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SeqIndex	HMDB_ID	Compound	LOQ	a||b||c	Intercept(High||Low)	Slope(High||Low)	rsq	adjrsq	Src	RT	RI	Concentration_threshold(uM)
1	HMDB0000023	3-hydroxyisobutyric	40	NA||NA||NA	NA||NA	NA||NA	NA	NA	Apr1116	9.61	1070.66	0
2	HMDB0000190	Lactic acid	4	NA||NA||NA	0.009512228||NA	0.611970957||NA	0.862	0.8528	Apr1116	9.44	1075	0
3	HMDB0000729	alpha-Hydroxylsobutyric acid	2	NA||NA||NA	NA||NA	NA||NA	NA	NA	Apr1116_Old	9.53	1090	0
4	HMDB0000005	2-oxobutanoic acid	20	NA||NA||NA	-0.023848951||NA	0.27212307||NA	0.6587	0.6277	Apr1116	10.92	1115.27	0
5	HMDB0000019	2-oxoisovaleric	20	NA||NA||NA	-0.004315936||NA	0.123258385||NA	0.9727	0.97	Apr1116	11.23	1126.05	0
6	HMDB0000008	2-hydroxybutyric	10	NA||NA||NA	-0.001083922||NA	0.210535835||NA	0.8949	0.8861	Apr1116	11.72	1141.73	0
7	HMDB0000060	acetoacetic	NA	NA||NA||NA	NA||NA	NA||NA	NA	NA	Apr1116	11.91	1148.8	0
8	HMDB0001987	2-Hydroxy-2-methylbutyric acid	6	NA||NA||NA	0.017912108||NA	0.31657055||NA	0.7679	0.7215	Apr1116	11.79	1149	0
9	HMDB0002329	oxalic	20	NA||NA||NA	0.000203218||NA	0.012690517||NA	0.9693	0.9642	Apr1116	11.9	1149.02	0
10	HMDB0001877	valproic	10	NA||NA||NA	0.007702349||NA	0.045652724||NA	0.7472	0.6967	Apr1116	12.29	1161.36	0
11	HMDB0000357	3-hydroxybutyric acid	1	NA||NA||NA	-0.003711077||NA	2.804099103||NA	0.9886	0.9848	Apr1116_Old	12.59	1173.34	0
12	HMDB0000407	2-Hydroxyisovaleric Acid	20	NA||NA||NA	-0.020228508||NA	1.754788177||NA	0.9814	0.98	Apr1116	12.82	1178.6	0
13	HMDB0001865	2-oxovaleric	10	NA||NA||NA	NA||NA	NA||NA	NA	NA	Apr1116	13.16	1189.07	0
14	HMDB0000491	2-oxo-3-methylvaleric	20	NA||NA||NA	NA||NA	NA||NA	NA	NA	Apr1116	13.27	1192.3	0
15	HMDB0000354	3-hydroxy-2-methylbutyric	20	NA||NA||NA	-0.001159021||NA	0.157834947||NA	0.9772	0.9757	Apr1116	13.75	1209.5	0
16	HMDB0000691	Malonic acid	NA	NA||NA||NA	-0.0011||NA	0.4358||NA	0.9083	0.8952	Apr1116	13.85	1216.28	0
17	HMDB0000754	3-Hydroxyisovaleric acid	2	NA||NA||NA	0.0045||NA	1.1519||NA	0.9892	0.9865	Apr1116_Old	13.95	1220.14	0
18	HMDB0000202	Methylmalonic acid	3	NA||NA||NA	0.010698426||NA	0.803484346||NA	0.964	0.955	Apr1116_Old	14.16	1228.29	0
19	HMDB0000396	2-ethyl-3-hydroxypropionic	10	NA||NA||NA	0.001739634||NA	0.846003152||NA	0.9785	0.9771	Apr1116	14.62	1244.02	0
20	HMDB0001870	Benzoic acid	35	NA||NA||NA	0.023341646||NA	0.350954019||NA	0.944	0.9347	Apr1116	14.74	1251.25	0
21	HMDB0000317	2-hydroxy-3-methylvaleric	10	NA||NA||NA	0.011149972||NA	1.039845538||NA	0.9634	0.9601	Apr1116	14.95	1256.2	0
22	HMDB0000622	Ethylmalonic acid	2	NA||NA||NA	0.034||NA	1.8306||NA	0.9973	0.9967	Apr1116_Old	15.82	1292.14	0
23	HMDB0000209	phenylacetic acid	NA	NA||NA||NA	-0.015247698||NA	2.359322569||NA	0.9938	0.9923	Apr1116_Old	16.07	1313.26	0
24	HMDB0000176	maleic	10	NA||NA||NA	-0.077935927||NA	1.23726462||NA	0.8671	0.8569	Apr1116	16.5	1316.17	0
25	HMDB0000254	Succinic acid	3	NA||NA||NA	-0.017333643||NA	0.493503254||NA	0.9749	0.9686	Apr1116_Old	16.6	1323.54	0
26	HMDB0001844	2-Methylsuccinic acid	6	NA||NA||NA	0.00496234||NA	0.486652325||NA	0.8065	0.7926	Apr1116	16.92	1337.82	0
27	HMDB0000139	glyceric	40	NA||NA||NA	-0.002642204||NA	0.018260791||NA	0.994	0.9928	Apr1116	17.27	1349.65	0
28	HMDB0000300	uracil	10	NA||NA||NA	-0.011918978||NA	0.38896536||NA	0.908	0.8988	Apr1116	17.33	1352.1	0
29	HMDB0000134	Fumaric Acid	20	NA||NA||NA	0.0646||NA	10.55||NA	0.9767	0.9749	Apr1116	17.28	1360.21	0
30	HMDB0000634	Methylmaleic acid (citraconic acid)	10	NA||NA||NA	-0.019181427||NA	0.71742087||NA	0.8767	0.8679	Apr1116	17.53	1364.09	0
31	HMDB0000525	5-hydroxyhexanoic	10	NA||NA||NA	0.009173163||NA	0.964696203||NA	0.8959	0.8873	Apr1116	17.73	1369.57	0
32	HMDB0000783	Propionylglycine	10	NA||NA||NA	-0.016035049||NA	0.288970335||NA	0.8965	0.8879	Apr1116	17.78	1371.16	0
33	HMDB0002453	4-Deoxythreonate	NA	NA||NA||NA	NA||NA	NA||NA	NA	NA	Apr1116	17.76	1373.8	0
34	HMDB0006024	Mevalonolactone	10	NA||NA||NA	-0.003915821||NA	0.114684181||NA	0.9549	0.9484	Apr1116	17.88	1375.92	0
35	HMDB0000661	Glutaric acid	8	NA||NA||NA	0.0186||NA	3.3577||NA	0.9902	0.9895	Apr1116	18.69	1414.04	0
36	HMDB0000764	Benzenepropanoic acid	10	NA||NA||NA	-0.065541129||NA	2.13871478||NA	0.9453	0.9375	Apr1116	18.82	1423.6	0
37	HMDB0000360	2,4-dihydroxybutanoic	NA	NA||NA||NA	20||NA	0.001167717||NA	0.4815	0.4296	Apr1116	19.11	0
38	HMDB0000752	3-methylglutaric	10	NA||NA||NA	-0.04436132||NA	2.615052268||NA	0.9396	0.9358	Apr1116	19.26	1436.39	0
39	HMDB0002441	3,3-dimethylglutaric	NA	NA||NA||NA	20||NA	-0.427649978||NA	0.8255	0.8131	Apr1116	19.51	0
40	HMDB0000808	butyrylglycine	10	NA||NA||NA	-0.01944872||NA	0.469932695||NA	0.8702	0.8594	Apr1116	19.61	1452.86	0
41	HMDB0000620	Glutaconic Acid	10	NA||NA||NA	-0.011310337||NA	0.802547815||NA	0.8967	0.8888	Apr1116	19.6	1462.02	0
42	HMDB0000426	2-methylmalic	63	NA||NA||NA	-0.038311218||NA	0.111699805||NA	0.9741	0.9708	Apr1116	20.362	1489.77	0
43	HMDB0000522	3-methylglutaconic acid (e)	1	NA||NA||NA	-0.112351537||NA	9.182466232||NA	0.9834	0.9793	Apr1116_Old	20.37	1492.07	0
44	HMDB0000223	oxaloacetic	NA	NA||NA||NA	NA||NA	NA||NA	NA	NA	Apr1116	20.45	1492.65	0
45	HMDB0000707	4-hydroxyphenylpyruvic	NA	NA||NA||NA	-0.000348511||NA	0.002241169||NA	0.84	0.7866	Apr1116	20.565	1497.75	0
46	HMDB0000448	Adipic acid	38	NA||NA||NA	0.205||NA	3.8082||NA	0.8726	0.8658	Apr1116	20.85	1516.33	0
47	HMDB0001895	2-Hydroxybenzoic acid (salicylic acid) (2TMS)	30	NA||NA||NA	0.044996073||NA	2.029333243||NA	0.997	0.9967	Apr1116	21.059	1523.26	0
48	HMDB0000678	isovalerylglycine	20	NA||NA||NA	NA||NA	NA||NA	NA	NA	Apr1116	21.13	1527.52	0
49	HMDB0000267	Pyroglutamic acid	30	NA||NA||NA	-0.0923||NA	3.2598||NA	0.9901	0.9892	Apr1116	21.29	1535.34	0
50	HMDB0000555	3-Methyladipic acid	3	NA||NA||NA	0.026557364||NA	1.854241656||NA	0.8133	0.8035	Apr1116	21.46	1547.32	0
51	HMDB0000930	(E)-Cinnamic acid	10	NA||NA||NA	-0.070199174||NA	2.321798192||NA	0.9116	0.9028	Apr1116	21.45	1552.6	0
52	HMDB0002432	Sumiki's acid	16	NA||NA||NA	0.016815059||NA	0.868941085||NA	0.8579	0.849	Apr1116	21.75	1561.67	0
53	HMDB0000959	tiglylglycine	10	NA||NA||NA	-0.0175||NA	5.0363||NA	0.9886	0.9867	Apr1116	22.22	1579.92	0
54	HMDB0000669	o-Hydroxyphenylacetic acid	1	NA||NA||NA	0.021214229||NA	9.406924766||NA	0.9975	0.9967	Apr1116_Old	22.13	1580.55	0
55	HMDB0000635	succinylacetone	10	NA||NA||NA	-5.03E-05||NA	0.003418746||NA	0.7746	0.7541	Apr1116	22.23	1582.41	0
56	HMDB0000208	Oxoglutaric acid	2	NA||NA||NA	-0.0162||NA	1.4694||NA	0.9961	0.9952	Apr1116_Old	22.38	1594.17	0
57	HMDB0000694	2-Hydroxyglutaric Acid	30	NA||NA||NA	0.1056||NA	2.3124||NA	0.9129	0.9062	Apr1116	22.43	1594.48	0
58	HMDB0000779	3-phenyllactic	10	NA||NA||NA	-0.090601657||NA	4.713014593||NA	0.8798	0.8722	Apr1116	22.56	1597.56	0
59	HMDB0000857	Pimelic acid	13	NA||NA||NA	-0.002720733||NA	1.940799372||NA	0.9118	0.9066	Apr1116	22.78	1614.12	0
60	HMDB0000355	3-hydroxy-3-methylglutaric	40	NA||NA||NA	-0.126730273||NA	0.331476145||NA	0.7784	0.7625	Apr1116	22.96	1620.1	0
61	HMDB0000440	m-Hydroxyphenylacetic acid	20	NA||NA||NA	0.028241797||NA	6.69123381||NA	0.9903	0.9879	Apr1116_Old	23	1620.44	0
62	HMDB0001123	2-amino-benzoic acid (2TMS)	10	NA||NA||NA	-0.089554135||NA	7.872534825||NA	0.9184	0.913	Apr1116	22.9	1627	0
63	HMDB0000500	p-Hydroxybenzoic acid	1	NA||NA||NA	0.182487131||NA	11.8561522||NA	0.9799	0.9749	Apr1116_Old	23.2	1636.41	0
64	HMDB0000020	p-Hydroxyphenylacetic acid	30	NA||NA||NA	-0.115306903||NA	2.661970148||NA	0.9301	0.9262	Apr1116	23.42	1651.5	0
65	HMDB0004812	2,5-furandicarboxylic	NA	NA||NA||NA	10||NA	-0.090626467||NA	0.9354	0.9289	Apr1116	23.68	0
66	HMDB0000439	2-Furoylglycine	1	NA||NA||NA	0.079313457||NA	0.488434387||NA	0.2375	0.1528	Apr1116	23.74	1665.75	0
67	HMDB0000956	tartaric	NA	NA||NA||NA	NA||NA	NA||NA	NA	NA	Apr1116	23.83	1667.77	0
68	HMDB0000812	N-acetylaspartic	NA	NA||NA||NA	NA||NA	NA||NA	NA	NA	Apr1116	23.938	1673.48	0
69	HMDB0000321	2-hydroxyadipic	20	NA||NA||NA	0.0255||NA	3.1958||NA	0.9799	0.9783	Apr1116	24.29	1691.11	0
70	HMDB0000893	Suberic acid	1	NA||NA||NA	-0.009925887||NA	3.904991472||NA	0.9983	0.9978	Apr1116_Old	24.51	1707.8	0
71	HMDB0000375	3-(3-Hydroxyphenyl)propanoic acid	20	NA||NA||NA	-0.06637087||NA	6.911680445||NA	0.9627	0.9605	Apr1116	25.17	1741.5	0
72	HMDB0000232	Quinolinic acid	38	NA||NA||NA	-0.043228877||NA	0.421098543||NA	0.9937	0.9931	Apr1116	25.15	1743.66	0
73	HMDB0000226	orotic	10	NA||NA||NA	NA||NA	NA||NA	NA	NA	Apr1116	25.63	1767.19	0
74	HMDB0000958	trans-Aconitic acid (3TMS)	1	NA||NA||NA	0.073282481||NA	2.396733647||NA	0.9847	0.9809	Apr1116_Old	25.58	1767.91	0
75	HMDb0000484	vanillic	10	NA||NA||NA	-0.037582706||NA	2.782277719||NA	0.9085	0.9037	Apr1116	25.83	1777.16	0
76	HMDB0000118	Homovanillic acid	2	NA||NA||NA	0.049080586||NA	9.128564672||NA	0.9974	0.9967	Apr1116_Old	25.88	1785.68	0
77	HMDB0000882	4-hydroxymandelic	10	NA||NA||NA	-0.074304648||NA	4.672376633||NA	0.9512	0.945	Apr1116	26.23	1799.66	0
78	HMDB0000784	Azelaic acid, bis-TMS	NA	NA||NA||NA	1||NA	-0.032871547||NA	0.9949	0.9937	Apr1116_Old	26.26	0
79	HMDB0001336	3,4-Dihydroxyphenylacetic acid	NA	NA||NA||NA	NA||NA	0.002743063||NA	0.9858	0.9787	Apr1116_Old	26.96	0
80	HMDB0000714	Hippuric acid	4	NA||NA||NA	1.006571889||NA	1.490010074||NA	0.2641	0.1905	Apr1116	26.95	1848.31	0
81	HMDB0000094	Citric Acid	40	NA||NA||NA	-0.115388624||NA	0.567919442||NA	0.968	0.9616	Apr1116	27.02	1848.69	0
82	HMDB0000193	isocitric	30	NA||NA||NA	NA||NA	NA||NA	NA	NA	Apr1116	27.06	1850.97	0
83	HMDB0000379	methylcitric	10	NA||NA||NA	-0.006424909||NA	0.272056819||NA	0.938	0.9277	Apr1116	27.32	1866.47	0
84	HMDB0002643	HPHPA	2	NA||NA||NA	0.001462425||NA	17.88124572||NA	0.9955	0.9944	Apr1116_Old	27.33	1870.6	0
85	HMDB0001713	m-Coumaric acid	1	NA||NA||NA	-0.003945618||NA	3.322320296||NA	0.9955	0.9944	Apr1116_Old	27.48	1879.22	0
86	HMDB0002285	2-Indolecarboxylic acid (2TMS)	10	NA||NA||NA	0.009416818||NA	0.248566587||NA	0.9458	0.9409	Apr1116	27.57	1890.3	0
87	HMDB0000821	Phenaceturic acid	30	NA||NA||NA	-0.214756304||NA	4.996876092||NA	0.9902	0.9892	Apr1116	27.87	1895.2	0
88	HMDB0000291	Vanillylmandelic acid	9	NA||NA||NA	-0.100044117||NA	8.187996937||NA	0.9847	0.9835	Apr1116	27.89	1903.22	0
89	HMDB0000792	Sebacic acid	10	NA||NA||NA	-0.053128393||NA	2.386290628||NA	0.9731	0.9713	Apr1116	27.81	1904	0
90	HMDB0000755	Hydroxyphenyllactic acid	2	NA||NA||NA	-0.00150379||NA	32.7925659||NA	0.9842	0.979	Apr1116_Old	28.16	1920.06	0
91	HMDB0001889	theophylline	10	NA||NA||NA	-0.019967821||NA	0.729737966||NA	0.9713	0.9684	Apr1116	28.27	1923.66	0
92	HMDB0000423	3,4-Dihydroxyhydrocinnamic acid	NA	NA||NA||NA	NA||NA	NA||NA	NA	NA	Apr1116	28.29	0
93	HMDB0000197	1H-Indole-3-acetic acid	2	NA||NA||NA	-0.009511819||NA	3.513323929||NA	0.9934	0.9901	Apr1116_Old	29.06	1975.83	0
94	HMDB0000860	phenylpropionylglycine	8	NA||NA||NA	-0.01758452||NA	0.179939308||NA	0.9146	0.9024	Apr1116	29.705	2014.31	0
95	HMDB0003320	indole-3-carboxylic	30	NA||NA||NA	-0.005464048||NA	1.90968613||NA	0.982	0.9809	Apr1116	30.12	2043.06	0
96	HMDB0000913	3(4-OH-3-MO-phenyl)lactic	10	NA||NA||NA	-0.025320853||NA	4.841550105||NA	0.7793	0.7623	Apr1116	30.166	2046.14	0
97	HMDB0000220	Hexadecanoic acid (Palmitic acid)	NA	NA||NA||NA	0.059085685||NA	1.035464488||NA	0.9688	0.9653	Apr1116_Old	30.16	2050.4	0
98	HMDB0000715	Kynurenic acid	1	NA||NA||NA	-0.029794226||NA	1.981689251||NA	0.7051	0.5577	Apr1116_Old	30.68	2084.15	0
99	HMDB0000623	dodecanedioic	20	NA||NA||NA	-0.070474832||NA	2.466821506||NA	0.9957	0.9955	Apr1116	31.03	2103.68	0
100	HMDB0000954	trans-Ferulic acid	2	NA||NA||NA	-0.031146973||NA	9.780318842||NA	0.9965	0.9957	Apr1116_Old	31.01	2107.95	0
101	HMDB0000866	N-acetyltyrosine	40	NA||NA||NA	-1.376878179||NA	4.000710529||NA	0.2591	0.2155	Apr1116	31.82	2157.2	0
102	HMDB0006116	m-Hydroxyhippuric acid	NA	NA||NA||NA	0.004544657||NA	2.074396955||NA	0.8134	0.8017	Apr1116	31.85	2159.29	0
103	HMDB0000671	Indolelactic acid	NA	NA||NA||NA	-0.022977118||NA	1.799043097||NA	0.9457	0.9186	Apr1116_Old	32.43	2199.99	0
104	HMDB0000763	5-Hydroxyindoleacetic acid	4	NA||NA||NA	-0.020741964||NA	0.534839363||NA	0.9094	0.8964	Apr1116	32.43	2223.53	0
105	HMDB0013678	4-hydroxyhippuric Acid	20	NA||NA||NA	-0.203881432||NA	4.26243233||NA	0.9865	0.9853	Apr1116	32.88	2242.91	0
106	HMDB0000827	Octadecanoic acid (Stearic acid)	NA	NA||NA||NA	-0.180672366||NA	2.988106727||NA	0.9913	0.9895	Apr1116_Old	33	2249.6	0
107	HMDB0000067	Cholesterol (ISTD)	NA	NA||NA||NA	NA||NA	NA||NA	NA	NA	ISTD			0