Targeted metabolite profiling to evaluate unintended metabolic changes of genetic modification in resveratrol-enriched rice (Oryza sativa L.)

Kim, Min Sung; Baek, So-Hyeon; Park, Sang Un; Im, Kyung-Hoan; Kim, Jae Kwang

doi:10.1007/s13765-017-0265-0

Applied Biological Chemistry

Table 1 Chromatographic and spectrometric data of polar and nonpolar compounds in transgenic (resveratrol-enriched) and non-transgenic rice

From: Targeted metabolite profiling to evaluate unintended metabolic changes of genetic modification in resveratrol-enriched rice (Oryza sativa L.)

Compound	RT^a	RRT^b	Mass fragment^c	Quantification ion^d
Polar compounds
Caproic acid	8.44	0.462	117, 173	173
Glycolic acid	8.50	0.466	147, 177, 205	177
Alanine (Ala)	9.11	0.499	116, 147, 190	190
Valine (Val)	11.13	0.610	144, 156, 218	218
Urea	11.41	0.625	147, 171, 189	189
Ethanolamine	11.43	0.626	100, 147, 174	174
Benzoic acid	11.62	0.636	105, 135, 179	179
Glycerol	12.05	0.660	147, 205, 218	218
Phosphoric acid	12.07	0.661	299, 314	314
Isoleucine (Ile)	12.40	0.679	147, 158, 218	158
Nicotinic acid	12.44	0.681	106. 136, 180	180
Proline (Pro)	12.48	0.683	142, 158, 216	216
Succinic acid	12.58	0.689	147, 172, 247	247
Glycine	12.62	0.691	147, 174, 248	248
Glyceric acid	12.96	0.710	133, 189, 292	292
Fumaric acid	13.05	0.715	143, 217, 245	245
Uracil	13.07	0.716	241, 255	255
Serine (Ser)	13.38	0.733	204, 278, 306	306
Threonine (Thr)	13.80	0.756	117, 218, 291	291
β-Alanine	14.36	0.786	147, 174, 248	174
Malic acid	15.17	0.831	189, 233, 245	233
Aspartic acid (Asp)	15.59	0.854	232, 306, 334	334
Methionine (Met)	15.61	0.855	176, 250, 293	176
4-Aminobutyric acid (GABA)	15.75	0.863	147, 174, 304	304
Pyroglutamic acid	15.70	0.860	147, 156, 230	156
Threonic acid	16.17	0.886	205, 220, 292	292
Glutamic acid (Glu)	16.83	0.922	128, 348, 363	363
Phenylalanine (Phe)	17.00	0.931	100, 192, 218	218
Xylose	17.40	0.953	103, 277, 307	307
Asparagine (Asn)	17.47	0.957	231, 333, 348	348
Ribitol^e	18.26	1.000	217, 307, 319	319
Glutamine (Gln)	18.65	1.022	245, 347, 362	362
Citric acid	19.24	1.054	273, 347, 363	363
Fructose	19.94	1.092	217, 277, 307	307
Fructose	20.02	1.097	217, 277, 307	307
Mannose	20.27	1.110	147, 205, 319	319
Mannitol	20.57	1.127	205, 217, 319	319
Glucose	20.93	1.147	147, 204, 217	204
Inositol	22.19	1.215	217, 305, 318	318
Tryptophan	23.27	1.275	202, 219,377	202
Sucrose	27.05	1.482	217, 361, 437	437
Trehalose	28.07	1.538	217, 271, 361	361
Nonpolar compounds
Eicosanol (C20)	10.43	0.782	355	355
Heneicosanol (C21)	10.98	0.823	369	369
Docosanol (C22)	11.50	0.862	383	383
Tricosanol (C23)	12.02	0.901	397	397
Tetracosanol (C24)	12.49	0.936	411	411
5α-Cholestane^e	13.34	1.000	217	217
Hexacosanol (C26)	13.43	1.006	439	439
γ-Tocopherol	13.84	1.037	263, 223	223
Heptacosanol (C27)	13.89	1.041	453	453
Octacosanol (C28)	14.40	1.079	467	467
γ-Tocotrienol	14.50	1.087	223, 261	223
α-Tocopherol	14.65	1.098	237, 277	237
Campesterol	15.56	1.166	343, 367, 382	343
Triacontanol (C30)	15.59	1.169	496	496
Stigmasterol	15.76	1.181	255, 355, 394	394
β-Sitosterol	16.20	1.214	255, 357, 396	357

^aRetention time (min)
^bRelative retention time (retention time of analyte/retention time of internal standard)
^cList of ions, with the specific mass ion highlighted in bold
^dSpecific mass ion used for quantification
^eInternal standard

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