metabolite_name	170706_Blk_Blk0p2_1.mzML	170706_Blk_Blk0p2_2.mzML	180821_Poo_Day1and2Poo_Full1.mzML	180821_Poo_Day1and2Poo_Full2.mzML	180821_Poo_Day1and2Poo_Full3.mzML	180821_Poo_Day1and2Poo_Full4.mzML	180821_Poo_Day1and2Poo_Full5.mzML	180821_Poo_Day1and2Poo_Full6.mzML	180821_Poo_Day1and2Poo_Half1.mzML	180821_Poo_Day1and2Poo_Half2.mzML	180821_Poo_Day1and2Poo_Half3.mzML	180821_Poo_Day1and2Poo_Half4.mzML	180821_Poo_Day1and2Poo_Half5.mzML	180821_Poo_Day1and2Poo_Half6.mzML	180821_Smp_MS4C1DCM_A.mzML	180821_Smp_MS4C1DCM_B.mzML	180821_Smp_MS4C1DCM_C.mzML	180821_Smp_MS4C115m_A.mzML	180821_Smp_MS4C115m_B.mzML	180821_Smp_MS4C115m_C.mzML	180821_Smp_MS4C1175m_A.mzML	180821_Smp_MS4C1175m_B.mzML	180821_Smp_MS4C1175m_C.mzML	180821_Smp_MS5C1DCM_A.mzML	180821_Smp_MS5C1DCM_B.mzML	180821_Smp_MS5C1DCM_C.mzML	180821_Smp_MS5C115m_A.mzML	180821_Smp_MS5C115m_B.mzML	180821_Smp_MS5C115m_C.mzML	180821_Smp_MS5C1175m_A.mzML	180821_Smp_MS5C1175m_B.mzML	180821_Smp_MS5C1175m_C.mzML	180821_Smp_MS6C3DCM_A.mzML	180821_Smp_MS6C3DCM_B.mzML	180821_Smp_MS6C3DCM_C.mzML	180821_Smp_MS6C315m_A.mzML	180821_Smp_MS6C315m_B.mzML	180821_Smp_MS6C315m_C.mzML	180821_Smp_MS6C3175m_A.mzML	180821_Smp_MS6C3175m_B.mzML	180821_Smp_MS6C3175m_C.mzML	180821_Smp_MS7C1DCM_A.mzML	180821_Smp_MS7C1DCM_B.mzML	180821_Smp_MS7C1DCM_C.mzML	180821_Smp_MS7C115m_A.mzML	180821_Smp_MS7C115m_B.mzML	180821_Smp_MS7C115m_C.mzML	180821_Smp_MS7C1175m_A.mzML	180821_Smp_MS7C1175m_B.mzML	180821_Smp_MS7C1175m_C.mzML	180821_Smp_MS8C1DCM_A.mzML	180821_Smp_MS8C1DCM_B.mzML	180821_Smp_MS8C1DCM_C.mzML	180821_Smp_MS8C115m_A.mzML	180821_Smp_MS8C115m_B.mzML	180821_Smp_MS8C115m_C.mzML	180821_Smp_MS8C1175m_A.mzML	180821_Smp_MS8C1175m_B.mzML	180821_Smp_MS8C1175m_C.mzML	180821_Smp_MS9C2DCM_A.mzML	180821_Smp_MS9C2DCM_B.mzML	180821_Smp_MS9C2DCM_C.mzML	180821_Smp_MS9C215m_A.mzML	180821_Smp_MS9C215m_B.mzML	180821_Smp_MS9C215m_C.mzML	180821_Smp_MS9C2175m_A.mzML	180821_Smp_MS9C2175m_B.mzML	180821_Smp_MS9C2175m_C.mzML	180821_Smp_MS10C2DCM_A.mzML	180821_Smp_MS10C2DCM_B.mzML	180821_Smp_MS10C2DCM_C.mzML	180821_Smp_MS10C215m_A.mzML	180821_Smp_MS10C215m_B.mzML	180821_Smp_MS10C215m_C.mzML	180821_Smp_MS10C2175m_A.mzML	180821_Smp_MS10C2175m_B.mzML	180821_Smp_MS10C2175m_C.mzML	180821_Smp_MS11C2DCM_A.mzML	180821_Smp_MS11C2DCM_B.mzML	180821_Smp_MS11C2DCM_C.mzML	180821_Smp_MS11C215m_A.mzML	180821_Smp_MS11C215m_B.mzML	180821_Smp_MS11C215m_C.mzML	180821_Smp_MS11C2175m_A.mzML	180821_Smp_MS11C2175m_B.mzML	180821_Smp_MS11C2175m_C.mzML	180821_Smp_MS12C1DCM_A.mzML	180821_Smp_MS12C1DCM_B.mzML	180821_Smp_MS12C1DCM_C.mzML	180821_Smp_MS12C115m_A.mzML	180821_Smp_MS12C115m_B.mzML	180821_Smp_MS12C115m_C.mzML	180821_Smp_MS12C1175m_A.mzML	180821_Smp_MS12C1175m_B.mzML	180821_Smp_MS12C1175m_C.mzML	180821_Smp_MS13C2DCM_A.mzML	180821_Smp_MS13C2DCM_B.mzML	180821_Smp_MS13C2DCM_C.mzML	180821_Smp_MS13C315m_A.mzML	180821_Smp_MS13C315m_B.mzML	180821_Smp_MS13C315m_C.mzML	180821_Smp_MS13C2175m_A.mzML	180821_Smp_MS13C2175m_B.mzML	180821_Smp_MS13C2175m_C.mzML	180821_Smp_MS14C2DCM_A.mzML	180821_Smp_MS14C2DCM_B.mzML	180821_Smp_MS14C2DCM_C.mzML	180821_Smp_MS14C215m_A.mzML	180821_Smp_MS14C215m_B.mzML	180821_Smp_MS14C215m_C.mzML	180821_Smp_MS14C2175m_A.mzML	180821_Smp_MS14C2175m_B.mzML	180821_Smp_MS14C2175m_C.mzML	180821_Std_4uMStdsMix1InH2O_1.mzML	180821_Std_4uMStdsMix1InH2O_2.mzML	180821_Std_4uMStdsMix1InH2O_3.mzML	180821_Std_4uMStdsMix1InMatrix_1.mzML	180821_Std_4uMStdsMix1InMatrix_2.mzML	180821_Std_4uMStdsMix1InMatrix_3.mzML	180821_Std_4uMStdsMix2InH2O_1.mzML	180821_Std_4uMStdsMix2InH2O_2.mzML	180821_Std_4uMStdsMix2InH2O_3.mzML	180821_Std_4uMStdsMix2InMatrix_1.mzML	180821_Std_4uMStdsMix2InMatrix_2.mzML	180821_Std_4uMStdsMix2InMatrix_3.mzML	180821_Std_H2OInMatrix_1.mzML	180821_Std_H2OInMatrix_2.mzML	180821_Std_H2OInMatrix_3.mzML	180205_Std_4uMStdsInH2O_1.mzML	180205_Std_4uMStdsInH2O_2.mzML	180205_Std_4uMStdsInMatrix_1.mzML	180205_Std_4uMStdsInMatrix_2.mzML	180205_Poo_TruePoo_Full1.mzML	180205_Poo_TruePoo_Full2.mzML	180205_Poo_TruePoo_Full3.mzML	180205_Poo_TruePoo_Half1.mzML	180205_Poo_TruePoo_Half2.mzML	180205_Poo_TruePoo_Half3.mzML	180205_Smp_L1C32DCMless10m_A.mzML	180205_Smp_L1C32DCMless10m_B.mzML	180205_Smp_L1C32DCMless10m_C.mzML	180205_Smp_L1C32DCMless20m_A.mzML	180205_Smp_L1C32DCMless20m_B.mzML	180205_Smp_L1C32DCMless20m_C.mzML	180205_Smp_L1C33DCM_A.mzML	180205_Smp_L1C33DCM_B.mzML	180205_Smp_L1C33DCM_C.mzML	180205_Smp_L1C33DCMplus10m_A.mzML	180205_Smp_L1C33DCMplus10m_B.mzML	180205_Smp_L1C33DCMplus10m_C.mzML	180205_Smp_L1C33DCMplus20m_A.mzML	180205_Smp_L1C33DCMplus20m_B.mzML	180205_Smp_L1C33DCMplus20m_C.mzML	180205_Smp_L2C1DCMless10m_A.mzML	180205_Smp_L2C1DCMless10m_B.mzML	180205_Smp_L2C1DCMless10m_C.mzML	180205_Smp_L2C1DCMless20m_A.mzML	180205_Smp_L2C1DCMless20m_B.mzML	180205_Smp_L2C1DCMless20m_C.mzML	180205_Smp_L2C2DCM_A.mzML	180205_Smp_L2C2DCM_B.mzML	180205_Smp_L2C2DCM_C.mzML	180205_Smp_L2C2DCMplus10m_A.mzML	180205_Smp_L2C2DCMplus10m_B.mzML	180205_Smp_L2C2DCMplus10m_C.mzML	180205_Smp_L2C2DCMplus20m_A.mzML	180205_Smp_L2C2DCMplus20m_B.mzML	180205_Smp_L2C2DCMplus20m_C.mzML
(2R)-3-sulfopropanediol	NA	NA	0.07245	0.02998	0.03861	0.03971	0.06023	0.07218	0.0749	0.02127	0.02646	0.02903	0.046	0.06305	0.06437	0.07172	0.05252	0.02599	0.04587	0.02228	0.003317	0.002002	0.001508	0.09046	0.1151	0.1226	0.01444	0.01377	0.01379	0.01894	0.00758	0.02515	0.02657	0.02493	0.08036	0.01248	0.01924	0.01236	0.006813	0.007097	0.01268	0.04682	0.02347	0.1044	0.02146	0.042	0.02372	0.005701	0.005598	0.004022	0.07319	0.05884	0.06835	0.02137	0.0121	0.03923	0.008864	0.005341	0.01114	0.1012	0.05093	0.1334	0.01841	0.02932	0.007749	0.007587	0.003393	0.001833	0.08717	0.08671	0.1514	0.01173	0.03293	0.02174	0.00558	0.0057	0.002578	0.09618	0.04868	0.2539	0.02713	0.0226	0.01406	0.002689	0.002599	0.003547	0.1762	0.2753	0.3835	0.04651	0.04015	0.05484	0.0003153	0.001901	0.0004219	0.09363	0.08504	0.1023	0.01583	0.00542	0.01683	0.006401	0.003184	0.004066	0.07041	0.0805	0.1346	0.03615	0.02754	0.01781	0.005787	0.01478	0.006781	NA	NA	NA	0.0741	0.0644	0.05491	NA	NA	NA	0.3185	0.2993	0.2383	0.06681	0.05896	0.05881	NA	NA	6.83	NA	0.0928	0.07179	0.1235	0.1054	0.07899	0.09524	0.1874	0.07932	0.07652	0.09427	0.05929	0.08923	0.0867	0.1511	0.1318	0.2853	0.1431	0.2077	0.1166	0.09522	0.213	0.03366	0.04914	0.04986	0.04256	0.02039	0.0364	0.05154	0.06827	0.0659	0.106	0.03703	0.08308	0.07585	0.04124	0.02747
Pyroglutamic acid	0.005019	0.01618	0.06431	0.06619	0.06818	0.08799	0.06466	0.06272	0.08209	0.07597	0.07989	0.1135	0.08699	0.07854	0.07245	0.1572	0.0828	0.02754	0.07079	0.03873	0.0174	0.01699	0.0592	0.06406	0.1294	0.08346	0.06801	0.09211	0.08595	0.04045	0.03183	0.01951	0.03338	0.06791	0.05832	0.06961	0.1036	0.09391	0.02165	0.03589	0.02837	0.04742	0.06151	0.06614	0.057	0.03783	0.08391	0.02264	0.02646	0.03468	0.04847	0.05974	0.08382	0.0715	0.04853	0.04807	0.0229	0.00758	0.02888	0.03346	0.06682	0.04895	0.05441	0.03614	0.04462	0.02022	0.01609	0.02903	0.06508	0.1038	0.1044	0.03505	0.04691	0.08136	0.01254	0.01469	0.02027	0.05615	0.08959	0.1211	0.08889	0.06739	0.07221	0.01495	0.01454	0.02012	0.2206	0.2927	0.2795	0.04146	0.07014	0.08469	0.02192	0.01407	0.01917	0.07797	0.1056	0.08803	0.04907	0.0682	0.05764	0.02077	0.01536	0.01366	0.04355	0.04483	0.05392	0.05721	0.09417	0.1158	0.0206	0.01258	0.02787	NA	NA	NA	0.2713	0.2747	0.3103	NA	NA	NA	0.07251	0.09635	0.05053	0.05716	0.06004	0.05679	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
AMP	NA	NA	0.03272	0.01391	0.01669	0.02159	0.03357	0.04226	0.02682	0.007759	0.003049	0.005575	0.01685	0.0372	0.02576	0.02813	0.02282	0.01305	0.04293	0.01197	0.0009746	0	0.005529	0.01568	0.02375	0.05741	0.01358	0.03916	0.01554	0.004367	0	0.002782	0.01281	0.01628	0.03602	0.02627	0.2108	0.01798	0.004488	0.004802	0.001345	0.0126	0.01545	0.03141	0.0154	0.01996	0.05591	0.007762	0.002085	0.0005959	0.05068	0.02376	0.0223	0.01339	0.01688	0.05702	0.001797	0.001273	0.006186	0.03563	0.02072	0.06172	0.01353	0.04591	0.01218	0.00177	0	0.0001411	0.04012	0.1022	0.0567	0.0132	0.04331	0.02234	0	0	0	0.02554	0.1805	0.0574	0.07022	0.0228	0.02687	0.001307	0	0.0006348	0.05826	0.0845	0.09119	0.06251	0.1077	0.04516	0.00612	0	0	0.03102	0.03	0.02369	0.02192	0.01012	0.04252	0.002184	0.0006541	0.0007769	0.02187	0.04139	0.05856	0.06347	0.02772	0.05047	0.0006972	0.002077	0.001124	0	0	0	0.04069	0.03509	0.06396	0.2701	0.2936	0.4767	0.277	0.3288	0.4806	0.03913	0.0319	0.0554	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
2-Hydroxyethanesulfonate	NA	NA	0.06271	0.06374	0.06316	0.06063	0.06164	0.06168	0.0618	0.06328	0.06369	0.06375	0.06029	0.06165	0.1223	0.1766	0.1111	0.03705	0.07247	0.04428	0.01521	0.01122	0.02681	0.04879	0.06214	0.08889	0.03719	0.03674	0.0317	0.02843	0.007023	0.01891	0.05158	0.07038	0.05804	0.05808	0.06343	0.03287	0.01511	0.01469	0.01121	0.04125	0.03443	0.07141	0.04866	0.03733	0.05068	0.0112	0.01058	0.01147	0.07216	0.05321	0.1178	0.04148	0.04434	0.0623	0.01972	0.01057	0.03786	0.06542	0.09256	0.08651	0.04827	0.04034	0.03797	0.01224	0.01035	0.01421	0.07014	0.09905	0.09486	0.07401	0.055	0.04476	0.01079	0.008507	0.01019	0.07213	0.104	0.125	0.03163	0.05997	0.05265	0.00607	0.01285	0.01116	0.297	0.2818	0.2954	0.07627	0.0907	0.08073	0.0139	0.006769	0.005899	0.1118	0.1126	0.1041	0.03262	0.03922	0.03466	0.03126	0.02793	0.008273	0.06365	0.05018	0.06988	0.06566	0.05922	0.04256	0.01065	0.0101	0.02022	NA	NA	NA	0.05989	0.06183	0.06065	5.85	3.686	3.772	0.3855	0.3782	0.3929	0.06342	0.06115	0.06224	NA	NA	7.059	12.01	0.08494	0.08386	0.08258	0.07956	0.1126	0.07831	0.1181	0.1217	0.111	0.1173	0.1427	0.1631	0.1314	0.1668	0.1052	0.18	0.1671	0.1863	0.1538	0.1141	0.1101	0.03026	0.03516	0.0313	0.03174	0.02991	0.02578	0.03945	0.08694	0.04421	0.03642	0.04114	0.0488	0.02587	0.04863	0.02729
Malic acid	0.01739	0.02141	0.02234	0.01305	0.02082	0.02772	0.03535	0.037	0.02766	0.01529	0.02388	0.02486	0.01844	0.02349	0.01806	0.0616	0.01894	0.01743	0.05456	0.03682	0.009506	0.007731	0.01147	0.04219	0.04326	0.025	0.03559	0.01843	0.01944	0.01031	0.01239	0.01851	0.00988	0.01421	0.0397	0.02078	0.03682	0.02623	0.02184	0.01972	0.01194	0.02031	0.02172	0.05217	0.02913	0.01919	0.02205	0.01277	0.008893	0.008368	0.03357	0.02725	0.02341	0.02568	0.01597	0.04687	0.01117	0.00668	0.01615	0.02581	0.0154	0.03075	0.02378	0.03548	0.01525	0.02476	0.006152	0.007839	0.02711	0.02437	0.03434	0.0146	0.03765	0.03289	0.01282	0.009757	0.008578	0.04073	0.01549	0.04021	0.01463	0.01739	0.01672	0.02653	0.005317	0.01067	0.02352	0.03847	0.06851	0.02738	0.0344	0.04198	0.008571	0.01289	0.009613	0.01755	0.02314	0.02209	0.04896	0.01846	0.04098	0.006918	0.00814	0.008787	0.019	0.01746	0.01646	0.03439	0.03199	0.02687	0.009249	0.01383	0.007844	4.66	3.95	5.685	0.1017	0.2904	0.2796	104.1	4.744	4.252	0.01905	0.04275	0.04065	0.01951	0.05342	0.04238	11.71	16.89	2.792	3.667	0.06481	0.04713	0.103	0.08038	0.04292	0.06569	0.07445	0.07859	0.1092	0.08758	0.08925	0.1676	0.07327	0.08141	0.1261	0.07262	0.08765	0.1127	0.05852	0.05241	0.08324	0.04187	0.06216	0.08414	0.06096	0.08172	0.07468	0.05264	0.091	0.09021	0.05706	0.04936	0.07416	0.05409	0.06812	0.04058
Sucrose	0.003422	0.01073	0.1054	0.0958	0.1035	0.1049	0.108	0.1073	0.09928	0.09715	0.0992	0.0991	0.1169	0.1115	0.1811	0.2384	0.1259	0.1474	0.1722	0.139	0.002972	0.005037	0.004142	0.1282	0.1503	0.1185	0.04982	0.07967	0.06987	0.006501	0.005957	0.02101	0.1372	0.1381	0.1641	0.2265	0.2476	0.2175	0.001417	0.002933	0.009235	0.2133	0.1454	0.2896	0.181	0.1862	0.1814	0.0009531	0.00677	0.01054	0.009562	0.01382	0.03127	0.0342	0.03959	0.05213	0.006552	0.001567	0.002452	0.1212	0.1458	0.1661	0.08892	0.1118	0.08889	0.004915	0.0009633	0.007837	0.2009	0.2585	0.2788	0.2366	0.2491	0.2161	0.002003	0.001441	0.002195	0.2227	0.236	0.4006	0.2207	0.2021	0.161	0.001954	0	0.001656	0.07039	0.0654	0.1025	0.09697	0.08572	0.1121	0.01194	0	0	0.1847	0.1512	0.2007	0.1494	0.1719	0.1391	0.008906	0.003027	0.004053	0.387	0.295	0.3678	0.2816	0.3482	0.3004	0.006742	0.008176	0.004357	NA	NA	NA	0.3609	0.4267	0.3979	NA	NA	NA	0.3807	0.4168	0.4295	0.09812	0.1081	0.1118	0.255	0.3962	0.3124	0.3274	0.01611	0.002647	0.003748	0.01017	0	0	0.01361	0.005869	0.006649	0.009806	0.01274	0.02002	0.003143	0.004615	0.003045	0.01039	0.005207	0.0031	0.003028	0.001448	0.0008886	0	0.001799	0.001291	0.01868	0.009307	0.008777	0.00191	0.003699	0.002549	0.00474	0	0.002183	0.01366	0.001266	0
Taurine	0	0.000297	0.179	0.2124	0.2413	0.2266	0.1836	0.2168	0.191	0.2072	0.2438	0.2185	0.1997	0.2066	0.3498	0.4652	0.2915	0.07229	0.222	0.1361	0.06996	0.06333	0.08664	0.1841	0.2401	0.4081	0.1318	0.1904	0.1138	0.1656	0.02741	0.1193	0.3344	0.2982	0.2374	0.248	0.2974	0.1693	0.1031	0.0793	0.06349	0.1995	0.1711	0.271	0.161	0.07117	0.1358	0.08289	0.0731	0.06189	0.2664	0.1651	0.4065	0.1066	0.1268	0.2099	0.07097	0.06915	0.1317	0.2955	0.4185	0.3513	0.1481	0.1318	0.1847	0.06905	0.06963	0.0872	0.2448	0.4193	0.7559	0.4259	0.1716	0.2062	0.05243	0.04535	0.06761	0.2193	0.3719	0.3259	9.057	0.2027	0.1953	0.02229	0.09519	0.05225	0.7525	0.5846	0.4886	0.2367	0.2796	0.2008	0.1649	0.03595	0.03591	0.4359	0.4339	0.3524	0.1172	0.1537	0.1262	0.1041	0.1158	0.03718	0.296	0.2189	0.4091	0.27	0.179	0.2558	0.07397	0.08324	0.09086	0	0	0	0.1129	0.1271	0.1558	41.28	16.24	0.03807	0.4099	0.364	0.3614	0.1911	0.1853	0.209	NA	NA	3.769	4.744	0.1101	0.1081	0.1054	0.114	0.1139	0.1295	0.1607	0.1312	0.155	0.1466	0.3441	0.2318	0.1717	0.2301	0.1081	0.1806	0.1493	0.2124	0.1037	0.1145	0.095	0.06406	0.07443	0.0686	0.06003	0.06266	0.03735	0.07435	0.1029	0.4324	0.058	0.06624	0.06351	0.04464	0.06835	0.03258
Trehalose	0.000196	0.001452	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1.308	6.585	0.3255	1.378	0.004172	0.0007309	0.00161	0.0007432	0.001741	0.001694	0.004355	0.008243	0.001131	0.009493	0.01775	0.03669	0.0007097	0.006151	0.006575	0.002854	0.00598	0.004458	0.001799	0.00122	0.001561	0.0011	0.001347	0.001359	0.00449	0.00107	0.007511	0.002585	0.002771	0.002485	0.0009857	7.716e-05	0.002433	0.0002139	0.001154	0.001463

metabolite_name	formula	stan_mz	stan_rt_expected	which_standard_mix	concentration_added	kegg_id
(2R)-3-sulfopropanediol	C3H8O5S	155.001422	10.67	Mix2	4	cpd:C19675
Pyroglutamic acid	C5H7NO3	128.034768	7.97	Mix1	4	cpd:C01879
AMP	C10H14N5O7P	346.055262	11.585	Mix2	4	cpd:C00020
2-Hydroxyethanesulfonate	C2H6O4S	124.990857	7.2	Mix2	4	cpd:C05123
Malic acid	C4H6O5	133.0137	11.97	Mix1	4	cpd:C00149
Sucrose	C12H22O11	341.10839	11.93	Mix1	5	cpd:C00089
Taurine	C2H7NO3S	124.006841	11.13	Mix2	4	cpd:C00245
Trehalose	C12H22O11	341.10839	13	Mix2	4	cpd:C01083