Table 4.
Metabolites identified by Fisher ratio analysis at m/z 40 to m/z 400. tR, 1 and tR, 2 are the retention time in the first column and second column, respectively. The peak volume in ethylamine samples (Ve) and in succinate samples (Vs) were calculated by using PARAFAC (cross product of column 1 profile with column 2 profile and peak volume measured relative to baseline). Re/s is the ratio of Ve to Vs. The bold metabolites were quantified by the targeted metabolite analysis.
| Metabolites | tR, 1 (s) | tR, 2 (s) | Match value | Vs | Ve | Re/s |
|---|---|---|---|---|---|---|
| Pyruvate | 450.0 | 0.57 | 902 | 1.76e6 ±0.39e6 | 4.99e5 ± 0.95e5 | 0.28 ± 0.08 |
| Lactic acid | 460.5 | 0.62 | 960 | 2.21e6 ± 0.37e6 | 8.52e5 ± 1.19e5 | 0.39 ± 0.08 |
| Alanine | 502.5 | 1.39 | 925 | 4.21e6 ± 0.59e6 | 2.48e6 ± 0.37e6 | 0.59 ± 0.12 |
| 3-Hydroxybutyric acid | 559.5 | 0.65 | 878 | 2.76e6 ± 0.52e6 | 8.39e5 ± 1.42e5 | 0.30 ± 0.07 |
| Benzoic acid | 654.0 | 0.87 | 923 | 1.05e7 ± 0.19e7 | 3.62e6 ± 0.45e6 | 0.34 ± 0.07 |
| Glycerol | 684.0 | 0.36 | 904 | 1.67e7 ± 0.35e7 | 9.69e6 ± 1.74e6 | 0.58 ± 0.16 |
| Methylsuccinic acid | 729.0 | 0.95 | 882 | 2.26e5 ± 0.41e5 | 4.80e5 ± 0.72e5 | 2.22 ± 0.51 |
| Fumaric acid | 748.5 | 1.10 | 935 | 1.09e6 ± 0.23e6 | 1.52e5 ± 0.20e5 | 0.14 ± 0.03 |
| 2-Methylmalic acid | 880.5 | 0.71 | 831 | 6.61e5 ± 1.45e5 | 2.32e5 ± 0.44e5 | 0.35 ±0.10 |
| 3-Oxoglutaric acid | 906.0 | 0.57 | 739 | a | 7.31e6 ± 1.46e6 | b |
| 2-Hydroxyglutaric acid | 955.5 | 0.61 | 830 | a | 4.60e5 ±0.78e5 | b |
| α-Ketoglutaric acid | 969.0 | 0.80 | 929 | 1.37e6 ± 0.22e6 | 4.35e5 ± 0.65e5 | 0.32 ± 0.07 |
| Glycerol-3-phosphate | 1134.0 | 1.01 | 938 | 2.52e7 ± 0.53e7 | 1.01e7 ± 0.17e7 | 0.40 ± 0.10 |
| Citric acid | 1179.0 | 0.67 | 943 | 5.78e6 ± 1.32e6 | 1.27e6 ± 0.19e6 | 0.22 ± 0.06 |
| Myristic acid | 1186.5 | 0.56 | 928 | 5.25e6 ± 0.84e6 | 2.38e6 ± 0.45e6 | 0.45 ± 0.11 |
| Palmitic acid | 1332.0 | 0.56 | 936 | 3.19e7 ± 0.57e7 | 8.21e6 ±1.89e6 | 0.26 ± 0.07 |
a
: not detected
b
: not defined