Table 1.
RT (min) | Metabolites a | Mass | MS Fragment Ion b | VIP | TMS | Ref c |
---|---|---|---|---|---|---|
Amino Acids | ||||||
7.96 | Serine | 218 | 59, 100, 188, 204, 218 | 1.25 | 3 | STD |
8.21 | Threonine | 291 | 89, 101, 129, 203, 291 | 1.24 | 3 | STD |
9.35 | Aspartic acid | 232 | 100, 133, 188, 202, 232 | 1.06 | 3 | STD |
9.43 | GABA | 304 | 86, 100, 133, 216, 304 | 1.26 | 3 | STD |
9.78 | Hydroxyglutaric acid | 203 | 85, 129, 157, 203, 247 | 1.28 | 3 | MS |
10.13 | Glutamic acid | 246 | 84, 100, 204, 203, 246 | 1.28 | 3 | STD |
10.56 | Asparagine | 231 | 100, 116, 132, 188, 231 | 1.24 | 3 | STD |
14.26 | Tryptophan | 202 | 100, 131, 202, 218, 291 | 1.23 | 3 | STD |
Organic Acids | ||||||
4.93 | Lactic acid | 191 | 88, 101, 133, 191, 219 | 1.27 | 2 | STD |
5.74 | Ethylmalonic acid | 189 | 61, 103, 161, 189, 204 | 0.82 | 1 | MS |
9.08 | Malic acid | 233 | 101, 133, 189, 233, 335 | 1.28 | 3 | STD |
10.19 | Benzoic acid | 267 | 91, 193, 223, 267, 282 | 1.27 | 2 | MS |
11.54 | Shikimic acid | 255 | 93, 167, 189, 204, 255 | 1.28 | 4 | STD |
11.66 | Citric acid | 273 | 133, 245, 273, 319, 465 | 1.28 | 4 | MS |
12.96 | Gluconic acid | 171 | 89, 103, 129, 189, 217 | 1.25 | 5 | STD |
Sugars and Sugar Derivatives | ||||||
7.69 | Glyceric acid | 292 | 59, 89, 133, 189, 292 | 1.17 | 3 | MS |
9.27 | meso-Erythritol | 217 | 103, 133, 189, 205, 307 | 1.27 | 4 | MS |
11.01 | Ribitol | 319 | 103, 129, 189, 217, 319 | 1.14 | 5 | STD |
12.26 | Galactose | 319 | 103, 129, 160, 189, 205 | 1.23 | 5 | STD |
12.39 | Glucose | 319 | 103, 129, 189, 205, 319 | 1.28 | 5 | STD |
13.52 | myo-Inositol | 265 | 103, 129, 191, 265, 305 | 1.27 | 6 | STD |
16.58 | Turanose | 361 | 103, 129, 169, 191, 361 | 1.10 | 7 | MS |
Fatty Acids | ||||||
14.06 | Linoleic acid | 262 | 55, 81, 129, 164, 262 | 1.24 | 1 | STD |
14.22 | Stearic acid | 341 | 95, 129, 159, 195, 341 | 1.19 | 1 | STD |
a Metabolites identified based on the variable importance projection (VIP) analysis results (with a cut-off value of 0.7) and p < 0.05; b MS fragmentation is the fragmentation of the tentative compound; c MS mass spectrum was consistent with those of NIST and in-house libraries. Standard compound (STD) mass spectrum was consistent with that of the standard compounds. Retention time (RT), trimethylsilyl (TMS), Identification (ID).