Table 1.

Identification and quantification results of the 27 standard compounds from analyzing samples I and II using ADAP-GC 3.0

No.		Sample I (7 samples)					Sample II (8 samples)
	Compound Name	RT (min)	Massa	R2	Scoreb	Countc	RT (min)	Mass	R2	Score	Count
1	Pyruvic acid	5.17	174	0.999	933	7	5.17	174	0.977	939	8
2	Propanoic acid	5.34	117	0.999	981	7	5.34	117	0.996	976	8
3	β-Amino isobutyric acid	7.47	102	0.999	938	7	7.47	102	0.885	897	8
4	L-leucine	8.4	158	0.999	915	7	8.4	158	0.998	852	8
5	isoleucine	8.73	158	0.998	856	7	8.74	158	0.998	847	8
6	Proline	8.78	142	0.999	982	7	8.78	142	0.998	938	8
7	Glyceric acid	9.34	73	0.998	974	7	9.34	189	0.996	968	8
8	Threonine	10.31	117	0.998	954	7	10.31	117	0.996	975	8
9	5-oxoproline	12.8	156	1	924	7	12.81	157	0.994	916	8
10	L-Cysteine#	13.57	73	1	842	2	13.54	307	0.373	715	8*
11	Creatinine#	13.57	73	1	867	5	13.59	115	0.347	968	8
12	Citrulline	14.85	73	0.997	947	7	14.85	142	0.994	925	8
13	D-Xylose	15.93	73	0.999	939	7	15.94	103	0.993	842	8
14	Asparagine#	16.15	116	0.998	756	7	16.16	116	0.992	785	8*
13(2)	D-Xylose#	16.16	103	0.994	959	7	16.17	103	0.998	965	8
15	1,4-Butanediamine	17.59	174	0.996	958	7	17.6	174	0.999	955	8
16	Glycerolphosphate	18.51	73	0.998	890	7	18.52	299	0.853	847	8
17	Chlorophenylalanine	18.95	218	NAd	954	7	18.96	218	NA	932	8
18	Citric acid#	19.81	183	0.997	933	7	19.85	273	0.891	946	8
19	Isocitric acid#	19.87	245	0.997	901	7*	19.89	245	0.978	834	8
20	L-Histidine#	21.93	154	0.995	893	7*	21.95	154	0.958	899	8
21	L-Lysine#	21.96	174	0.994	950	7	21.97	174	0.992	908	8
22	Mannitol	22.61	73	0.997	945	7	22.63	103	0.859	942	8
23	Galic acid	22.87	73	0.999	970	7	22.88	281	0.961	912	8
24	N-Acetyl glucosamine methoxime	25.97	202	0.998	888	7	25.96	129	0.996	848	8*
25	L-tryptophan	27.94	73	0.997	965	7	27.94	202	0.995	964	8
26	Adenosine	31.38	73	0.996	894	7	31.38	230	0.995	927	8
27	Guanosine	32.31	73	0.993	770	7	32.31	324	0.991	865	8
	Average value			0.998	917				0.926	903

^*Specific improvements achieved by ADAP-GC 3.0 in terms of compound identification as compared to what is achieved by ADAP-GC 2.0.

^aquantitation mass.

^bAverage matching score of the same compound identified in up to seven data files. Identification was accomplished by matching the spectra against a library of mass spectra for standard compounds.

^cThe number of samples in which a compound is identified.

^dThe R² value was not calculated because chlorophenylalanine is the internal standard.

^#Four pairs of co-eluting compounds.