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. 2016 Jun 22;21(6):816. doi: 10.3390/molecules21060816

Table 1.

Discriminant metabolites from the non-treated (GB) and UHP-treated (UGB) ginseng berry samples identified using GC-TOF-MS.

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).