metabolite_name	PP_A_09_1	p180 QC1	PP_A_09_5	p180 Cal1	PP_A_09_3	p180 Cal7	p180 QC2	PP_A_09_4	PP_A_09_6	PBS_01	p180 Cal4	PP_A_09_2	p180 Cal5	PBS_02	p180 Cal2	PBS_03	p180 QC3	p180 Cal3	p180 Cal6
Ala	375	254	355	17.2	380	1550	616	372	390	\N	371	385	763	\N	41.6	\N	1140	236	1280
Arg	83	76.8	101	2.68	99	358	180	85.5	95	\N	121	86.5	189	\N	9.41	\N	290	71.6	314
Asn	18.1	22.9	16.7	2.24	16.3	362	142	14.7	15.5	\N	102	14.9	214	\N	11.2	\N	277	71.7	302
Asp	12.4	11.2	9.75	3.94	12.5	394	130	11	12.7	\N	102	11.7	183	\N	9.64	\N	289	65.1	307
Cit	14.5	10.6	51.5	6.39	52	533	224	53.5	25.1	\N	109	23.9	111	\N	3.08	\N	357	85.7	216
Gln	300	418	348	18	347	1600	656	321	339	\N	394	315	735	\N	37	\N	938	249	1230
Glu	190	116	169	6.77	190	709	349	156	198	\N	195	195	446	\N	19.9	\N	578	132	622
Gly	222	263	254	20.4	274	1930	844	197	264	\N	493	233	885	\N	43.4	\N	1270	353	1600
His	64.5	65.5	74	3.4	78	358	172	64	73	\N	111	75	185	\N	8.96	\N	259	69.8	329
Ile	64	45.5	69	3.41	72	375	161	62.5	66.5	\N	104	66.5	187	\N	9.72	\N	258	69	318
Leu	126	90.9	136	4.01	138	380	193	124	131	\N	102	133	193	\N	8.74	\N	294	67.8	309
Lys	167	184	184	5.53	191	679	360	180	180	\N	228	171	356	\N	16.5	\N	487	161	685
Met	27.3	17	28.3	3.05	32	352	135	24	26.3	\N	117	31	222	\N	7.85	\N	250	74	289
Orn	64	55.8	72	3.05	79	333	169	73.5	72.5	\N	114	64	178	\N	8.67	\N	251	74.1	354
Phe	52.5	45.7	60.5	2.79	61.5	379	160	57	58	\N	119	55.5	189	\N	9.38	\N	253	72.3	293
Pro	185	206	200	4.48	212	770	375	185	209	\N	230	199	395	\N	20.6	\N	498	148	561
Ser	87	81.2	98.5	4.57	102	377	149	96	95	\N	96.7	96.5	191	0.33	8.26	0.8	234	66.2	321
Thr	128	113	128	4.78	138	405	181	131	125	\N	89.4	133	194	\N	9.2	\N	283	62.3	300
Trp	45.8	41.5	47	2.55	48.2	364	151	43	52	\N	115	48.6	199	\N	8.78	\N	268	78.1	298
Tyr	61.5	53.9	63	3.21	70	367	164	55	60	\N	103	64	194	\N	9.02	\N	255	74.8	314
Val	186	157	202	7.67	209	786	358	184	200	\N	194	199	376	\N	19.2	\N	484	136	612
Ac-Orn	0.65	2.05	0.695	0.611	0.77	41.1	10.6	0.66	0.82	0.11	7.99	0.635	14.9	0.15	0.903	0.12	21.9	5.62	35.5
ADMA	0.301	0.193	0.27	0.159	0.243	19.9	6.52	0.274	0.349	\N	4.83	0.359	9.69	\N	0.515	\N	12.9	3.58	14.6
alpha-AAA	0.525	1.97	0.68	1	0.575	83.2	21.1	0.675	0.555	\N	18.3	0.57	30.3	\N	1.78	\N	41.3	13.1	65.4
c4-OH-Pro	0.216	4.73	0.04	0.911	0.191	85.9	24.5	0.04	0.08	0.01	18.9	\N	37.6	0.03	1.88	0.03	52.1	12.7	55.1
Carnosine	\N	0.549	\N	0.343	\N	37.7	11.5	\N	\N	\N	11.2	\N	18.3	\N	0.873	\N	22.7	7.17	30.9
Creatinine	64	65.2	63.5	7.54	64.5	755	311	62.5	64	\N	205	64	400	\N	19.9	\N	600	125	617
DOPA	\N	1.63	\N	0.301	\N	38.5	10.5	\N	\N	\N	10.8	\N	18.5	\N	1.06	\N	30.4	6.76	30.6
Dopamine	\N	2.38	\N	0.673	\N	76.6	17.7	\N	\N	\N	20.8	\N	41.4	\N	2.03	\N	49.8	13	58.4
Histamine	\N	2.18	\N	0.577	\N	74.7	22.6	\N	\N	\N	21.8	\N	38.8	\N	1.93	\N	38.7	14.5	60.7
Kynurenine	1.2	1.75	1.23	0.681	1.42	78	30.5	1.18	1.19	\N	20.3	1.18	38.7	\N	1.96	\N	56.7	13.9	59.4
Met-SO	0.43	0.196	0.45	0.544	0.74	79.7	15.2	0.353	0.29	\N	20.1	0.59	35.7	\N	2.08	\N	28.9	15.3	59.6
Nitro-Tyr	\N	1.96	\N	0.755	\N	78.7	27.6	\N	\N	\N	18.7	\N	37.4	\N	1.96	\N	46.1	13.8	61.6
PEA	\N	0.197	\N	0.107	\N	8.86	2.46	\N	\N	\N	1.54	\N	3.64	\N	0.241	\N	5.79	0.948	5.97
Putrescine	\N	0.127	\N	0.071	\N	7.32	2.41	\N	\N	\N	2.17	\N	4.03	\N	0.202	\N	6	1.22	6.28
SDMA	0.61	1.02	0.484	1.01	0.458	78	3.35	0.565	0.442	\N	16.4	0.62	40.6	\N	1.85	\N	6.63	12	63.1
Serotonin	\N	0.18	\N	0.08	\N	8.27	2.39	\N	\N	\N	1.9	\N	3.47	\N	0.201	\N	5.79	1.34	6.04
Spermidine	0.06	0.651	0.06	0.162	\N	18.5	6.05	0.06	0.06	0.02	5.1	0.07	9.86	\N	0.525	0.02	14	3.29	15.8
Spermine	0.03	0.629	0.03	0.179	0.03	18.5	6.35	0.03	0.03	0.04	5.49	0.03	9.45	0.03	0.468	0.08	14.7	3.3	15.8
t4-OH-Pro	11.9	12.1	15.9	0.794	15.1	88.1	30.4	13.8	14.1	0.09	20.9	12.2	35.6	0.09	2.22	0.09	50.7	11.7	53.8
Taurine	39.7	37.5	41.3	1.45	40.3	178	87	37.9	39	\N	55.3	39.2	96.3	\N	5.03	\N	145	34.4	162
total DMA	0.615	0.9	0.53	1.06	0.525	102	6.62	0.525	0.6	\N	22.1	0.61	44.5	\N	2.43	\N	12.3	16.9	77.2
(Leu+Glu)/Gln	1.05	0.495	0.874	0.599	0.947	0.681	0.826	0.872	0.972	NA	0.754	1.04	0.869	NA	0.774	NA	0.93	0.802	0.757
AAA	160	141	170	8.55	180	1110	475	155	170	\N	337	168	582	\N	27.2	\N	776	225	905
ADMA / Arg	0.004	0.003	0.003	0.059	0.002	0.056	0.036	0.003	0.004	NA	0.04	0.004	0.051	NA	0.055	NA	0.044	0.05	0.046
Arg/(Arg+Orn)	0.565	0.579	0.583	0.468	0.556	0.518	0.516	0.538	0.567	NA	0.515	0.575	0.515	NA	0.52	NA	0.536	0.491	0.47
BCAA	376	293	406	15.1	419	1541	712	370	398	\N	400	398	756	\N	37.7	\N	1036	273	1239
Cit / Arg	0.175	0.138	0.512	2.38	0.525	1.49	1.24	0.626	0.264	NA	0.901	0.276	0.587	NA	0.327	NA	1.23	1.2	0.688
Cit / Orn	0.227	0.19	0.715	2.1	0.658	1.6	1.33	0.728	0.346	NA	0.956	0.373	0.624	NA	0.355	NA	1.42	1.16	0.61
DOPA/Tyr	\N	0.03	\N	0.094	\N	0.105	0.064	\N	\N	NA	0.105	\N	0.095	NA	0.118	NA	0.119	0.09	0.097
Essential AA	796	695	853	33.8	889	3720	1699	805	838	\N	1068	837	1916	\N	89.4	\N	2577	721	3104
Fisher ratio	2.35	2.08	2.38	1.76	2.33	1.39	1.5	2.39	2.34	NA	1.19	2.37	1.3	NA	1.39	NA	1.34	1.21	1.37
Glu/Gln	0.633	0.278	0.484	0.376	0.548	0.443	0.532	0.486	0.585	NA	0.495	0.617	0.607	NA	0.538	NA	0.616	0.53	0.506
Glucogenic AA	684	598	708	42.2	756	3857	1609	665	749	\N	961	715	1839	0.33	93.3	0.8	2644	655	3201
GlucogenicRTI	1684	1623	1780	91	1872	9188	3934	1645	1843	\N	2416	1766	4599	0.33	228	0.8	6248	1603	7438
Glutaminolysis	1.92	0.912	1.53	1.55	1.68	1.66	1.67	1.68	1.77	NA	1.7	1.88	1.89	NA	1.92	NA	2.14	1.74	1.8
Gly / Arg	2.67	3.42	2.53	7.61	2.77	5.39	4.69	2.3	2.78	NA	4.07	2.69	4.68	NA	4.61	NA	4.38	4.93	5.1
Gly / Gln	0.741	0.629	0.73	1.13	0.791	1.21	1.29	0.614	0.78	NA	1.25	0.74	1.2	NA	1.17	NA	1.35	1.42	1.3
Gly / His	3.44	4.02	3.43	6	3.51	5.39	4.91	3.08	3.62	NA	4.44	3.11	4.78	NA	4.84	NA	4.9	5.06	4.86
Gly / Ser	2.55	3.24	2.58	4.46	2.69	5.12	5.66	2.05	2.78	NA	5.1	2.41	4.63	\N	5.25	\N	5.43	5.33	4.98
Gylcolysis	684	598	708	42.2	756	3857	1609	665	749	\N	961	715	1839	0.33	93.3	0.8	2644	655	3201
Kynurenine / Trp	0.026	0.042	0.026	0.267	0.029	0.214	0.202	0.027	0.023	NA	0.177	0.024	0.194	NA	0.223	NA	0.212	0.178	0.199
Met-SO / Met	0.016	0.012	0.016	0.178	0.023	0.226	0.113	0.015	0.01	NA	0.172	0.019	0.161	NA	0.265	NA	0.116	0.207	0.206
Non essential AA	1675	1635	1811	96.3	1911	9641	4170	1684	1848	\N	2542	1763	4669	0.33	231	0.8	6636	1697	7750
Orn / Arg	0.771	0.727	0.716	1.14	0.798	0.93	0.939	0.86	0.763	NA	0.942	0.74	0.942	NA	0.921	NA	0.866	1.03	1.13
Orn / Ser	0.736	0.687	0.731	0.667	0.775	0.883	1.13	0.766	0.763	NA	1.18	0.663	0.932	\N	1.05	\N	1.07	1.12	1.1
Putrescine / Orn	\N	0.002	\N	0.023	\N	0.022	0.014	\N	\N	NA	0.019	\N	0.023	NA	0.023	NA	0.024	0.016	0.018
SDMA / Arg	0.007	0.013	0.005	0.377	0.005	0.218	0.019	0.007	0.005	NA	0.136	0.007	0.215	NA	0.197	NA	0.023	0.168	0.201
Serotonin / Trp	\N	0.004	\N	0.031	\N	0.023	0.016	\N	\N	NA	0.017	\N	0.017	NA	0.023	NA	0.022	0.017	0.02
Spermidine / Putrescine	\N	5.13	\N	2.28	\N	2.53	2.51	\N	\N	\N	2.35	\N	2.45	NA	2.6	\N	2.33	2.7	2.52
Spermine / Spermidine	0.5	0.966	0.45	1.1	0.49	1	1.05	0.52	0.5	2.28	1.08	0.47	0.958	\N	0.891	3.25	1.05	1	1
Thr / Ser	1.47	1.39	1.29	1.05	1.35	1.07	1.21	1.36	1.32	NA	0.925	1.38	1.02	\N	1.11	\N	1.21	0.941	0.935
Total AA	2471	2330	2664	130	2799	13361	5869	2489	2686	\N	3610	2599	6585	0.33	320	0.8	9213	2418	10854
Total DMA / Arg	0.011	0.016	0.007	0.436	0.007	0.273	0.055	0.01	0.008	NA	0.175	0.011	0.266	NA	0.251	NA	0.067	0.218	0.247
Tyr / Phe	1.17	1.18	1.04	1.15	1.14	0.968	1.03	0.965	1.03	NA	0.866	1.15	1.03	NA	0.962	NA	1.01	1.03	1.07

metabolite_name
Ala
Arg
Asn
Asp
Cit
Gln
Glu
Gly
His
Ile
Leu
Lys
Met
Orn
Phe
Pro
Ser
Thr
Trp
Tyr
Val
Ac-Orn
ADMA
alpha-AAA
c4-OH-Pro
Carnosine
Creatinine
DOPA
Dopamine
Histamine
Kynurenine
Met-SO
Nitro-Tyr
PEA
Putrescine
SDMA
Serotonin
Spermidine
Spermine
t4-OH-Pro
Taurine
total DMA
(Leu+Glu)/Gln
AAA
ADMA / Arg
Arg/(Arg+Orn)
BCAA
Cit / Arg
Cit / Orn
DOPA/Tyr
Essential AA
Fisher ratio
Glu/Gln
Glucogenic AA
GlucogenicRTI
Glutaminolysis
Gly / Arg
Gly / Gln
Gly / His
Gly / Ser
Gylcolysis
Kynurenine / Trp
Met-SO / Met
Non essential AA
Orn / Arg
Orn / Ser
Putrescine / Orn
SDMA / Arg
Serotonin / Trp
Spermidine / Putrescine
Spermine / Spermidine
Thr / Ser
Total AA
Total DMA / Arg
Tyr / Phe