metabolite_name	Poo_HOT-LAVA-QC_1	Poo_HOT-LAVA-QC_2	Poo_HOT-LAVA-QC_3	Poo_TruePoo_DDApos20	Poo_TruePoo_DDApos35	Poo_TruePoo_DDApos50	Poo_TruePoo_Full1	Poo_TruePoo_Full2	Poo_TruePoo_Full3	Poo_TruePoo_Half1	Poo_TruePoo_Half2	Poo_TruePoo_Half3	Smp_KM1513Poo7-26_1	Smp_S2C2D5_A	Smp_S2C2D5_B	Smp_S2C2D5_C	Smp_S3TF_A	Smp_S4C2D5_A	Smp_S4C2D5_B	Smp_S4C2D5_C	Smp_S515mMS_A	Smp_S515mMS_B	Smp_S515mMS_C	Smp_S5C1D5_A	Smp_S5C1D5_B	Smp_S6C3D5_A	Smp_S6C3D5_B	Smp_S6C3D5_C	Blk_MQBlk_1
Phenylalanine	10825464.72	11634311.86	12255146.76	14109145.96	13433296.33	13529949.3	13683267.8	13888825.75	13666292.97	12905420.57	12864986.46	12908056.54	25498350.29	8904634.411	8591266.448	13620837.78	13886477.6	11052629.1	16284846.05	11323110.73	7652359.853	18960872.91	10997814.21	10805589.3	20702841.39	15059085.73	7359819.13	6956409.343	2258858.155
Vitamin B3	4398078.608	6632604.156	6991003.383	4594392.731	4758521.287	4709788.684	4634509.124	6535609.664	6392980.118	NA	NA	NA	156886137808	3029162.92	3551500.471	3641971.44	5313747.855	3037229.042	4159817.824	4027403.727	4285404.998	6458139.118	5389101.149	NA	NA	4862686.496	NA	NA	866871.7006
Tyrosine	8960743.177	10166664.51	10758253.57	9350747.03	9330103.832	9440061.45	8919838.658	9299433.746	9608010.228	10067083.85	10820729.56	10820548.88	70382660.37	11522151.87	10693045.16	16452570.26	7141733.83	6947626.214	11169250.49	17499193.05	6883391.689	9182920.427	8822762.213	9333986.035	7507395.738	5362752.314	3909864.715	4620251.115	819664.0594
Isobutyryl-L-carnitine	552651	557678	353764	695432	667864	659695	655259	573653	600237	789478	653022	585690	530228	762217	578166	785311	436807	508678	633988	972637	230963	835536	411005	472831	1129986	421152	223285	245616	85232
Methylthioadenosine	1247073	807670	654617	987020	939074	806721	1142143	709801	772232	1364408	859952	943240	1592767	194800	327977	305660	626750	525247	563228	553418	1037711	1665284	1277422	265746	535196	437629	313823	238369	5461
Propionyl-L-carnitine	1343975	1391397	960291	2373019	2252879	2360163	2281114	1916436	2010506	2246682	2234672	2121038	1322250	1409331	3772785	2215618	1320704	1565469	1697152	3930929	577655	2092949	1155229	2514498	2772100	3102397	1262666	1141333	43274

metabolite_name	mz	RT_minute	Empirical_Formula	PubChem_Formula	PubChem_Code	KEGG_Code
Isobutyryl-L-carnitine	232.154884	1.3	C11H21NO4	NA	NA	NA
Phenylalanine	166.086804	1.15	C9H11NO2	NA	NA	cpd:C00079
Tyrosine	182.081719	1.01	C9H11NO3	NA	NA	cpd:C00082
Methylthioadenosine	298.097387	2.1	C11H15N5O3S	NA	NA	cpd:C00170
Vitamin B3	124.039854	0.88	C6H5NO2	C6H5NO2	938	cpd:C00253
Propionyl-L-carnitine	218.139234	0.99	C10H19NO4	NA	NA	cpd:C03017