thaw:1 fridge |
| F10 | preservative:chlorhexidine | fridge_store_time:0 | thaw:1 ice |
| F11 | preservative:chlorhexidine | fridge_store_time:0 | thaw:1 RT |
| F12 | preservative:chlorhexidine | fridge_store_time:0 | thaw:4 fridge |
| F13 | preservative:chlorhexidine | fridge_store_time:0 | thaw:4 ice |
| F14 | preservative:chlorhexidine | fridge_store_time:0 | thaw:4 RT |
| F15 | preservative:chlorhexidine | fridge_store_time:0 | thaw:none |
| F16 | preservative:chlorhexidine | fridge_store_time:24 | thaw:none |
| F17 | preservative:none | fridge_store_time:0 | thaw:1 fridge |
| F18 | preservative:none | fridge_store_time:0 | thaw:1 ice |
| F19 | preservative:none | fridge_store_time:0 | thaw:1 RT |
| F20 | preservative:none | fridge_store_time:0 | thaw:4 fridge |
| F21 | preservative:none | fridge_store_time:0 | thaw:4 ice |
| F22 | preservative:none | fridge_store_time:0 | thaw:4 RT |
| F23 | preservative:none | fridge_store_time:0 | thaw:none |
| F24 | preservative:none | fridge_store_time:24 | thaw:none |