metabolite_name	Tips_R	0hpa_P	Tips_M	3hpa_L	24hpa_P	3hpa_S	3hpa_T	24hpa_S	3hpa_M	24hpa_R	0hpa_K	3hpa_B	Tips_O	3hpa_R	Tips_K	0hpa_M	24hpa_T	3hpa_O	Tips_L	24hpa_L	0hpa_B	24hpa_O	3hpa_G	0hpa_O	0hpa_T	3hpa_K	0hpa_S	0hpa_G	Tips_B	3hpa_P	0hpa_R	24hpa_M	Tips_G	Tips_S	0hpa_L	Tips_T	24hpa_K	Tips_P
Malondialdehyde	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Glycolic acid	15733.30564	14947.27628	9443.725133	13625.12695	12274.66086	14073.206	13840.47082	11364.33511	17001.68478	11663.88263	13162.90589	16291.78534	14635.10926	13033.69826	8449.110469	8048.160399	14350.17239	8286.747522	4104.068463	17721.8568	9822.06162	10559.81734	51916.37389	10212.09488	9315.765876	12300.22613	12926.3573	8345.969348	10741.09829	8719.49827	10299.42573	7669.515792	8084.358982	9806.160075	16727.68686	9110.891235	8396.140822	11890.98474
Pyruvate	39714.01386	27333.76212	50510.24307	145420.8478	96154.28335	45365.93234	57791.38456	64990.27515	166652.3379	65548.60052	93976.49988	121411.0502	85176.95511	48737.83913	47444.06757	57264.37877	57016.56857	25475.5452	48793.25325	88877.76983	65868.96902	70262.98847	74579.54066	100305.1348	61148.16294	91208.06893	34794.39646	72636.69733	28665.20426	48875.99252	62345.64957	89168.40062	47904.80631	45454.57075	79973.25633	55521.86781	88762.13226	42450.40696
Lactate	1933947.951	1134601.968	1132185.931	2479339.198	1305305.85	1142992.197	872223.8416	1490691.68	2406531.188	1401260.966	3102418.553	3161750.076	2793344.617	991769.0131	1730764.338	1025765.299	942634.8618	1469132.711	5686060.867	2405769.48	1044411.676	1494266.337	2373324.977	1349759.653	1280127.99	4275099.848	1957574.963	1071546.812	617117.6859	951343.4726	882893.8672	1345539.571	976654.1917	687565.5943	2362594.04	971434.8116	1890260.417	2276604.087
Glyceraldehyde	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
3-Hydroxypropionic Acid	25153.42229	18567.83223	15437.53961	25823.46166	11479.14355	30826.79188	22680.9371	27209.43814	20214.27642	19671.16068	10884.56223	16635.51022	12161.93589	23570.08226	17239.52039	14285.20791	23875.19485	21626.55794	6076.367904	31908.49833	5789.905402	8677.020079	22333.87759	3567.97619	10702.15691	29150.87834	17129.05525	17351.17255	4865.601973	7840.493878	9565.400979	6468.323289	19800.27563	8100.069457	23187.14474	12904.95308	9718.294191	18451.8992
3C13-Lactate	34083899.21	35304631.34	34707213.13	48441933.35	38326971.42	37210936.97	46386594	37038604.13	53197026.51	39246439.11	35046044.01	59845071.13	37789203.85	36643280.35	35594991.97	36046970.77	44132388.03	36433940.25	76345108.22	57186551.37	33920057.06	34621747.29	51812714.57	43132585.75	35527133.42	60145657.01	57324006.67	33053201.37	33710086.18	32465618.95	33588676.58	34324119.89	33895061.95	37392263.77	58372689.34	32583800.72	43669712.56	51714541.4
isoValeric Acid /3-Oxobutanoate/4-Oxobutanoate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
2-Oxobutyrate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
gamma-Aminobutyrate	13505.758	12287.95106	12099.38883	22850.62949	19993.42391	11230.3775	14786.39548	16155.3829	26257.65891	18170.99621	13679.92448	26331.27303	12018.92033	10957.08715	11134.51153	12762.33035	18388.15341	10017.60371	17986.5677	26328.16279	16611.10711	14114.32356	23058.47052	19864.75096	12357.01061	24659.56993	20440.41416	12357.12095	10335.55345	13804.41097	13522.00197	16371.76114	11864.49153	12932.73295	25368.00377	10432.38964	25586.5763	19973.2082
Malonic Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
3HBA	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
2-Hydroxyisobutyrate/2-Hydroxybutyrate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Glycerate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
4C13-3HBA	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Uracil	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Fumaric Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Maleic Acid	418508.7322	513985.0755	365042.8666	325372.0862	492505.2462	414092.761	301425.9519	372526.5894	435403.6495	371609.5033	503809.1122	878570.0815	518440.8577	361945.3429	588353.9127	372335.9242	367582.592	419805.2455	386216.0598	332551.5176	411298.1349	267826.4234	748740.1513	310921.7864	557065.7658	274270.2433	250936.5887	325171.0757	356437.2344	329168.4474	337693.9838	357108.3273	314365.424	521903.1911	251153.1558	379618.906	385565.4767	271216.9021
N-AcetylGlycine	118796.223	99534.36273	100253.6012	128527.8645	100513.9393	108609.0034	142796.4367	94905.83143	130546.0437	99700.64244	108130.1901	141946.2693	125021.7792	112993.4276	82267.49126	82412.57725	112973.1837	101027.5412	48095.73154	157090.3527	80965.91119	83849.50942	175965.1746	122305.4588	98759.82531	130711.3368	131670.6398	84673.43986	74398.22698	91730.91248	77972.85249	75649.67153	65468.29703	110727.3325	142633.2496	73046.39268	101890.8141	115553.5937
Guanidinoacetate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
2-Hydroxyisovaleric Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Succinate	2868071.771	2035591.044	1832503.25	2691812.839	1291519.115	582902.0277	2138740.241	1373521.452	2493331.168	1551232.413	1364841.674	2215828.016	2288156.978	1161283.214	1654100.81	1010471.596	1977703.244	895257.5151	2796185.169	2331198.931	776343.9574	688661.4526	1233178.4	1782351.291	898212.6844	1795211.334	1524738.852	737718.7732	1025477.971	634357.8987	710066.591	569717.3911	1164494.172	1676237.238	1956913.046	1255573.108	1273850.715	2422197.261
Methylmalonate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
3-Hydroxyisovaleric Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Erythrose	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Threitol	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Nicotinic Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Picolinic Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Thymine	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Citraconic Acid	78591.51125	82782.53216	62381.0644	52795.19425	69960.24823	58614.25668	57750.57137	69078.04798	44063.63312	57036.41045	55660.56705	56281.14981	67564.94999	55673.07848	63730.98395	38214.85113	80827.79892	48662.93563	84207.59279	48994.33757	38728.67968	41332.02086	98614.73527	48860.05826	43025.78231	49489.30694	48485.83661	51976.46037	38282.26012	45372.2594	43977.59096	49995.6279	29284.27618	43565.70613	47579.69881	79937.41083	34859.50591	38642.08614
2-oxo-Isocaproic Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Itaconic Acid	455421.4208	499406.1222	506404.5326	832404.593	1183373.138	548786.2018	650743.0353	1063818.958	936421.7375	1048440.382	386226.1731	854437.5606	412174.5226	434728.0797	413799.1405	381817.9734	1179857.28	382651.1519	253283.395	1398105.41	305188.3202	474625.732	681663.0146	487634.1705	361251.1363	692695.9502	707684.6299	329019.4705	230878.9531	275314.2642	327480.0814	785412.1454	337968.4364	331682.675	686794.8476	338327.2246	792413.1749	708497.591
N-Ac-Alanine	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
MethylSuccinate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
D-Leucic Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Glutaric Acid	118107.7805	136625.0473	106044.7472	152770.4541	142736.4791	123901.4065	132671.3235	108068.2995	133271.8975	92280.46825	76581.76926	148425.1119	131376.163	99397.82854	102747.8583	81454.74302	118622.0808	87415.79039	185300.4637	142899.4778	66696.30026	66274.5335	61517.12432	96530.75858	71226.8271	104585.7369	125198.619	67041.00796	78267.39935	60311.90549	53310.48119	54981.62602	55854.01376	92769.16996	122598.0775	65386.61174	94239.93208	111753.2495
Oxalacetate	373914.9149	387352.9344	394346.0273	550514.0583	438636.1576	440667.7939	529856.2725	430729.5363	643920.2195	426181.7391	400724.3065	719656.8484	425700.9749	415204.645	394089.177	438573.5909	587986.2361	430523.6122	704594.4733	665457.8018	373718.4011	382236.6554	640226.8475	561149.3762	383694.8957	664225.9957	675073.0076	363311.0992	369507.836	366173.0061	357121.0664	372565.4126	378808.5277	459378.3498	675881.6308	340546.9713	491453.8551	611706.8917
Ethylmalonic acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
N-Carbamoyl-B-Alanine	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Malate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Adenine	262770.1005	140185.1081	307976.4506	204213.046	172322.6615	114579.4761	123505.6753	168291.282	251922.7932	182035.15	248201.9322	225185.7797	256485.9932	151521.0394	197688.5213	207975.2118	119653.2482	55303.57723	440120.8452	317104.4692	167323.5731	158322.5373	195439.995	257495.2299	256157.809	314952.2261	166460.7278	382682.6264	294883.7983	179376.665	280999.0716	303096.5772	647842.9128	720537.7531	450401.2395	446149.2163	449411.1792	378954.2258
Allopurinol	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Hypoxanthine	194051.4302	449870.8013	227826.5297	1499222.381	976635.2869	468294.4528	722331.9772	695639.378	1518711.884	901529.2651	587339.5643	1291509.629	188741.2553	803447.0203	152520.7699	626908.1324	797618.4299	141947.3929	368789.5788	1399671.304	494598.3596	681986.8986	997182.0495	697486.1898	493282.7292	1177804.968	453191.5637	850447.2026	160442.6702	718610.6552	574751.2993	784501.569	316648.5454	165289.672	772068.3084	131799.3876	1049956.574	163407.7359
Phenylacetic Acid	9914.214045	10066.13018	7662.939018	8379.578552	8033.182852	6346.234156	8231.470598	10869.63912	12200.51963	6459.157925	12399.91287	12194.54924	13025.37733	9663.496282	11652.91639	6830.371059	13007.44073	11107.90646	20167.10986	15709.65793	7242.767323	8544.470438	8327.088515	6532.252379	7816.249345	9555.021424	11182.10347	6188.348157	11714.95163	5479.739687	7074.564935	8614.070219	8152.198259	10418.93145	8811.295109	10034.55047	5964.732061	17010.64108
Erythronic/Threonic Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Anthranilic Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
4-Hydroxybenzoic Acid	378381.7777	317897.3224	143928.3339	411759.2756	88207.06046	207497.1007	96939.74124	188602.7924	502542.9428	231519.0936	312239.8598	316906.104	243440.1254	171459.4749	161467.8505	266982.6111	209052.3033	336051.901	459488.0894	190214.5965	156246.6142	262932.6273	1331870.318	250759.0822	440319.1907	373980.259	266586.0143	80296.84776	91425.0533	169203.9045	282627.3415	89777.20617	75811.39716	163763.2517	192163.579	198558.4844	128986.4881	268815.85
Acetylphosphate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
o-Phosphoethanolamine	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
n-isoButyrylglycine	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Adipic Acid / 3-Methylglutaric Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Alpha-Ketoglutaric Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
2-Methylglutaric Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Mevalonate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
2-Hydroxyglutarate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Citramalic Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
L-Tartaric Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Xylose	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
alpha-Ketophenylacetic Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Hydrocinnamic Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Oxypurinol	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Xanthine	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
2-Hydroxyphenylacetate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
L-Mandelic Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Arabitol/Xylitol	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
3/4-Hydroxyphenylacetic Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
3-Hydroxyanthranilic Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Dopamine	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
2N15-Xanthine	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
3-Sulfinoanaline	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
2,3-Dihydroxybenzoic Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Gentisate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Orotate	29438.57466	37361.59924	22969.43053	59004.23788	76561.36814	21954.29891	19526.20971	38990.53058	57272.43847	52229.06736	45193.87801	54067.58764	44969.3537	28625.31615	25406.50102	30349.95899	27648.86835	24640.41252	117218.7254	79444.89033	18664.35948	24972.94123	111426.476	39802.36544	19837.78215	54620.30757	20833.70349	20037.08755	14598.69334	40143.82857	22140.90462	48469.82148	16849.55729	35399.07277	30840.01245	17242.21254	88082.00668	39950.62261
Allantoin	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
n-isoValerylglycine	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
2-Aminoadipate	22095.93198	67385.40995	33817.40313	314143.1065	92453.04865	119398.9856	190485.8309	73559.25726	332002.8825	61873.48287	110016.6921	466914.0241	21695.17414	163548.4333	27965.00672	94536.1061	57732.84201	37045.59333	20201.31517	261764.2023	181122.3293	99496.31089	293261.0693	212526.0488	76579.08259	221698.2091	63091.87196	208997.3622	17349.30338	138547.176	103329.1891	87707.41441	37747.66554	41684.43356	155134.7792	22496.40656	117982.6739	29970.38137
Indole-3-Carboxylic Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Indole-2-Carboxylic Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
3-Methyl-3-Hydroxyglutaric Acid	37202.11013	32917.03386	31588.58796	59357.94091	51752.61081	45194.84544	56781.17331	41508.96994	61144.53974	40121.39267	25909.45226	59855.99143	33801.92869	32397.52646	23208.4889	26322.10296	60273.2776	23875.25708	67399.56859	63805.09133	17201.95812	18240.84512	31108.54678	41163.80341	25831.12005	48135.63004	55661.39945	15833.02614	16292.06265	21074.17229	17719.56847	15744.61634	14692.44223	29834.68073	53048.69657	12561.90501	30389.28735	37704.29865
PPA	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
3-Hydroxycinnaminic Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
p-Coumaric Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Xylonate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Phenyllactic Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
3-(4-Hydroxyphenyl)Propionate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Quinolinic Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
PEP	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Homogentisate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Urate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
DHAP/D-GA3P	278620.1383	221469.0037	165024.5657	164999.3502	166085.2302	116295.581	173103.0383	131164.6409	166059.0784	143837.2834	238277.3751	204196.3175	145057.4425	199956.1261	164282.9936	114224.9599	178553.8419	117754.4298	188586.573	148148.5764	99686.85692	92763.90057	168652.4629	128404.4794	118832.2012	98736.79487	103113.5371	70888.63333	82397.03961	87707.30084	67493.95017	105758.0199	75756.69291	133231.9603	118347.5679	107017.9029	108623.3972	84793.41962
2N15-Urate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Glycerol-3-P	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
trans-Aconitate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Shikimic Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
cis-Aconitate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Suberic Acid	364734.0049	167985.4671	215242.2455	301099.739	306580.7574	245207.509	196538.5501	215341.5603	251626.2783	191728.9363	253123.086	309283.3942	275722.9032	195681.0056	179575.9335	183532.5508	113416.7184	122768.7224	807239.0993	327133.7791	157048.961	206759.4184	172362.3633	139640.2151	137704.7889	229494.8176	205010.5067	144023.9044	177833.2337	134842.4321	162635.6816	163173.9517	135385.1442	139334.8449	225409.1392	161919.4176	216823.7471	180807.0788
Indole-3-Acetic Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Citrulline	124766.7647	153298.3577	258156.7564	172933.5791	124886.1221	102470.5855	207269.4318	114552.251	151377.3495	115397.309	174085.0143	153264.0459	126002.0681	98386.77808	107457.8906	154656.3244	102275.1075	30120.67194	314943.5121	176849.382	142989.5106	93480.58167	154071.9884	131793.487	385783.7855	1146550.359	42578.22031	215403.7464	65484.61264	93867.29516	139756.9404	116474.3283	69406.3964	91258.07487	92193.31544	76985.55009	140952.0823	93815.66075
N-Acetyl-Aspartate (NAA)	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Ascorbic Acid (Vit. C)	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
2-isoPropylmalic Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
1C13-Citrulline	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
3-isoPropylmalic Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
n-Formylmethionine	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Hippuric Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Inositol	84390.71054	55946.02202	74456.12924	193846.6462	196586.6384	58875.5314	115231.4268	131824.2474	200276.2332	197135.3167	118025.7362	159700.4251	84280.98222	111703.4371	64096.47287	101106.016	151859.519	19633.14747	140483.9863	355789.1274	106541.5562	138317.1024	105362.1132	192821.8692	97265.16623	189429.5505	90842.80365	84215.48192	60326.21664	88878.61615	109771.6286	170558.2579	76869.16389	97844.89204	189304.7797	76935.98398	252631.0785	96075.13779
Glucose	100214.9225	78361.0462	86980.20729	146738.5361	113416.427	83003.28833	112745.4505	92790.0678	174777.7078	104478.2644	89867.01554	179235.5122	100011.3248	97359.54405	79374.00159	83159.31074	121210.2758	69050.90154	254844.7639	223796.1119	88077.263	92334.2083	145240.6084	138693.4087	86031.25358	168966.3486	135311.4013	105175.9066	82450.28034	81504.52082	85967.31615	95441.25122	87428.12242	106380.4308	149845.9827	75194.0071	142575.3025	118954.3825
Mannose	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Fructose	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
OH-Phenylpyruvate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Theophylline	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Sorbitol	28994.32163	22789.56258	33457.87181	148566.4079	91064.63446	24070.58249	88026.91341	27419.33872	243123.3715	40368.23239	55503.14702	113869.1094	62605.30178	22440.67616	25769.26896	16527.49463	58287.28389	20667.72373	369930.3982	137403.9539	19960.08833	25326.09928	279156.5481	214378.3875	26648.29213	677780.2635	44102.2284	942268.8516	13476.69546	16800.86143	11347.34631	20313.71946	12009.53201	37212.01956	614001.3463	11386.22468	180604.6604	97785.63044
Homovanilate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Mannitol	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
4-Pyridoxic Acid	31212.80694	29919.58214	26976.45069	38876.23671	36348.97997	23561.37869	21368.02193	46093.04589	28535.81064	25662.54317	24883.67092	34289.04524	82658.48895	28640.41276	28877.0429	30566.53457	40296.84705	30067.34814	45076.82671	35259.23044	26077.50401	21078.64877	20241.0163	31359.85946	28067.35383	20268.64388	19974.23425	28956.909	26017.40245	22555.61178	22338.07412	24665.61838	24179.03501	28895.03445	38467.46737	25311.48724	32193.39951	22252.6759
Phosphoserine	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
6C13-Glucose	22901059.43	22993090.7	23107551.57	32175447.27	27319332.89	24498684.37	33458793.34	25078863.16	35472125.24	26331265.18	22018352.64	41328615.04	25225841.65	23853436.47	23218310.72	23419195.79	34663443.25	25294540.6	57225182.31	41462167.21	20514448.54	23014443.14	35499094.31	33192081.99	23241448.38	40330312.37	38672357.49	20684284	20436788.72	19776906.17	20047861.92	19975639.44	19532042.53	25315955.59	37656531.35	18607237.2	28588103.2	30593350.29
2/3-Phosphoglyceric Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Azelaic Acid	1000458.101	309262.1378	418717.5703	569880.8571	477164.3621	463752.5214	413903.5417	413356.3361	520756.6479	340478.4873	395143.1062	675173.1702	594506.435	414982.5184	364723.996	339182.2587	226884.3042	237964.1873	1984687.104	675431.5003	332004.121	336370.4956	393923.7442	224447.5234	322866.4162	433081.7891	456386.0595	298834.8029	330343.0688	287234.494	282391.0205	332271.3897	484182.1576	311452.846	511109.6989	291494.0183	436495.983	427384.7774
N-Ac-L-Glutamine	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Kynurenic Acid	435390.83	317542.7831	412939.4295	1197780.819	608733.4924	247565.7929	216647.451	243018.1826	1533024.808	193213.0435	752483.8694	1589475.504	1103262.378	247332.4421	213771.6549	508867.6113	404765.371	578223.6922	1904741.353	1326240.641	897749.7368	748490.0104	1439463.737	1257641.872	318264.0496	763529.2061	922015.8267	328896.588	1194955.084	637045.1599	496200.4904	539751.578	500293.7673	1317891.693	1716762.535	291337.2079	1078725.1	1988425.163
N-Ac-Glutamate	30063.94079	25893.09876	25235.98083	35495.82994	38263.03661	26761.47897	24970.15584	29670.83479	32351.46286	37054.22731	26803.90515	38106.3343	22994.41902	30645.24788	23328.33524	20719.13573	23760.55441	15243.5295	34660.33976	39315.48155	35976.97963	25183.39268	28285.87282	27404.20302	23007.39514	28846.83339	22607.81191	28987.79632	24912.66263	24644.13072	26588.89274	32466.08275	25861.00158	21688.22585	19785.18856	19289.62476	34492.63921	18768.91183
Indole-3-Propionate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
5-Hydroxyl-Indole-3-Acetic Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
N-Ac-Methionine	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Citric Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Glucoronate	50581.2437	20990.37335	50368.798	40100.97907	60579.53448	17391.46644	23543.9876	50206.50491	45585.56743	59996.85528	19917.21368	46572.13538	61089.68795	28102.63909	51578.1638	28275.48225	60952.93129	13435.99425	210605.8103	146495.0822	25960.73433	41561.32082	31873.35965	43601.76764	29581.34802	47821.11603	35224.57611	28175.58913	37646.24395	29013.00529	37059.94435	78808.08017	43827.69399	68251.62435	58595.65209	62817.74138	123543.7063	96260.89782
4-Hydroxy-3-Nitrophenylacetate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Vanilmandelic Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Erythrose-4-Phosphate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Cysteine-S-Sulfate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
IndolePyruvate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Xanthurenic Acid	158225.0142	150582.4665	153446.2885	192079.8345	167565.0724	153049.3877	181200.6307	176880.733	195769.1481	183926.5467	177289.9375	235771.3664	177603.208	165387.7888	184382.901	183014.4316	189082.9212	169801.9017	299179.8937	248656.3587	201546.7028	195197.0413	212192.9675	240062.9643	199133.8505	275495.7952	255787.069	194092.3077	181749.1781	167499.0441	195679.3342	196512.2929	186877.1016	183470.3262	231410.2804	173974.65	210502.4899	221318.836
Indole-3-Lactate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
N-Ac-Phenylalanine	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
3-Indoxyl Sulfate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Pentothenate	93965.95703	62659.90641	115853.4348	343351.2734	96732.23848	70742.01929	103219.8157	70526.46463	497750.8619	96428.96462	137077.5888	363587.9457	104105.2302	162017.0413	97735.26295	126647.9387	85208.72619	30285.80404	323155.6942	197259.5645	238302.7002	75597.81794	232179.9579	318742.7972	93272.19738	200652.9783	98281.87456	196941.9836	141102.6992	116608.916	151779.8655	107874.1505	193570.9063	134246.0502	249623.7428	110729.1872	168897.3726	139827.0634
Cystathionine	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
N-Ac-Tyrosine	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
4C13-Pentothenate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Myristic Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Ribose-5-P	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Ribulose 5-Phosphate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Melatonin	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Tetrahydrobiopterin	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Thymidine	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Pseudouridine	7704.302938	3467.184622	6293.360554	14618.48591	13085.67219	7974.758518	9672.926805	13384.51564	18006.59073	16509.1393	8714.198934	138575.3396	8361.151579	8649.82665	6525.238015	5075.784457	11205.8303	3058.694448	15882.37461	28409.68361	76656.10434	11818.11729	211470.5158	13580.40563	5721.969081	15069.72388	5842.164538	49867.32509	50374.06627	8576.139951	6394.124972	12783.8401	72271.82649	8367.554044	10660.60251	4107.711757	14465.47996	10033.19821
Biotin	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
N-Ac-Tryptophan	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Pyridoxal-5-P	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Palmitic Acid	267031.2465	163483.7919	231195.1911	240785.0195	187465.4871	143053.4297	184917.4499	238374.6277	271278.5025	181494.4749	240630.6476	295350.3059	296371.7432	212405.0427	151582.4362	217047.2	198207.953	75283.81128	44306.11108	286131.9246	297085.8565	151035.0951	98994.60811	197125.2901	162313.704	239879.9445	188926.6471	286169.0214	234310.7661	199211.7985	173611.1147	196197.1867	234174.4062	190115.5097	321236.5667	175994.2583	228897.2754	214846.3636
5-Methyluridine	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
5-Hydroxymethyl-2'-Deoxyuridine	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Glucosamine-6-Phosphate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
G6P	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
G1P/F1P/F6P	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Phenylacetylglutamine	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
MOPEG Sulfate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Margaric Acid	68349.58412	34776.20796	44120.52675	99293.86133	56112.94423	47714.05795	89151.65336	67904.36417	125728.9252	85887.85531	105746.8522	180277.3309	67283.28636	66047.3318	44384.61136	44403.22295	73092.01458	44097.95286	114295.531	129993.0292	67212.11042	52501.57392	72780.53469	68506.69476	48168.49042	91050.17078	87989.88828	28780.57585	41243.23087	49539.29155	31755.39583	26189.48054	29024.52555	50927.35458	95238.70367	35449.23037	61980.98319	86832.13948
6-Phosphogluconic Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Linolenic Acid	84968.99024	32156.388	89538.89011	183972.0369	64408.24391	63834.88933	98924.6225	33977.32155	201567.9612	75424.52063	120746.9399	136546.0864	102070.7692	114778.9485	79075.88415	123651.0173	73431.1185	51191.44385	193183.7555	152900.6637	106186.4021	26066.53808	18283.26423	89487.43186	91206.69333	140052.599	83654.93087	118504.4772	77566.93616	87392.98612	98866.75291	66773.47064	117574.5754	114732.0712	129753.4715	103626.5961	108976.7931	112634.4539
Linoleic Acid	548813.9614	228215.2232	693201.5081	1341234.348	503613.0143	475743.0158	786043.2096	275276.8799	1446518.831	533209.3936	943545.7377	1095443.606	754356.4385	864408.7814	612717.9564	982944.931	477163.2494	7830.727028	800038.8035	998572.4141	911261.3681	22188.26913	81420.82298	651447.668	711344.5068	1082971.047	596820.6241	941038.2336	652192.4348	704657.8313	773018.6716	553671.491	960448.527	874702.6983	852629.5476	803417.6157	820677.2853	847031.6308
Xanthosine	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Sedoheptulose 7-Phosphate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Retinoic Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
N-Acetyl-Aspartyl-Glutamate (NAAG)	33498.99179	37209.56665	54375.51077	130355.1809	237663.5653	194875.3173	175575.3149	108801.5566	304165.03	307284.4003	95815.86094	272689.5361	238915.6488	113758.405	107292.7828	62528.81793	132437.9729	119222.3698	57584.80426	172465.3897	93665.60108	141141.7714	231607.3807	282680.782	166873.6598	204970.3124	266824.8363	78552.55303	103538.79	55067.64273	71413.45647	69895.02356	122093.7732	93308.32937	89680.46971	99894.2916	83366.16011	351305.4087
Arachidonate	257915.6838	221102.7744	357945.684	907996.502	403526.5304	325367.8569	471660.7314	235168.4431	941636.2096	415852.6658	561993.5604	678919.8479	394235.6188	571695.4473	299569.8001	645281.5649	457224.9775	14911.69509	398066.9794	876499.6475	567631.1911	30681.43895	61537.8543	441031.1594	460490.7585	695616.9696	390635.7214	527593.0834	291011.1709	451702.0962	553604.0065	476380.6409	441196.4907	436209.2689	579743.3466	389628.1512	708235.5712	454409.3326
DCMP	1389.905719	1834.423531	N/A	15257.16386	12451.31312	N/A	4464.561566	7077.884459	29752.33836	11624.49625	N/A	15428.52842	N/A	N/A	N/A	3767.764348	5360.509902	N/A	N/A	27608.9918	12498.60231	5866.385273	15141.62665	15863.84187	2880.988689	10975.15631	2430.611467	10694.63854	4493.22025	5806.432878	7885.721178	13253.70858	5982.588224	3447.735614	18247.0445	N/A	20413.85206	N/A
Reduced Glutathione	99131.07727	212514.0987	147939.9697	2504111.09	1785059.647	283823.3299	721764.5152	1010220.365	4223971.963	1850569.509	390650.0243	3927604.176	204364.9438	77326.3991	145013.1502	788366.0678	1430291.302	91963.05141	2654205.52	6879317.56	1974932.598	804760.1086	3730533.268	2448461.423	444269.0538	2914613.216	799713.5355	1837212.225	682024.1799	735517.6123	1250412.802	1888777.612	1038760.797	717797.6307	3628230.883	283792.7024	3626086.223	1101334.307
DUMP	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
N-Acetylneuraminate	92115.15814	137447.5081	108980.0377	309002.0557	293710.9594	120838.025	214669.144	279793.4781	527758.1234	289219.1884	223441.737	327631.6926	103462.994	195408.5303	69948.23166	225930.7029	208558.0613	22029.69523	156091.3239	376372.4085	293084.9733	170452.8209	219357.9148	366884.1017	299412.3489	289539.1073	141168.4998	372747.1409	92677.40337	199558.0217	300225.6075	333733.0153	138406.567	125858.4191	358090.1845	112291.9156	445248.0171	72882.55696
Geranyl Pyrophosphate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
DTMP	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
CMP	72383.62645	72176.93029	69503.01382	57035.97001	66105.35489	58727.63929	51831.28889	61017.94953	62452.5199	51743.37106	67718.08399	70273.48555	58642.40524	62106.48462	71013.8661	67826.7489	71817.9174	67280.99417	34550.59331	37783.44866	53625.16426	82330.82989	32502.57223	60248.58553	81126.81838	52153.32586	46926.01872	74192.62704	77665.0229	68112.68436	62710.54926	69940.27649	80220.34538	80676.61608	50359.34699	72514.94526	70794.27225	52742.71695
F16BP/F26BP/G16BP	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Lactose/Trehalose	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Sucrose	354455.0703	248868.7461	258842.9153	466123.3256	345969.2594	201351.88	253086.9254	198540.722	443141.7638	263749.815	391926.328	271753.9723	306915.6015	256915.2576	226881.8975	207059.0199	721160.6535	81106.95847	465050.604	409245.5213	154487.9821	173421.5064	1124205.043	388503.4839	233384.7486	627792.0829	210429.3316	247875.4346	118476.5802	250297.5177	285197.7461	266574.0723	253433.878	225908.5583	307829.7873	216758.8599	376638.1254	347646.7399
cGMP	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Gibberellin	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
AMP	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
IMP	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
PGE	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Cortisol	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
DCDP	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
PRPP	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Deoxycholic Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Chenodeoxycholate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
UDP	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
beta-Muricholic Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Cholic Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
gamma-Tocopherol	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
ADP	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
alpha-Tocopherol	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
GDP	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Glycochenodeoxycholate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Adenylosuccinate	14280.58729	22474.48938	18186.20473	43189.49109	35764.42611	20704.52269	24708.35557	53622.69702	46865.78323	42664.67434	24179.17705	34886.14826	18297.3854	31287.41691	15317.6823	26352.17294	55686.81179	743.184401	17064.37048	82297.37241	32067.21409	3498.804127	10340.12996	28038.43195	36602.54186	74661.94525	29595.31608	56310.61119	35873.41776	54606.73783	55708.89392	86704.15983	52916.4205	37793.37028	83209.52917	35440.65062	80758.31116	41729.36421
Glycocholate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Cholesteryl Sulfate	247103.5207	142028.5991	530357.1879	762140.4654	361085.7273	190651.6683	380473.532	328205.8534	810598.5216	267629.8234	784432.3179	258553.8026	476987.5808	296218.7077	292289.8057	393469.8685	238941.292	102646.0949	18417.49647	380407.9484	340394.3219	130581.515	26017.42602	325661.8159	314346.3619	305982.8214	303759.0559	203972.4876	143863.023	214776.2166	389633.8103	214905.0493	181645.4895	286275.3369	347376.2224	262064.4152	581509.362	428794.1995
dCTP	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
DUTP	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
TTP	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
CTP	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
DATP	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
ATP	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Phosphoadenosine Phosphosulfate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Tauro-alpha/beta-Muricholic Acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Taurocholate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
GTP	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
UDP-Glucose	606337.7705	473471.7258	621702.107	1810324.604	1458480.705	528703.2087	1007376.443	1014509.615	2086839.791	1438720.917	1055212.522	2164857.37	747463.3552	1038732.289	536694.1433	860213.0607	944582.6708	124267.6119	1907701.526	3085642.854	1503537.751	1009543.138	1358952.193	1909047.312	916513.5595	1776621.396	774045.0352	1229666.862	922514.742	799722.524	1054437.832	1297201.305	1130270.413	840826.8296	1839291.755	708468.453	1920719.271	946585.7043
UDP-GlcNAc	301192.7995	212806.093	302879.1402	645658.5564	538609.7086	222071.352	374544.251	363866.5533	736554.9986	550482.6517	405348.7298	586105.4883	324349.226	416722.3301	253687.718	333594.9338	370875.7627	49159.81154	425956.5827	1002364.929	598321.1298	334261.061	504627.3787	644944.8044	338620.7288	420554.6112	308298.3626	531359.9618	395223.7299	346840.3681	428126.0297	476080.8112	502815.0295	364051.6699	455747.8609	330866.8468	697272.6962	385411.6371
Oxidized Glutathione	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
NADH	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
NADP	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A

metabolite_name	Q1	Q3	RT, min	HMDB ID	KEGG ID	Molecular Formula
Malondialdehyde	71.00	41.00	2.98	HMDB06112	C19440	C3H4O2
Glycolic acid	75.00	47.00	6.09	HMDB00115	C00160	C2H4O3
Pyruvate	87.00	43.00	3.20	HMDB00243	C00022	C3H4O3
Lactate	89.00	43.00	4.72	HMDB00190	C00186	C3H6O3
Glyceraldehyde	89.01	59.00	5.00	HMDB01051	C00577	C3H6O3
3-Hydroxypropionic Acid	89.02	59.00	4.24	HMDB00700	C01013	C3H6O3
3C13-Lactate	92.00	45.00	4.72
isoValeric Acid /3-Oxobutanoate/4-Oxobutanoate	101.00	57.00	2.48	C08262/C00232/C00164	C5H10O2/C4H6O3/C4H6O3	503-74-2/692-29-5/541-50-4
2-Oxobutyrate	101.01	73.00	3.00	HMDB00005	C00109	C4H6O3
gamma-Aminobutyrate	102.00	84.00	7.46	HMDB0000112	C00334	C4H9NO2
Malonic Acid	103.00	41.00	3.24	HMDB00691	C00383	C3H4O4
3HBA	103.01	59.00	3.21	HMDB0000357	C01089	C4H8O3
2-Hydroxyisobutyrate/2-Hydroxybutyrate	103.02	57.00	3.59	HMDB00729	N/A	C4H8O3
Glycerate	105.00	75.00	8.20	HMDB00139	C00258	C3H6O4
4C13-3HBA	107.00	61.00	3.21
Uracil	111.00	42.00	2.10	HMDB00300	C00106	C4H4N2O2
Fumaric Acid	115.00	71.00	7.66	HMDB00134	C00122	C4H4O4
Maleic Acid	115.01	71.00	1.65	HMDB00176	C01384	C4H4O4
N-AcetylGlycine	116.00	74.00	6.00	HMDB00532	N/A	C4H7NO3
Guanidinoacetate	116.01	74.00	7.63	HMDB00128	C00581	C3H7N3O2
2-Hydroxyisovaleric Acid	117.00	71.00	8.92	HMDB00407	N/A	C5H10O3
Succinate	117.01	73.00	5.54	HMDB00254	C00042	C4H6O4
Methylmalonate	117.02	73.00	2.75	HMDB00202	C02170	C4H6O4
3-Hydroxyisovaleric Acid	117.03	59.00	2.63	HMDB00754	C20827	C5H10O3
Erythrose	119.00	71.00	2.41	HMDB02649	C01796	C4H8O4
Threitol	121.00	71.00	3.74	HMDB04136	C16884	C4H10O4
Nicotinic Acid	122.00	78.00	4.96	HMDB01488	C00253	C6H5NO2
Picolinic Acid	122.01	78.00	5.00	HMDB0002243	C10164	C6H5NO2
Thymine	125.00	42.00	1.80	HMDB00262	C00178	C5H6N2O2
Citraconic Acid	129.00	85.00	1.65	HMDB00634	C02226	C5H6O4
2-oxo-Isocaproic Acid	129.01	85.00	7.60	HMDB00695	C00233	C6H10O3
Itaconic Acid	129.02	85.00	3.71	HMDB02092	C00490	C5H6O4
N-Ac-Alanine	130.00	88.00	5.50	HMDB00766	N/A	C5H9NO3
MethylSuccinate	131.00	69.00	3.22	HMDB01844	N/A	C5H8O4
D-Leucic Acid	131.01	85.00	2.44	HMDB00624	C03264	C6H12O3
Glutaric Acid	131.02	87.00	6.03	HMDB00661	C00489	C5H8O4
Oxalacetate	131.03	87.00	8.90	HMDB00223	C00036	C4H4O5
Ethylmalonic acid	131.04	87.00	2.16	HMDB00622	N/A	C5H8O4
N-Carbamoyl-B-Alanine	131.05	88.00	6.07	HMDB00026	C02642	C4H8N2O3
Malate	133.00	115.00	7.73	HMDB00156	C00149	C4H6O5
Adenine	134.00	107.00	3.05	HMDB00034	C00147	C5H5N5
Allopurinol	135.00	64.00	2.31	HMDB14581	D00224	C5H4N4O
Hypoxanthine	135.01	92.00	3.35	HMDB00157	C00262	C5H4N4O
Phenylacetic Acid	135.02	91.00	1.65	HMDB00209	C07086	C8H8O2
Erythronic/Threonic Acid	135.03	75.00	7.30	HMDB00613/HMDB000943	NA/C01620	C4H8O5
Anthranilic Acid	136.00	92.00	1.62	HMDB01123	C00108	C7H7NO2
4-Hydroxybenzoic Acid	137.00	93.00	1.86	HMDB00500	C00156	C7H6O3
Acetylphosphate	139.00	79.00	8.62	HMDB01494	C00227	C2H5O5P
o-Phosphoethanolamine	140.00	79.00	8.94	HMDB0000224	C00346	C2H8NO4P
n-isoButyrylglycine	144.00	74.00	4.25	HMDB00730	N/A	C6H11NO3
Adipic Acid / 3-Methylglutaric Acid	145.00	101.00	4.52	HMDB00448/HMDB00752	C06104/NA	C6H10O4
Alpha-Ketoglutaric Acid	145.01	101.00	7.32	HMDB00208	C00026	C5H6O5
2-Methylglutaric Acid	145.02	101.00	4.53	HMDB00422	N/A	C6H10O4
Mevalonate	147.00	59.00	4.33	HMDB00227	C00418	C6H12O4
2-Hydroxyglutarate	147.01	129.00	7.61	HMDB59655	C02630	C5H8O5
Citramalic Acid	147.02	87.00	7.41	HMDB0000426	C00815	C5H8O5
L-Tartaric Acid	149.00	87.00	9.62	HMDB59916	C00898	C4H6O6
Xylose	149.01	75.00	1.51	HMDB00098	C00181	C5H10O5
alpha-Ketophenylacetic Acid	149.02	77.00	1.64	HMDB0001587	C02137	C8H6O3
Hydrocinnamic Acid	149.01	105.00	1.55	HMDB00764	C05629	C9H10O2
Oxypurinol	151.00	42.00	3.20	HMDB00786	C07599	C5H4N4O2
Xanthine	151.01	108.00	4.17	HMDB00292	C00385	C5H4N4O2
2-Hydroxyphenylacetate	151.02	107.00	1.63	HMDB62635	C01983	C8H8O3
L-Mandelic Acid	151.03	107.00	2.52	HMDB00703	C01984	C8H8O3
Arabitol/Xylitol	151.04	89.00	5.31	HMDB00568	C01904	C5H12O5
3/4-Hydroxyphenylacetic Acid	151.05	107.00	2.11	HMDB0000440/HMDB60390	C05593/C00642	C8H8O3
3-Hydroxyanthranilic Acid	152.00	108.00	1.80	HMDB01476	C00632	C7H7NO3
Dopamine	152.01	122.00	5.59	HMDB00073	C03758	C8H11NO2
2N15-Xanthine	153.00	109.00	4.17
3-Sulfinoanaline	153.01	88.00	8.61	HMDB0000996	C00606	C3H7NO4S
2,3-Dihydroxybenzoic Acid	153.02	109.00	1.68	HMDB00397	C00196	C7H6O4
Gentisate	153.03	108.00	2.06	HMDB00152	C00628	C7H6O4
Orotate	155.00	111.00	5.93	HMDB00226	C00295	C5H4N2O4
Allantoin	157.00	114.00	4.18	HMDB00462	C01551	C4H6N4O3
n-isoValerylglycine	158.00	74.00	3.73	HMDB00678	N/A	C7H13NO3
2-Aminoadipate	160.00	116.00	8.52	HMDB00510	C00956	C4H6N4O3
Indole-3-Carboxylic Acid	160.01	116.00	1.53	HMDB03320	C19837	C9H7NO2
Indole-2-Carboxylic Acid	160.02	116.00	1.68	HMDB02285	N/A	C9H7NO2
3-Methyl-3-Hydroxyglutaric Acid	161.00	99.00	6.01	HMDB0000355	C03761	C6H10O5
PPA	163.00	91.00	1.64	HMDB00205	C00166	C9H8O3
3-Hydroxycinnaminic Acid	163.01	119.00	1.90	HMDB02035	C00811	C9H8O3
p-Coumaric Acid	163.02	119.00	1.65	HMDB01713	C12621	C9H8O3
Xylonate	165.00	75.00	8.50	HMDB60256	C05411	C5H10O6
Phenyllactic Acid	165.01	147.00	2.35	HMDB0000779	C05607	C8H8O2
3-(4-Hydroxyphenyl)Propionate	165.02	121.00	1.64	HMDB02199	C01744	C9H10O3
Quinolinic Acid	166.00	122.00	9.30	HMDB0000232	C03722	C7H5NO4
PEP	167.00	79.00	9.75	HMDB00263	C00074	C3H5O6P
Homogentisate	167.01	123.00	2.50	HMDB00130	C00544	C8H8O4
Urate	167.02	124.00	7.35	HMDB00289	C00366	C5H4N4O3
DHAP/D-GA3P	169.00	97.00	8.13	HMDB01473	C00111	C3H7O6P
2N15-Urate	169.02	125.00	7.35
Glycerol-3-P	171.00	79.00	7.96	HMDB00126	C00093	C3H9O6P
trans-Aconitate	173.00	85.00	7.60	HMDB00958	C02341	C6H6O6
Shikimic Acid	173.01	93.00	7.04	HMDB03070	C00493	C7H10O5
cis-Aconitate	173.02	85.00	6.10	HMDB00072	C00417	C6H6O6
Suberic Acid	173.03	111.00	2.66	HMDB00893	C08278	C8H14O4
Indole-3-Acetic Acid	174.00	130.00	1.63	HMDB00197	C00954	C10H9NO2
Citrulline	174.01	131.00	8.20	HMDB00904	C00327	C6H13N3O3
N-Acetyl-Aspartate (NAA)	174.02	88.00	7.40	HMDB00812	C01042	C6H9NO5
Ascorbic Acid (Vit. C)	175.00	87.00	6.72	HMDB00044	C00072	C6H8O6
2-isoPropylmalic Acid	175.01	115.00	2.50	HMDB00402	C02504	C7H12O5
1C13-Citrulline	175.02	131.00	8.20
3-isoPropylmalic Acid	175.03	73.00	4.59	HMDB12156	C04411	C7H12O5
n-Formylmethionine	176.00	47.00	4.07	HMDB01015	C03145	C6H11NO3S
Hippuric Acid	178.00	134.00	3.70	HMDB00714	C01586	C9H9NO3
Inositol	179.00	87.00	8.27	HMDB00211	C00137	C6H12O6
Glucose	179.01	89.00	6.75	HMDB00122	C00031	C6H12O6
Mannose	179.02	89.00	6.08	HMDB00169	C00159	C6H12O6
Fructose	179.03	89.00	5.87	HMDB00660	C00095	C6H12O6
OH-Phenylpyruvate	179.04	107.00	2.50	HMDB00707	C01179	C9H8O4
Theophylline	179.05	164.00	1.63	HMDB01889	C07130	C7H8N4O2
Sorbitol	181.00	89.00	6.23	HMDB00247	C00794	C6H14O6
Homovanilate	181.01	137.00	2.03	HMDB00118	C05582	C9H10O4
Mannitol	181.02	119.00	6.33	HMDB00765	C00392	C6H14O6
4-Pyridoxic Acid	182.00	138.00	1.63	HMDB00017	C00847	C8H9NO4
Phosphoserine	184.00	79.00	10.19	HMDB00272	C01005	C3H8NO6P
6C13-Glucose	185.00	92.00	6.75
2/3-Phosphoglyceric Acid	185.01	79.00	9.42	HMDB0000362	C00197/C00597	C3H7O7P
Azelaic Acid	187.00	125.00	2.21	HMDB00784	C08261	C9H16O4
N-Ac-L-Glutamine	187.01	58.00	6.83	HMDB06029	N/A	C7H12N2O4
Kynurenic Acid	188.00	144.00	4.46	HMDB0000715	C01717	C10H7NO3
N-Ac-Glutamate	188.01	128.10	7.71	HMDB01138	C00624	C7H11NO5
Indole-3-Propionate	188.02	59.00	1.57	HMDB02302	N/A	C11H11NO2
5-Hydroxyl-Indole-3-Acetic Acid	190.00	144.00	3.00	HMDB00763	C05635	C10H9NO3
N-Ac-Methionine	190.01	148.00	3.81	HMDB11745	C02712	C7H13NO3S
Citric Acid	191.00	112.00	10.51	HMDB00094	C00158	C6H8O7
Glucoronate	193.00	73.00	8.75	HMDB00127	C00191	C6H10O7
4-Hydroxy-3-Nitrophenylacetate	196.00	122.00	1.69	HMDB62403	N/A	C8H7NO5
Vanilmandelic Acid	197.00	137.00	3.74	HMDB00291	C05584	C9H10O5
Erythrose-4-Phosphate	199.00	97.00	8.53	HMDB01321	C00279	C4H9O7P
Cysteine-S-Sulfate	200.00	136.00	7.19	HMDB00731	C05824	C3H7NO5S2
IndolePyruvate	202.00	174.00	1.60	HMDB60484	C00331	C11H9NO3
Xanthurenic Acid	204.00	160.00	5.03	HMDB00881	C02470	C10H7NO4
Indole-3-Lactate	204.01	158.00	2.80	HMDB00671	C02043	C11H11NO3
N-Ac-Phenylalanine	206.00	164.00	3.17	HMDB00512	C03519	C11H13NO3
3-Indoxyl Sulfate	212.00	80.00	1.52	HMDB00682	N/A	C8H7NO4S
Pentothenate	218.00	88.00	4.74	HMDB00210	C00864	C9H17NO5
Cystathionine	221.00	134.00	10.32	HMDB00099	C02291	C7H14N2O4S
N-Ac-Tyrosine	222.00	180.00	4.85	HMDB00866	C01657	C11H13NO4 
4C13-Pentothenate	222.01	92.00	4.74
Myristic Acid	227.20	209.10	1.51	HMDB0000806	C06424	C14H28O2
Ribose-5-P	229.10	79.00	8.74	HMDB01548	C00117	C5H11O8P
Ribulose 5-Phosphate	229.20	97.00	8.42	HMDB00618	C00199	C5H11O8P
Melatonin	231.10	172.00	1.51	HMDB01389	C01598	C13H16N2O2
Tetrahydrobiopterin	240.10	59.00	1.52	HMDB00027	C00272	C9H15N5O3
Thymidine	241.10	42.00	2.00	HMDB00273	C00214	C10H14N2O5
Pseudouridine	243.10	153.00	5.61	HMDB00767	C02067	C9H12N2O6
Biotin	243.20	200.00	3.20	HMDB00030	C00120	C10H16N2O3S
N-Ac-Tryptophan	245.10	203.00	3.53	HMDB13713	N/A	C13H14N2O3
Pyridoxal-5-P	246.10	97.00	7.06	HMDB01491	C00018	C8H10NO6P
Palmitic Acid	255.10	237.00	1.50	HMDB0000220	C00249	C16H32O2
5-Methyluridine	257.10	42.00	2.96	HMDB00884	N/A	C10H14N2O6
5-Hydroxymethyl-2'-Deoxyuridine	257.20	214.00	3.60	N/A	N/A	C10H14N2O6
Glucosamine-6-Phosphate	258.10	97.00	11.40	HMDB0001254	C00352	C6H14NO8P
G6P	259.10	97.00	9.96	HMDB0001401	C00092	C6H13O9P
G1P/F1P/F6P	259.20	97.00	9.30	HMDB01586/HMDB01076/HMDB00124	C01094/C00085/C00103	C6H13O9P
Phenylacetylglutamine	263.10	145.00	5.22	HMDB06344	C04148	C13H16N2O4
MOPEG Sulfate	263.20	150.00	2.02	HMDB00559	N/A	C9H12O7S
Margaric Acid	269.10	251.10	1.25	HMDB02259	N/A	C17H34O2
6-Phosphogluconic Acid	275.10	97.00	12.58	HMDB0001316	C00345	C6H13O10P
Linolenic Acid	277.10	259.10	1.50	HMDB01388	C06427	C18H30O2
Linoleic Acid	279.10	261.10	1.50	HMDB00673	C01595	C18H32O2
Xanthosine	283.10	151.00	6.12	HMDB00299	C01762	C10H12N4O6
Sedoheptulose 7-Phosphate	289.10	97.00	9.50	HMDB01068	C05382	C7H15O10P
Retinoic Acid	299.10	255.00	1.50	HMDB01852	C00777	C20H28O2
N-Acetyl-Aspartyl-Glutamate (NAAG)	303.10	285.00	8.65	HMDB01067	C12270	C11H16N2O8
Arachidonate	303.20	259.00	1.50	HMDB60102	C00219	C20H32O2
DCMP	306.10	110.00	8.57	HMDB01202	C00239	C9H14N3O7P
Reduced Glutathione	306.10	143.10	8.79	HMDB00125	C00051	C10H17N3O6S
DUMP	307.10	195.00	7.94	HMDB01409	C00365	C9H13N2O8P
N-Acetylneuraminate	308.10	87.00	8.24	HMDB00230	C00270	C11H19NO9
Geranyl Pyrophosphate	313.10	79.00	6.85	HMDB01285	C00341	C10H20O7P2
DTMP	321.10	79.00	7.71	HMDB01227	C00364	C10H15N2O8P
CMP	322.10	97.00	9.05	HMDB00095	C00055	C9H14N3O8P
F16BP/F26BP/G16BP	339.10	79.00	12.80	HMDB01058/HMDB01047/HMDB03514	C00665/C00354/C01231	C6H14O12P2
Lactose/Trehalose	341.10	161.00	8.28	HMDB00186	C00243	C12H22O11
Sucrose	341.20	59.00	7.77	HMDB00258	C00089	C12H22O11
cGMP	344.00	150.00	7.51	HMDB01314	C00942	C10H12N5O7P
Gibberellin	345.20	143.00	2.90	HMDB03559	C01699	C19H22O6
AMP	346.20	79.00	8.30	HMDB00045	C00020	C10H14N5O7P
IMP	347.20	79.00	8.65	HMDB00175	C00130	C10H13N4O8P
PGE	351.20	315.10	1.54	HMDB0001220	C00584	C20H32O5
Cortisol	361.20	331.00	1.52	HMDB0000063	C00735	C21H30O5
DCDP	386.20	159.00	10.66	HMDB01245	C00705	C9H15N3O10P2
PRPP	389.20	177.00	10.50	HMDB00280	C00119	C5H13O14P3
Deoxycholic Acid	391.10	343.00	1.60	HMDB00626	C04483	C24H40O4
Chenodeoxycholate	391.20	373.00	1.60	HMDB00518	C02528	C24H40O4
UDP	403.20	79.00	8.46	HMDB00295	C00015	C9H14N2O12P2
beta-Muricholic Acid	407.20	371.00	1.63	HMDB00865	C17726	C24H40O5
Cholic Acid	407.30	343.00	1.63	HMDB00619	C00695	C24H40O5
gamma-Tocopherol	415.20	149.00	1.50	HMDB01492	C02483	C28H48O2
ADP	426.20	134.00	10.27	HMDB01341	C00008	C10H15N5O10P2
alpha-Tocopherol	429.20	163.00	1.50	HMDB01893	C02477	C29H50O2
GDP	442.20	159.00	10.50	HMDB01201	C00035	C10H15N5O11P2
Glycochenodeoxycholate	448.30	74.00	4.45	HMDB00637	C05466	C26H43NO5
Adenylosuccinate	462.10	79.00	1.63	HMDB00536	C03794	C14H18N5O11P
Glycocholate	464.30	74.00	5.76	HMDB00138	C01921	C26H43NO6
Cholesteryl Sulfate	465.20	97.00	1.50	HMDB00653	C18043	C27H46O4S
dCTP	466.20	79.00	13.47	HMDB0000998	C00458	C9H16N3O13P3
DUTP	467.20	159.00	13.07	HMDB01191	C00460	C9H16N3O13P3
TTP	481.20	159.00	11.00	HMDB0001342	C00459	C10H17N2O14P3
CTP	482.20	159.00	11.12	HMDB00082	C00063	C9H16N3O14P3
DATP	490.20	159.00	13.40	HMDB0001532	C00131	C10H16N5O12P3
ATP	506.10	79.00	13.31	HMDB00538	C00002	C10H16N5O13P3
Phosphoadenosine Phosphosulfate	506.20	426.00	9.50	HMDB01134	C00053	C10H15N5O13P2S
Tauro-alpha/beta-Muricholic Acid	514.20	80.00	3.50	HMDB00932	N/A	C26H45NO7S
Taurocholate	514.50	80.00	5.20	HMDB00036	C05122	C26H45NO7S
GTP	522.20	159.00	13.89	HMDB01273	C00044	C10H16N5O14P3
UDP-Glucose	565.20	323.00	11.12	HMDB00286	C00029	C15H24N2O17P2
UDP-GlcNAc	606.20	385.00	11.40	HMDB00290	C00043	C17H27N3O17P2
Oxidized Glutathione	611.20	306.00	13.40	HMDB03337	C00127	C17H27N3O17P2
NADH	664.20	79.00	9.20	HMDB01487	C00004	C21H29N7O14P2
NADP	743.20	620.50	12.58	HMDB00217	C00006	C21H29N7O17P3