metabolite_name	78_15	89_39	29_8	53_51	37_4	67_56	39_61	83_1	20_14	12_40	9_52	47_54	30_70	75_75	15_9	79_11	42_49	95_64	38_68	34_69	27_28	2_3	94_7	24_10	90_45	70_13	44_59	54_66	7_72	28_47	4_19	77_5	50_20	84_32	64_43	43_48	14_22	25_55	40_74	17_57	32_58	23_60	73_67	93_73
Glycine	0.6641831	0.5823931	1.2106617	0.9025589	1.5920184	1.0904165	1.1692121	1.6381223	0.6308562	0.8260433	1.7375804	0.7042194	0.6814035	0.6332008	0.7727448	0.5794820	1.1678283	1.6124281	1.1343096	0.7655554	0.9525287	0.8253839	1.2861586	0.5581865	0.6274818	0.4628444	1.1154824	0.9035295	0.8830181	1.0904958	0.9473865	2.1236158	0.9221450	0.8175267	0.8128674	0.6357194	0.7937877	1.0216081	0.9692261	0.9331046	0.6881318	0.7323945	0.5345380	1.1282173
Alanine	1.7360074	1.5325778	1.3558606	0.6778450	1.4987369	1.4323758	0.8821346	1.2836593	1.2464781	1.3750416	0.9842472	0.8999998	1.1242248	0.8429006	0.5860075	0.9042016	0.4564879	1.4082533	0.7840911	0.9047781	0.7766194	0.9096230	0.9396520	1.0166192	1.3274073	1.2718492	1.1990160	1.4981781	0.9596641	0.4615636	1.4065416	1.6312005	0.8684013	1.1782572	0.3032742	0.5391739	0.6177580	0.6628346	0.6946242	0.7528290	0.9677075	1.0259390	0.4017568	0.5456400
Serine	0.9829767	1.0444886	1.7308137	1.0926756	1.4756829	1.4746297	2.5033116	1.5758280	1.3385214	0.8848087	1.6991237	0.7968586	0.9192123	0.7355677	0.7708518	0.5162596	0.9812571	1.4750102	1.3296300	0.8938499	0.6552542	0.7598502	1.4725655	1.2106947	1.0990299	0.9556347	1.7990258	1.3710048	0.9542026	0.8436883	1.1885704	0.9184323	0.5632652	1.1449915	0.5209699	0.6202222	0.6817494	0.7831688	0.9006959	0.7908329	1.4333824	1.2041231	0.5773901	1.0574945
Proline	0.7597914	0.8491804	1.6462950	0.6463434	1.2660828	1.0368600	1.5488434	1.9455101	0.2975706	0.7245077	2.0106284	0.3755476	0.5053424	0.4443746	0.6915176	1.0376806	1.0670454	2.2580843	0.4498044	0.8171973	1.1038683	0.8918080	1.6111794	0.8486903	0.7378483	0.8840724	1.5197147	1.1926380	0.8397884	1.1216207	1.1155445	2.7311858	1.0329448	0.9254012	0.8811172	1.5605294	0.5184425	1.2733069	1.1600215	1.2800334	1.0039367	0.6423728	0.4748521	0.6740115
Valine	2.1123335	1.7316887	0.6393724	0.5542947	0.7366801	1.2005641	0.3952106	0.4788397	0.7964143	0.5883920	0.3540782	0.8398212	0.4394334	0.9349184	1.0544933	1.9007148	0.6241232	1.7163274	0.8223594	2.0754078	1.3716302	0.9910592	1.3018425	1.6951284	1.3834101	2.0828436	1.9756209	1.9672531	1.4232912	1.0796074	1.6765127	1.9605937	1.0303671	1.6503612	0.9260828	0.7669943	1.0938641	1.0445790	1.5308892	0.9143743	1.4912305	1.3014527	0.6856599	0.9976423
Threonine	1.4949002	1.7555501	0.6590926	2.0716696	1.4338568	1.3959911	1.1881970	0.9798629	1.3904009	1.6021249	0.8731791	1.2200641	0.9156117	0.5758664	0.8803781	1.2022605	0.7276234	1.8626756	0.6528311	1.2333679	1.0436309	1.0576120	1.0775138	1.3481587	1.0210251	1.5961182	1.3193239	1.2711617	0.7961868	0.6404125	1.2366547	4.0161861	0.8727233	1.2301760	0.3628089	0.5585195	0.7979847	0.5941755	0.6607964	0.8690401	1.0391445	1.2550014	0.4274285	0.6613131
Cysteine	1.4171689	1.4734435	0.4551778	1.0497922	1.2607651	1.7873594	0.5158760	1.4091313	0.6174308	0.6375454	0.3195509	0.9146241	0.3606892	0.4385774	2.2195738	0.8041446	0.8081371	1.6233584	0.7402441	0.5400555	1.1880371	1.0166110	1.4403393	1.1333957	1.4225637	1.1575495	1.8072541	2.3504256	0.8123084	1.4974797	1.1474504	5.1495362	1.1869762	1.4543885	1.1801322	0.6565658	0.8575633	1.1657767	1.1814828	0.5451285	1.0520187	1.3806928	0.7102909	1.2315303
Isoleucine	1.9347372	1.8855000	0.2591790	0.2813910	0.2825000	0.9665433	0.1832941	0.2133866	0.2245106	0.2880937	0.1094119	0.3209901	0.1222943	0.3152498	0.5426614	0.7960547	0.2885958	27.5568587	0.3221111	0.6349825	0.6836622	0.5193573	0.9563821	0.9102703	1.1119867	1.2389915	1.0675647	1.2870446	0.9094947	0.4542326	0.9166369	1.8187265	0.4452643	0.9842242	0.4575916	0.3047193	0.4538740	0.5436721	14.3537449	0.4807911	0.9398374	0.6420502	0.2819753	0.3427764
Leucine	3.4956055	3.8313687	0.6042936	0.5315849	0.7971574	2.3686344	0.4801190	0.5805934	0.6388995	0.6258188	0.3916192	0.8041608	0.4167535	1.0806130	0.9512575	1.2971912	0.6327917	7.0530587	0.7137978	1.6132367	1.1755929	1.0071634	1.6158235	1.4044528	1.8465434	2.7358655	2.0502208	2.1734096	1.3793860	0.9310218	1.7042178	2.8023550	0.8533214	1.8008842	0.9644339	0.6029584	0.8491023	1.0639249	3.4995823	0.9118971	1.2643158	1.2309110	0.6146511	0.8166373
Aspartate	0.8033782	1.5090718	0.5828385	1.1247875	0.3782220	1.2458220	0.5563496	0.5606232	0.9637705	1.2966208	3.5855534	1.2097068	3.1143890	0.3790958	0.2218817	0.8057461	0.6348506	0.5702223	1.0014629	0.7053994	1.1385907	1.2427008	1.2603703	0.6349976	4.0363960	1.2379109	0.7896001	1.2242562	0.9211091	0.7394680	1.3544014	1.0933233	0.5324741	1.5703126	1.5416392	1.3352815	0.6363646	0.7410479	1.1064516	0.5355146	2.1602296	2.9571548	0.5572942	1.0069699
Lysine	1.4092918	1.3228760	1.0158993	0.9562599	1.0543933	1.0430020	1.0040040	0.9302338	1.0775189	0.9437058	1.2913764	0.9849015	0.8965048	0.6280120	0.9589777	1.2414561	0.5831105	1.1212727	1.0238445	1.1579785	0.6578803	1.3179493	0.9279302	1.3164130	1.0943306	1.2765861	1.2915303	1.0675323	0.8094176	0.7334466	1.2189110	0.9667638	1.1985140	1.1538612	0.5772056	0.8326301	0.7349252	1.0306172	0.6600314	0.7631275	1.1219521	1.2713234	0.9338523	0.8076913
Glutamine	1.6805383	1.4099875	1.0988830	0.9588197	1.1173820	1.1242971	1.0285378	0.9553475	1.1881901	0.8857632	1.3533260	1.0250534	0.9363447	0.5949191	0.9370086	1.3543589	0.5048161	1.2102907	1.0230470	1.1610692	0.6162269	1.4179987	0.9467839	1.5037126	1.0690592	1.3772250	1.3962226	1.0654388	0.7463732	0.6974623	1.1997552	0.9845143	1.2401106	1.1187006	0.5142284	0.8424090	0.6924122	1.0571650	0.5847169	0.7019804	1.2655844	1.3675553	0.9420521	0.7772477
Glutamate	0.9181046	1.3132615	1.0344404	1.0353846	0.6127128	1.1598309	0.7641479	1.1635371	1.1630950	0.8441427	0.8880450	0.9804132	0.9247058	0.3565945	1.2494421	1.2433774	0.6875534	0.5483524	0.8009520	1.2111349	0.9736383	1.1711957	1.0969361	1.2429818	1.1466585	1.2780877	1.0356874	0.9408710	1.1120061	0.9453898	1.0132074	0.7746941	0.8503789	1.2401151	0.7630199	0.9692949	0.9255649	1.0497658	0.9798368	0.7130226	1.1734304	1.3267662	0.9461439	1.0619211
Methionine	2.4274027	3.2262762	1.8216958	1.0292181	1.4057665	3.4103954	1.4545528	2.1781127	1.3653880	1.2825804	1.9221941	0.9534446	1.3992457	0.2346128	1.1631207	0.8055846	0.5629987	1.3292509	0.5940519	0.8420281	0.7848304	0.9520726	1.1443803	1.3375409	0.9379682	1.4055277	1.8044084	1.7407838	1.0326871	0.7480933	1.3019836	4.4867341	0.7319547	1.4353739	0.3945977	0.5308765	0.6088743	0.7465309	0.6087634	0.3255302	1.1619543	1.2150048	0.4225705	0.6734138
Histidine	2.00349232	4.26855210	0.30021894	3.26275605	0.31555290	3.07521864	0.14474611	2.78639003	0.32433578	0.16350445	0.35595205	0.21178070	0.24004133	0.07581208	4.80385827	0.28075395	0.15791340	0.46864053	0.11354130	0.29345055	0.15353908	0.35921987	0.19794550	0.29950550	0.29787696	0.42162902	0.34856668	0.49194585	0.19394077	0.14921215	0.33002045	0.69331447	0.27117294	0.46984354	0.10776894	0.10100857	0.11739731	0.15023463	0.12620485	0.12907904	0.20100898	0.23076200	0.14283097	0.23924642
Phenylalanine	2.8592468	2.6741452	1.0113700	1.0059851	1.7872389	2.2723069	0.8832541	0.8975679	0.7555148	1.1815103	0.7231945	0.8638330	0.8667989	0.7095214	1.3457441	1.3110177	0.7367359	1.6604851	0.7028064	1.1144490	0.7652091	1.2150164	1.2018372	1.3658810	1.4673872	1.6644428	1.8549432	1.7710441	1.0344729	0.9820531	1.6160664	3.9975170	0.9848059	1.6269524	0.8408050	0.6391262	0.7254753	0.9699014	1.0028650	0.5808922	1.3758556	1.3965092	0.7640282	1.0757188
Arginine	2.1771066	2.3541640	1.0107385	0.6280254	0.7607025	2.3064388	0.5762104	0.7112269	1.0056556	0.7864484	0.5867483	0.7537934	0.4402240	0.3395746	0.5045858	1.2541152	0.9242302	2.0598466	0.7848201	1.3245193	1.0217420	1.7842514	1.2785591	2.2857892	1.6390691	1.7086429	2.6339969	1.1263117	0.7633929	0.9141958	1.1653795	1.9136759	1.1571792	1.7405064	0.7722905	0.8351888	0.4393420	1.0424548	0.6658226	0.6797267	1.3967683	1.1984865	0.8242906	0.8538427
Tyrosine	1.8767849	2.3149890	1.3371849	1.2490063	0.9623557	2.2779968	0.6327520	0.7348442	1.0033640	0.9987558	0.5624510	0.8721644	0.7519129	0.4208712	0.6032451	0.7661740	0.3854480	1.4451885	0.4577029	1.0646247	1.0944164	1.7037114	0.9849544	0.9207582	2.2676539	1.5885820	1.8692405	2.0966150	1.1505593	0.7900017	1.1799254	4.7680119	0.8479332	2.2397636	0.6054073	0.6704085	0.9228257	0.8337233	0.7946252	0.5263755	2.0382417	2.4619367	0.9328301	1.1057243
Tryptophan	2.7390155	2.2172860	0.2589922	0.8241359	1.2329643	2.1068430	0.6374050	0.5973593	0.6201375	0.9505355	0.3652405	0.7814561	0.5565908	0.3466688	0.5740657	1.0181548	0.8536514	2.4800452	0.5773341	1.3221801	1.4051344	1.7603385	1.4660728	1.4228207	3.0739643	1.7502366	1.7739753	2.6089578	1.3229756	1.2132391	1.6871866	3.8081251	0.9233358	2.0072645	0.9699436	0.7547096	0.9873812	1.0411868	0.9469209	0.5950497	1.8735895	2.3178133	1.1090740	1.4992308
Asparagine	1.3600734	0.9974689	1.0018425	1.2973844	1.2057484	1.3710590	1.4847662	0.9393784	1.0481681	1.1392147	1.4044905	0.9880457	1.1398218	0.5860228	1.3338275	0.7069942	0.8285186	1.1196549	0.8381745	0.9239346	0.6771712	0.8678771	0.6328249	0.7487035	0.9607105	0.7726103	0.8923978	1.0154897	0.9090062	0.7709291	1.0047895	2.7216510	0.8931270	1.1185503	0.5478794	0.7691038	0.6273676	0.6064479	0.6147272	0.4873293	0.7731814	0.9449334	1.1459439	0.6789635
1-methylhistamine	0.9346502	0.9967288	0.9921519	0.9364427	1.1106138	0.9063923	1.1095145	0.9550027	0.9515052	1.0506567	1.0723493	0.9915018	0.9585443	0.9909336	0.9848367	1.0198961	1.0424794	0.9860424	1.0429893	1.1605707	1.0323596	1.0431629	0.9314134	0.9157320	0.9293903	0.9899603	1.0134152	0.9512892	0.9317510	1.1057784	0.9164294	0.9548708	0.9645720	1.0884500	0.7419476	0.9487281	1.1115482	1.0372381	1.1594775	1.0138937	0.9680899	0.9893087	0.9387445	0.9970259
2-deoxyadenosine	0.3821040	0.8502876	1.7523501	1.1650321	0.9025543	0.9900612	1.7075599	1.0723618	1.9751351	1.7899941	2.3137724	0.3419911	2.6183371	0.9439502	0.7678661	0.7464343	3.5983936	2.6565243	2.5883777	2.8060992	3.7228998	0.8001041	1.4497690	1.9580312	0.3923030	1.9929109	0.7046670	0.7131799	0.7965495	1.6882662	0.5714989	1.1946356	0.6147026	0.3587244	1.1864112	1.1101039	1.6543033	2.2538689	3.2053034	3.9489412	4.1425288	1.9277443	1.9731078	2.0998540
2-deoxycytidine	0.2819526	0.4056462	0.9068110	0.1744320	0.3522175	2.6781567	0.1528695	0.2542014	0.2439179	0.7372509	0.6111934	0.3986117	0.3689826	0.5726787	0.1436466	1.7171058	0.4629858	0.7103616	1.0139987	3.1501200	0.9648672	2.0451802	2.7344769	2.5173824	3.2463994	4.5411241	2.3693756	2.8609153	1.3002792	0.9144012	1.6452426	1.4461508	0.8436100	3.6375409	0.7199083	0.3748761	0.9869717	1.3724203	1.1960924	0.8185002	2.6894570	1.8352219	1.0999474	0.6452390
5-HIAA	2.6552442	1.7384712	1.0774607	0.9232313	1.2942734	1.1465108	0.7489923	2.3243611	0.9473909	1.1562474	1.3065037	0.9708078	0.9728185	0.7626160	0.7070638	1.6847751	0.9370668	1.1034057	0.8245034	1.0459639	0.7615832	1.1176911	1.2848924	1.2094897	1.1022661	1.1373800	1.5219629	1.2543888	1.1386900	0.9814072	1.3506748	2.3423826	0.8232277	1.2508589	0.7592088	0.4059634	1.1569493	1.0778866	0.8813126	0.7032209	1.3042157	1.0777941	0.7529162	1.0502290
Adenosine	0.5573448	0.8623071	0.3503429	0.1869082	0.4474434	1.3122786	0.2735426	0.1120161	1.5366914	0.3095777	1.1546472	0.4544539	0.2823131	0.2678816	0.1268862	1.6474428	1.1754551	1.1187720	1.0037356	1.6166569	0.9241333	1.2080019	1.3281923	1.4333566	2.4087212	1.8478474	2.1258214	2.2237878	0.6594626	0.4606415	1.6418540	2.7929183	0.7976237	1.4246146	0.4498227	0.3711215	0.7835421	1.2056928	0.9420833	0.8171196	1.9161854	2.0142018	0.6104145	0.8689744
ADMA	2.0368073	1.7241608	1.4180038	0.9936597	2.1098259	0.9637883	0.6351408	0.7006465	0.8780100	0.6446514	0.9459697	0.6636255	1.0404478	0.3856898	0.5572919	1.0082239	0.4989564	1.4166095	0.7492001	0.8441890	0.5038318	1.6195957	1.5435043	1.5758776	2.1622039	1.5040961	1.3175221	2.1632902	0.8060718	0.7029388	2.0750518	6.8665840	0.8726612	1.6267013	0.6446869	0.6876588	0.6466244	1.2143662	0.6875743	0.5178370	1.6490535	1.5506974	0.6502616	1.1829426
α-keto-δ-NG-NG-dimethylguanidino-valeric-acid	1.8926070	0.2732481	1.0381591	0.3631300	1.3405070	0.4265868	0.4555169	0.9612715	0.2209333	0.8849007	0.3227679	0.4260229	0.5757471	0.2310228	0.2117163	0.5706773	0.3615976	0.8778519	0.2781131	0.3112960	1.9299959	0.4326131	0.6598400	0.5295512	5.4142325	0.8380336	2.0661396	0.9423237	0.4525717	1.7516220	1.5874644	16.4413392	0.6578423	0.4834374	2.2158844	0.7979534	0.8153247	1.1555075	0.6906672	1.7459930	0.8491515	2.2241345	0.7017909	2.4496618
Anserine	0.1463310	1.1239587	2.1533190	0.2315036	1.8920328	2.0193009	1.1488232	1.1949230	0.6236253	0.2827357	1.0176398	0.4735418	1.1127572	0.1461208	0.1613543	1.0644910	0.7054297	2.1729123	0.4033921	1.4638204	1.0321012	0.6717723	1.0339792	3.2975269	2.9770212	1.8323674	1.3916931	9.4893637	0.6544430	0.6909948	0.7759631	0.7757884	1.6583554	1.3666503	0.4879998	0.4347321	1.0852287	0.8156296	0.7051102	0.6122230	0.9698273	0.6831106	1.2606797	1.8324202
beta-Alanine	1.6191625	1.3495245	0.7033488	0.6190257	1.3491933	0.8341115	0.9105928	0.9973747	0.8406507	1.1099997	0.9991085	0.8866294	0.8221146	1.1067263	0.8880769	1.1772324	1.3198970	1.1065244	1.3621807	1.1258640	0.5496322	0.8572417	0.7355307	1.2061055	1.5702158	0.6962315	1.0126345	1.0115209	0.7584494	0.8182337	1.2607002	1.1163092	1.0208017	1.0293849	0.7997558	0.9130306	0.7666728	0.4645137	0.9776406	0.9456743	1.3850883	0.8113771	0.7901940	0.5721587
Betaine	0.5740856	0.7050325	1.0330660	1.0741655	0.9945073	0.9945341	1.0985354	0.9681979	0.9395612	1.1659251	0.9913505	0.8989329	1.1131153	0.9439325	1.2254046	0.8899482	1.1041381	1.0330258	1.0020479	1.1319960	1.1498461	0.9367073	0.9129058	0.7335663	0.8283174	0.9613318	0.7476393	0.8483343	0.9990657	1.1495208	0.7216638	0.7520869	0.9963586	0.8874571	1.1080579	1.1221256	1.0740318	1.1018316	1.1417301	1.0807520	0.9563452	1.0507887	1.1697344	1.0824735
Butyrlcarnitine	1.3236740	1.4290795	1.1269374	0.9324512	1.1985097	1.1808908	0.9632632	0.9956367	1.1295949	1.0435939	0.9492907	0.8996084	1.0685737	1.0495467	1.0987877	0.9868393	0.8702372	1.0514127	0.8788859	0.9654397	0.6488003	1.0007093	1.0279152	1.1914357	0.9577240	1.1145303	0.9941606	1.0433918	0.9453104	0.7524071	1.0558641	1.1152050	1.0192652	0.9423609	0.7409861	0.6460208	0.8098495	0.9957052	0.8143604	0.8415883	0.9439128	0.9040268	0.6709186	0.7400888
Carnosine	0.9419032	1.0913652	1.4346615	0.9794141	1.2933063	0.9691475	0.8547158	0.4889497	0.4112388	0.7238120	0.4873897	0.3478604	0.5509944	0.1681427	0.1533308	1.3868799	2.1145253	4.3408239	0.2541459	1.1341319	3.0002387	1.0157392	0.8111790	0.9832089	1.6910088	1.6464745	0.6972055	1.8073425	0.6039949	1.5892477	1.2610283	6.5948025	0.6654532	1.9071027	0.4525717	0.6975009	0.6076608	0.7794494	2.3235452	0.5991313	0.6466259	2.1523213	0.4279519	1.7247190
Choline	1.4334607	1.6348101	0.2814418	0.9231017	0.2215340	0.5335372	0.2154693	0.4491901	0.7070532	0.2242665	0.3683021	0.3142183	0.2719232	0.4152381	5.7465820	0.7910036	0.6711137	1.7479392	0.8043581	0.6970688	0.8885617	1.4149238	1.0250835	1.1745585	2.3009931	2.2807947	1.4489763	1.5341879	1.0532119	1.0124301	1.5323812	1.2920446	1.3372821	1.3766152	0.7004001	0.5204674	0.7397646	1.0772807	0.9953870	0.5998657	1.0075205	1.0574484	0.6030372	1.1302978
Citrulline	0.7571870	0.5492498	0.4896493	0.6914591	0.3838823	0.3037367	0.4872094	1.2882404	0.4099955	0.8409086	0.9870785	0.2724562	0.3190377	0.2353141	0.3121400	0.6862927	1.3034057	1.5732521	1.4308068	0.8704687	0.9960329	2.9527859	0.8021629	8.7555100	2.6834905	1.8015546	1.1264332	1.9389595	0.5355111	1.0686386	0.2992554	1.5093026	1.2942453	2.3557116	1.5461809	0.9015360	0.7593887	1.6024733	0.5724066	0.6148276	1.1820696	0.9506581	2.3015952	0.7991802
Creatine	1.0626880	0.7911668	1.1065295	1.0293161	1.0013280	0.9527732	1.1891656	1.1313599	1.1255729	1.0427713	0.9935445	1.1719976	1.0827004	1.0760109	1.2683141	0.9624282	1.0831256	1.1648558	1.0759742	1.0494649	1.0834579	1.2676428	1.0493113	0.9278012	0.9319813	0.9308301	1.1156499	0.9054364	1.0878407	1.1305708	0.8058952	0.9122923	0.9631389	0.7772823	1.1367705	1.4732243	1.2505089	0.9538032	1.2117077	0.8766516	0.9280057	0.8613221	1.2244658	0.8413314
Cystamine	1.45494169	0.14248730	0.55272910	0.23757849	0.95586533	0.14986442	0.19430855	0.41455008	0.07258000	0.48727828	0.31194494	0.23207213	0.61455764	0.07768349	0.66024301	0.45298710	0.46560749	0.90346809	0.51281328	0.78711926	0.41755790	0.82811009	0.58690762	0.81447833	3.02537688	2.38841602	3.32313358	2.57003979	0.79009522	0.76201781	2.13604766	3.42712402	0.64149716	1.70201375	1.21294427	3.00765806	2.49917078	0.78817793	0.65559405	0.60887586	1.42272678	2.14412374	1.13938400	1.56264445
Cysteamine	0.83281795	0.49879557	0.38535419	0.06292086	0.80060844	0.54773749	0.08152565	8.31268137	0.65725619	0.47115727	0.63314960	0.31862845	0.21014160	0.56148755	0.03001054	0.62253948	0.62007221	1.12733741	1.00747906	0.71773586	1.99667480	2.86290245	0.65566100	1.71744737	3.31745678	5.30256875	1.18141838	2.51953654	0.56418385	1.85028540	0.87734000	2.37879152	0.83315710	1.35421805	0.70585745	0.77584898	1.15545522	0.53528692	1.13671029	0.40768041	0.88968591	3.07657662	1.59550919	0.48135901
Cytidine	0.59699310	0.15454286	0.59829764	0.14568715	0.42542236	1.21596210	0.10465527	0.08355147	0.09399784	0.68203319	0.26316073	0.17450793	0.10576454	0.60170861	0.23889756	2.66441373	0.27779137	0.26217193	0.78764248	3.66233392	1.12899487	1.57936262	1.77406540	3.78846684	2.95534661	5.09288360	3.51875330	2.99308875	1.64254651	0.81002169	2.05850324	0.78270751	0.80560540	3.01805892	0.62040847	0.12403864	1.03314184	0.99354789	0.94731556	0.43067896	2.39051247	1.70480928	0.86276301	0.94902023
Cytosine	0.63399076	0.12542817	0.55632350	0.20690002	0.37004189	1.15120524	0.11280610	0.09943925	0.13360080	0.64683536	0.27542979	0.22392168	0.14467219	0.58362670	0.24450490	2.42146013	0.35004542	0.34960965	0.79944019	3.30844613	1.07064062	1.64039643	1.73654996	3.27706045	2.85802933	4.95768783	3.09033999	2.50852549	1.55947463	0.79021627	2.03121524	0.69555688	0.84297878	3.08291055	0.63068444	0.15301595	1.03194515	0.97014137	1.00224159	0.44876063	2.21527762	1.65049224	0.92288021	0.85516431
Histamine	0.8671318	3.7210819	0.5366464	0.4219021	0.8370726	0.9911617	0.3947937	1.2528600	0.5093321	0.5451305	0.6702497	0.3954126	0.5451731	0.6054936	0.5213586	0.5798464	0.9549766	0.7368133	0.5490779	0.5695408	0.5371991	0.7700470	0.7068925	0.7516908	1.1030713	0.4705785	0.5568663	0.3803590	0.4455382	0.4385605	0.9379106	0.5971857	0.4647147	0.3885390	0.3824392	0.5219353	0.4424340	0.4512317	0.7614146	0.6929921	0.5424124	0.4461329	1.5138512	0.2485049
Ornithine	2.0918766	2.2491712	0.5436808	0.8790689	0.6657794	1.1099393	0.4011590	0.4053167	0.6053605	0.5304141	0.3489283	0.6259838	0.3321543	0.2456460	0.7950332	0.7936927	0.5190638	1.3243119	0.5290777	0.7741380	1.5773431	3.0120116	1.4906756	1.4600502	3.3228691	2.4980696	2.6846012	1.7398642	0.7576833	1.5381522	1.2770052	1.6392899	0.9212827	2.0596483	2.2790757	0.7984213	0.5611336	1.0366534	0.6712245	1.3819356	2.1804678	2.3272590	1.0503599	1.4357211
Serotonin	0.7999272	0.5746468	0.4959809	0.7779759	0.4524277	0.3543441	0.5970706	1.2429016	0.5067832	0.7104189	1.0100556	0.3515067	0.3470924	0.3126363	0.4214293	0.7880281	1.4216546	1.5304085	1.5272006	0.9447356	1.4681116	2.9298693	0.9643013	7.5332503	2.6856645	1.9956023	1.3235400	2.1412138	0.7291771	1.0311733	0.4552006	1.7093938	1.4752376	2.1800073	1.6834813	1.0974969	0.8320851	1.7896367	0.6780271	0.7449354	1.2028462	1.1505045	2.4280705	0.8206180
Spermine	2.1760621	1.8944174	1.3282735	1.0442483	1.6775293	1.1867756	0.5297104	0.7725327	0.8962008	0.6519439	0.7934984	0.6741572	0.9475168	0.4350648	0.5531867	1.1967719	0.4243726	1.3145846	0.6301581	0.7482905	0.5204335	1.5357995	1.6156671	1.4545020	2.0794181	1.6751510	1.3422730	2.0557070	0.9703901	0.6461578	2.0386804	7.3832281	0.9327410	1.4389941	0.6104402	0.7846951	0.6276215	1.0584868	0.6363066	0.6524270	1.5369584	1.7175999	0.6509362	1.2950126
Thyroxine	1.1144466	1.2901895	0.7262898	0.3086082	0.8164472	1.3585231	0.5152986	0.4116830	0.3925034	0.9703644	0.6516951	0.8556670	0.5991148	0.6233992	0.1960689	1.7720685	2.3706238	2.9258663	0.7392986	1.4018596	0.9806604	0.8610421	1.5805576	1.3967399	1.7453083	1.6894015	3.0817111	2.2918312	1.0041053	1.1655399	1.5167026	3.7921930	1.0775139	1.9946696	1.5268564	0.9579448	1.2092431	2.5400293	0.9399886	1.2129322	0.9489441	0.4764069	0.9793097	1.0121953
trans-4-hydroxyproline	1.1494905	0.8299503	1.1892959	1.1162266	1.0792974	1.1177213	1.0857586	1.2013730	1.1653530	0.9624946	0.9335323	1.1142596	1.2139230	1.0737373	1.3063609	1.0485823	1.0645654	1.1510046	1.1373216	1.0868888	1.1384180	1.2029912	1.0317572	0.9398685	1.0997062	0.9605761	1.0561906	0.8996673	1.1656956	1.1325322	0.7866541	0.9271926	0.9300574	0.9468052	1.2355619	1.4752588	1.1334376	1.0133486	1.1132692	1.0116879	1.0599896	0.9002244	1.2506711	0.8351074
Trimethylamine-N-oxide	0.78294711	0.40187974	0.60904723	0.04477446	0.66230964	0.21858848	0.14331614	0.18650027	0.85627058	0.20622667	0.37651646	0.20474848	0.44194054	0.20877499	0.16130476	0.80861911	0.48900972	3.43901376	0.81608402	0.44101322	0.67158015	3.11799403	0.25220733	0.81499755	0.36226439	1.00552702	3.72091510	2.11179668	1.13976542	4.14110651	0.12615226	1.46480514	2.52518284	1.12476600	1.57180650	0.69734443	2.61384651	0.88893764	0.59431665	0.35093709	2.27519812	1.00565186	1.26419054	0.68544910
β-aminoisobutyric-acid	0.5527417	2.3011739	1.1996894	1.0205377	0.5933744	2.8408802	0.7843246	1.0026793	1.7349740	0.8396897	0.5790652	0.7416501	0.5394605	1.8470948	0.9004878	0.6755948	0.1251791	0.8459281	0.4080860	0.6829783	0.6295391	1.3801600	0.5917969	2.5685592	1.9888305	1.7298366	0.9781138	1.6296059	0.6743641	0.3305091	0.9428886	1.3015477	2.3947664	2.4283932	0.4211116	0.5949175	1.1421687	0.8193180	1.1035126	0.9665321	1.0053682	0.7245384	0.6564796	0.8094828
Acetylcarnitine	1.6812161	1.6633585	0.9828493	0.9155120	1.1515679	1.3812683	0.9898982	0.7981900	1.3964149	0.9813105	1.1553502	1.1202227	1.2048965	0.8295205	0.5837558	1.2135188	0.6692188	1.2673829	0.9692922	0.9568391	0.6188149	1.2222018	1.0262730	1.5081464	1.4132314	1.2199471	1.4470973	1.2937348	0.9577507	0.6841290	1.6039206	1.1582572	0.8676197	1.2655902	0.7489727	0.6844643	0.8104732	0.8573396	0.6684138	0.7239242	1.0135519	1.0047867	0.7041140	0.8005587
Acetylcholine	3.5315990	2.3351217	0.9234217	0.8215865	0.9361126	1.4416606	0.5621728	0.8611212	1.7029113	0.9125002	1.2229468	1.4871292	1.4253207	0.7630309	1.3179400	0.9327883	0.3546224	1.0996060	0.5940409	0.5315476	0.3860584	1.7066146	1.3325371	2.9628106	1.1670584	1.4747579	1.5174362	1.4861059	1.1831962	0.6198270	1.6310742	1.0069328	1.2502312	1.0224120	0.3622054	0.6764055	0.7829299	0.8540340	0.4796868	0.6070681	1.4205841	1.1571725	0.6139793	0.5202819
Carnitine	1.1992465	1.1682863	1.0175989	0.9141147	0.9264845	1.0507714	0.9993812	0.8898325	1.0461396	1.0004539	1.0052505	1.1451464	1.0714913	0.9636375	0.3533210	1.0498005	0.7751756	0.9690215	0.9878783	0.8660874	0.7770229	1.1526137	0.9079354	1.1606523	1.0968284	1.0486996	1.1954202	1.0409423	1.0252988	1.0269776	1.2728084	1.0509157	0.8879312	0.9629609	0.7573248	0.9092926	0.7697748	0.8995727	0.7035936	0.7694578	1.0739727	1.0161160	0.9350279	0.8295150
L-Homoserine	1.6120316	1.6288358	0.7444171	1.7389612	1.4618301	1.3128070	1.1806962	0.9475970	1.4171316	1.7678058	1.0118689	1.1738707	1.0602835	0.6479522	0.9370565	0.9937155	0.8968954	1.7865974	0.6866478	1.2292187	0.8009325	1.0345391	1.1868527	1.4031244	1.2083737	1.4899214	1.1904463	1.1932554	0.7867070	0.5319801	1.2544237	3.6383601	0.8218475	1.4005371	0.4254777	0.4778240	0.7800497	0.5147302	0.7641581	0.7840735	1.1420858	0.9531399	0.4093971	0.5446894
N-acetylglutamine	1.2882830	1.8457088	0.8189648	0.5555165	1.9375473	0.7109818	1.6837777	1.1291851	1.0198963	0.8554621	1.9455092	0.5841883	0.4233050	0.4616345	2.0610287	0.9077878	0.4777145	1.8047063	2.1147484	1.0710314	0.7067200	1.6131986	1.1391191	1.2995975	1.5031384	1.4044760	1.8877000	1.4837843	0.3581091	0.4956505	1.4759229	3.8251500	1.0850971	1.5922273	0.2449949	0.7387278	0.4839055	1.0829740	0.6310415	0.6117979	1.9780246	2.1528386	0.6954177	0.3623930
NG-monomethyl-L-arginine	2.0682946	1.9042415	1.2298767	1.5415348	1.3833154	1.7316661	0.5277525	0.7559162	0.9544610	0.5279456	0.6700960	1.0067128	0.3867439	0.3545021	0.7868210	1.4558715	0.6321615	1.5846581	0.6821549	0.9743306	0.7864563	1.3740753	1.0524739	1.3910334	2.2451880	1.6981936	3.3609336	2.2013818	0.5173355	0.8833383	1.2027298	3.4503472	1.1515030	1.7026224	0.7374223	0.8505168	0.6962396	0.8425484	0.4903547	0.7068363	1.0557928	1.6722583	0.6289224	0.8471480
Purine	2.4985448	2.2295919	0.7241603	0.9016985	1.4743099	1.7622576	0.6956754	0.6685088	0.7605594	0.8799843	0.7011267	0.7683540	0.6650559	0.4505988	1.0286670	1.1618055	0.4672236	1.3954093	0.4760282	0.6567649	0.9628096	1.2778026	0.8781810	0.9669683	1.1903134	1.2900640	1.8634717	1.5529615	1.0393052	0.7927289	1.6571392	4.0170946	0.9308946	1.2848381	0.5025825	0.6324051	0.6123151	0.8416738	0.5573134	0.8186218	1.0490955	1.6382699	0.5070917	0.7107628
Pyridoxine	1.7863906	1.5727585	1.1190429	0.8972646	1.4313899	1.2861999	0.8870816	1.1278372	1.0947417	1.0573045	1.3410128	1.0251350	1.1392830	0.7626707	0.7385115	0.9880752	0.6977125	1.3596009	0.9490322	1.2175723	0.6216406	1.1570526	1.0751960	1.2969530	1.3026095	1.2943680	1.2009645	1.3280047	0.8160505	0.5733564	1.2791793	1.4437698	0.8754764	1.3508214	0.4446292	0.7730352	0.6483124	0.7642221	0.7232719	0.5694818	1.1540766	1.0719322	0.6684501	0.7993102
Aminoadipic-Acid	1.1161708	1.2855705	0.9265004	0.4895657	1.4591123	2.8910070	4.8770342	1.1248645	1.0672151	0.6494198	1.2587796	0.8783287	0.7276893	0.4280372	1.2060999	0.7077395	0.8613125	1.0555352	2.3284424	1.0937723	0.2817876	1.7908981	0.4447806	1.2607868	3.0849590	1.8582576	1.2126600	0.7906838	0.3385211	0.3510416	0.4264945	2.9959278	0.8695336	1.3941181	0.3394740	0.7522324	0.4815882	0.5532137	0.3886036	0.3369036	1.3645576	1.0512950	0.6116735	0.4898866
HomocysteineN	0.9348951	0.7599760	0.9156802	0.9217578	1.0465768	1.0836900	0.9833285	1.0590793	1.0263699	0.9735356	1.0055628	1.0227557	0.8993994	1.0528417	0.9763003	1.0161640	0.8994489	1.0007484	0.8890578	0.9703172	1.1501861	1.0413531	0.9712482	0.9420781	0.8806469	1.1622104	1.0063705	0.9079677	1.0112901	1.0082970	0.9384458	1.1388850	1.0104039	0.8194677	0.9652540	0.9387799	0.9707019	0.9023184	0.9462545	0.9364407	1.0996688	1.0342750	1.1294591	0.7847237
Acetoacetic-Acid	1.1970045	1.1580508	1.1909977	0.8602297	1.0378691	1.3534368	1.0986740	0.8642966	1.2603735	1.1028275	1.1745669	1.4957410	1.2278403	1.2345846	0.3695837	1.0607667	0.7470962	0.7998232	1.1063656	0.8430754	0.9002050	1.2081165	0.8108437	1.2430435	1.0331078	1.2050188	1.0966531	0.9877620	1.1339348	1.0600721	1.3186850	0.9664313	0.8922687	1.0038407	0.7793760	0.7536549	0.7638679	0.8060228	0.6889986	0.9737574	1.2961487	1.2368061	0.9373315	0.6014174
5-Aminolevulinic-Acid	1.6037614	1.8233877	1.3147657	0.8625550	1.1204831	1.4771686	0.8488102	1.1217248	1.2025468	0.9853648	1.1145112	1.1616968	1.3065327	0.7195395	1.1575409	1.0256938	0.7340347	1.3099821	1.0109523	1.1003333	0.5943619	1.1713544	0.9309147	1.5420996	0.9104697	1.1949566	1.0834984	1.0984053	0.7851086	0.6578331	1.2536197	1.1327213	0.9803043	1.0679492	0.5844024	0.8622798	0.6215957	0.9651878	0.6968275	0.6884615	1.1920893	0.8737538	0.8864978	0.8527695
α-keto-β-methylvaleric-acid	1.1441157	0.9313009	0.9193730	0.7155139	1.2916808	0.8308176	0.7229379	1.1721109	0.9374131	1.0791975	0.9657216	0.7468571	1.0123748	0.8652812	0.6695466	1.0618588	0.7332573	0.8730093	0.9480638	0.8217890	0.8340787	0.8282857	1.0977450	0.6591537	1.1898597	0.8511216	0.7437446	0.8224941	1.1524166	0.9568470	0.4761595	1.2413124	0.9860464	1.0217383	1.2408496	0.6620512	0.9899763	0.8896662	0.8968457	1.0298615	1.0777396	0.8438371	0.8872313	0.8065843
2-Methylbutyrylcarnitine	2.49442030	6.20237518	17.10020622	0.20955966	2.99324203	1.51374087	10.02852114	0.47650031	1.17432195	4.92466055	0.49334964	0.43729421	0.49617539	2.90351424	3.33986633	0.39507495	0.10308876	0.16147965	0.05759496	0.23313282	0.03266743	0.11371888	0.09893361	0.18330381	0.07676222	0.12416127	0.31500277	0.07986418	0.11019131	0.06804490	0.17325617	0.15362161	0.09045374	0.21283389	0.11703742	0.12216110	0.10997536	0.06455194	0.08884207	0.15751396	0.15040024	0.09985499	0.03641399	0.10775414
Propyl-l-carnitine	0.8655844	1.0137559	0.9551917	0.8730935	0.9393238	0.8296512	0.9013765	0.9105960	0.9023497	0.8188775	0.9789501	1.0325949	0.9550012	0.9286607	0.8806121	0.9766256	0.9590210	1.1550417	0.9644597	0.8681391	1.0338475	0.9393599	0.9361048	1.0308694	0.9960718	0.9452885	1.0518810	1.0921481	1.0650491	1.0212459	0.9768349	1.0742395	0.9157679	0.9511067	1.0761139	1.0464494	0.9606677	0.9537266	0.9986781	1.0212248	0.9912794	1.0121089	0.9338076	1.0194309

metabolite_name	Ionization mode	Q1 Mass (Da)	Q3 Mass (Da)	DP (volts)	EP (volts)	CE (volts)	CXP (volts)
Glycine	+	76.018	30	40	10	9	13
Alanine	+	90.23	44.069	41	10	16	8
Serine	+	106.074	88.094	46	10	15	10
Proline	+	116.095	70.04	51	10	24	13
Valine	+	118.076	72.03	61	10	16	15
Threonine	+	120.099	74.055	44	10	15	8
Cysteine	+	121.94	59.1	63	10	26	9
Isoleucine	+	132.17	69.01	46	10	25	16
Leucine	+	132.17	43	46	10	44	10
Aspartate	+	134.14	73.97	85	10	19.5	12.5
Lysine	+	147.14	84.007	51	10	25	12
Glutamine	+	147.14	44	51	10	73	10
Glutamate	+	148.15	84	54	10	23	10
Methionine	+	150.088	61.072	44	10	33	10
Histidine	+	156.072	110	49	10	21	12
Phenylalanine	+	166.117	120.04	40	10	21	14
Arginine	+	175.139	70.02	43	10	32	10
Tyrosine	+	182.139	91.066	41	10	40	10
Tryptophan	+	205.114	188.047	43	10	15	12
Asparagine	+	133.15	74	56	10	22	10
1-methylhistamine	+	126.002	85.1	41	10	27	10
2-deoxyadenosine	+	252.068	57	46	10	57	16
2-deoxycytidine	+	227.976	111.9	71	10	21	52
5-HIAA	+	191.966	146	61	10	27	24
Adenosine	+	268.002	136	26	10	29	18
ADMA	+	203.069	70.3	41	10	41	12
α-keto-δ-NG-NG-dimethylguanidino-valeric-acid	+	202.013	70.3	46	10	23	8
Anserine	+	241.033	109.2	31	10	35	16
beta-Alanine	+	90.092	72	51	10	11	10
Betaine	+	118.013	58	66	10	43	16
Butyrlcarnitine	+	232.076	85.1	51	10	29	4
Carnosine	+	227.002	110	51	10	33	14
Choline	+	104.808	59.8	111	10	31	12
Citrulline	+	176.062	113.1	36	10	27	8
Creatine	+	131.928	62.8	66	10	29	10
Cystamine	+	152.907	65.1	51	10	33	10
Cysteamine	+	78.858	61	16	10	29	8
Cytidine	+	243.977	112.1	71	10	29	28
Cytosine	+	112.004	95	101	10	23	10
Histamine	+	112.921	68.1	36	10	45	8
Ornithine	+	132.92	70.1	46	10	25	8
Serotonin	+	177.086	159.9	1	10	19	16
Spermine	+	202.977	70.1	56	10	37	10
Thyroxine	+	777.623	731.8	71	10	43	42
trans-4-hydroxyproline	+	131.753	63.1	51	10	51	6
Trimethylamine-N-oxide	+	75.87	58	96	10	27	8
β-aminoisobutyric-acid	+	104.024	85.9	61	10	11	12
Acetylcarnitine	+	204.066	85	46	10	31	16
Acetylcholine	+	147.059	88.2	51	10	21	14
Carnitine	+	162.106	60	41	10	23	8
L-Homoserine	+	120.086	74	51	10	17	10
N-acetylglutamine	+	189	130	46	10	19	12
NG-monomethyl-L-arginine	+	189.036	70	56	10	35	14
Purine	+	120.977	94.2	56	10	31	14
Pyridoxine	+	169.988	151.9	36	10	21	18
Aminoadipic-Acid	+	162.079	98.1	1	10	21	14
HomocysteineN	+	136.946	118.9	101	10	25	14
Acetoacetic-Acid	+	102.881	58	96	10	51	10
5-Aminolevulinic-Acid	+	132.114	113.6	100	10	30	15
α-keto-β-methylvaleric-acid	+	130.823	85	61	10	13	14
2-Methylbutyrylcarnitine	+	246.833	85.1	6	10	31	14
Propyl-l-carnitine	+	217.4	85.2	71	10	25	10