Metabolite_name	RefMet_name	160720cOEsa09_1	160720cOEsa10_1	160720cOEsa11_1	160720cOEsa12_1	160720cOEsa13_1	160720cOEsa14_1	160720cOEsa15_1	160720cOEsa16_1	160720cOEsa17_1	160720cOEsa18_1	160720cOEsa19_1	160718cOEsa28_1	160718cOEsa18_1	160718cOEsa04_1	160719cOEsa47_1	160718cOEsa13_1	160718cOEsa39_1	160718cOEsa01_1	160718cOEsa46_1	160719cOEsa35_1	160720cOEsa04_1	160718cOEsa07_1	160718cOEsa35_1	160718cOEsa20_1	160718cOEsa50_1	160719cOEsa13_1	160719cOEsa20_1	160718cOEsa15_1	160720cOEsa05_1	160718cOEsa02_1	160719cOEsa16_1	160718cOEsa19_1	160719cOEsa24_1	160718cOEsa21_1	160719cOEsa04_1	160718cOEsa41_1	160718cOEsa38_1	160718cOEsa29_1	160718cOEsa14_1	160718cOEsa09_1	160718cOEsa44_1	160719cOEsa37_1	160718cOEsa05_1	160719cOEsa06_1	160718cOEsa31_1	160719cOEsa12_1	160718cOEsa40_1	160718cOEsa10_1	160718cOEsa24_1	160719cOEsa11_1	160718cOEsa22_1	160718cOEsa25_1	160719cOEsa19_1	160719cOEsa07_1	160719cOEsa29_1	160719cOEsa14_1	160719cOEsa17_1	160719cOEsa36_1
Factors	-	Group:NA | Timepoint:NA | Gender:NA | Age at start of study:-	Group:NA | Timepoint:NA | Gender:NA | Age at start of study:-	Group:NA | Timepoint:NA | Gender:NA | Age at start of study:-	Group:NA | Timepoint:NA | Gender:NA | Age at start of study:-	Group:NA | Timepoint:NA | Gender:NA | Age at start of study:-	Group:NA | Timepoint:NA | Gender:NA | Age at start of study:-	Group:NA | Timepoint:NA | Gender:NA | Age at start of study:-	Group:NA | Timepoint:NA | Gender:NA | Age at start of study:-	Group:NA | Timepoint:NA | Gender:NA | Age at start of study:-	Group:NA | Timepoint:NA | Gender:NA | Age at start of study:-	Group:NA | Timepoint:NA | Gender:NA | Age at start of study:-	Group:Placebo | Timepoint:Baseline (days 5-7) | Gender:Female spayed | Age at start of study:3	Group:Placebo | Timepoint:Baseline (days 5-7) | Gender:Female spayed | Age at start of study:6	Group:Placebo | Timepoint:Baseline (days 5-7) | Gender:Female spayed | Age at start of study:7	Group:Placebo | Timepoint:Baseline (days 5-7) | Gender:Female spayed | Age at start of study:8	Group:Placebo | Timepoint:Baseline (days 5-7) | Gender:Male castrated | Age at start of study:5	Group:Placebo | Timepoint:Baseline (days 5-7) | Gender:Male castrated | Age at start of study:5	Group:Placebo | Timepoint:Baseline (days 5-7) | Gender:Male castrated | Age at start of study:6	Group:Placebo | Timepoint:Baseline (days 5-7) | Gender:Male castrated | Age at start of study:6	Group:Placebo | Timepoint:Completion of treatment (days 26-28) | Gender:Female spayed | Age at start of study:3	Group:Placebo | Timepoint:Completion of treatment (days 26-28) | Gender:Female spayed | Age at start of study:6	Group:Placebo | Timepoint:Completion of treatment (days 26-28) | Gender:Female spayed | Age at start of study:7	Group:Placebo | Timepoint:Completion of treatment (days 26-28) | Gender:Female spayed | Age at start of study:8	Group:Placebo | Timepoint:Completion of treatment (days 26-28) | Gender:Male castrated | Age at start of study:5	Group:Placebo | Timepoint:Completion of treatment (days 26-28) | Gender:Male castrated | Age at start of study:5	Group:Placebo | Timepoint:Completion of treatment (days 26-28) | Gender:Male castrated | Age at start of study:6	Group:Placebo | Timepoint:Completion of treatment (days 26-28) | Gender:Male castrated | Age at start of study:6	Group:Placebo | Timepoint:Recovery (days 631-633) | Gender:Female spayed | Age at start of study:3	Group:Placebo | Timepoint:Recovery (days 631-633) | Gender:Female spayed | Age at start of study:6	Group:Placebo | Timepoint:Recovery (days 631-633) | Gender:Female spayed | Age at start of study:7	Group:Placebo | Timepoint:Recovery (days 631-633) | Gender:Female spayed | Age at start of study:8	Group:Placebo | Timepoint:Recovery (days 631-633) | Gender:Male castrated | Age at start of study:5	Group:Placebo | Timepoint:Recovery (days 631-633) | Gender:Male castrated | Age at start of study:5	Group:Placebo | Timepoint:Recovery (days 631-633) | Gender:Male castrated | Age at start of study:6	Group:Placebo | Timepoint:Recovery (days 631-633) | Gender:Male castrated | Age at start of study:6	Group:Synbiotic | Timepoint:Baseline (days 5-7) | Gender:Female spayed | Age at start of study:3	Group:Synbiotic | Timepoint:Baseline (days 5-7) | Gender:Female spayed | Age at start of study:6	Group:Synbiotic | Timepoint:Baseline (days 5-7) | Gender:Female spayed | Age at start of study:8	Group:Synbiotic | Timepoint:Baseline (days 5-7) | Gender:Male castrated | Age at start of study:3	Group:Synbiotic | Timepoint:Baseline (days 5-7) | Gender:Male castrated | Age at start of study:5	Group:Synbiotic | Timepoint:Baseline (days 5-7) | Gender:Male castrated | Age at start of study:5	Group:Synbiotic | Timepoint:Baseline (days 5-7) | Gender:Male castrated | Age at start of study:5	Group:Synbiotic | Timepoint:Baseline (days 5-7) | Gender:Male castrated | Age at start of study:6	Group:Synbiotic | Timepoint:Completion of treatment (days 26-28) | Gender:Female spayed | Age at start of study:3	Group:Synbiotic | Timepoint:Completion of treatment (days 26-28) | Gender:Female spayed | Age at start of study:6	Group:Synbiotic | Timepoint:Completion of treatment (days 26-28) | Gender:Female spayed | Age at start of study:8	Group:Synbiotic | Timepoint:Completion of treatment (days 26-28) | Gender:Male castrated | Age at start of study:3	Group:Synbiotic | Timepoint:Completion of treatment (days 26-28) | Gender:Male castrated | Age at start of study:5	Group:Synbiotic | Timepoint:Completion of treatment (days 26-28) | Gender:Male castrated | Age at start of study:5	Group:Synbiotic | Timepoint:Completion of treatment (days 26-28) | Gender:Male castrated | Age at start of study:5	Group:Synbiotic | Timepoint:Completion of treatment (days 26-28) | Gender:Male castrated | Age at start of study:6	Group:Synbiotic | Timepoint:Recovery (days 631-633) | Gender:Female spayed | Age at start of study:3	Group:Synbiotic | Timepoint:Recovery (days 631-633) | Gender:Female spayed | Age at start of study:6	Group:Synbiotic | Timepoint:Recovery (days 631-633) | Gender:Female spayed | Age at start of study:8	Group:Synbiotic | Timepoint:Recovery (days 631-633) | Gender:Male castrated | Age at start of study:3	Group:Synbiotic | Timepoint:Recovery (days 631-633) | Gender:Male castrated | Age at start of study:5	Group:Synbiotic | Timepoint:Recovery (days 631-633) | Gender:Male castrated | Age at start of study:5	Group:Synbiotic | Timepoint:Recovery (days 631-633) | Gender:Male castrated | Age at start of study:6
1_2-anhydro-myo-inositol NIST	1,2-Anhydro-myo-inositol	13168	14286	12839	12095	13309	12452	35440	9915	9382	9132	9447	9757	18540	22223	14803	14258	31042	22962	19699	8058	14347	19752	14273	17072	21353	18487	12513	9935	7434	18806	6204	9671	5237	9563	2397	22834	16388	16834	24876	31434	21151	17191	13527	14495	16404	19413	18257	21317	10477	10662	13771	9992	8974	3047	2315	8642	4488	6244
1_5-anhydroglucitol	1,5-Anhydrosorbitol	7220	5536	12482	11295	11180	10671	15155	11421	11524	11933	6812	5252	7252	4078	8028	3649	4665	4323	2286	17947	10525	14037	17420	3774	19796	15304	14153	808	2599	142984	1887	1995	2514	3357	1742	4365	17554	4974	8036	4767	8316	22297	3624	17492	24373	20873	13785	1911	20897	7286	21853	2221	2602	2336	7994	2533	2404	2808
1-hexadecanol	Cetyl alcohol	1757	1770	1790	1574	1753	1419	608	1994	1852	2266	1740	547	1308	426	309	465	568	518	583	199	268	197	232	220	266	479	243	260	829	613	308	372	1325	1399	474	959	519	208	468	907	413	452	313	183	340	485	188	248	174	310	204	1291	1326	691	190	563	1161	1073
1-kestose	1-Kestose	18213	15085	15862	17535	15675	16102	122	15641	14607	16409	15477	259	488	537	1918	117	402	462	259	53369	41965	34139	203089	69266	75388	99386	154633	10	24	100	49	75	7	98	8	488	138	685	1553	1465	1153	4946	32	79887	204071	69347	122258	178112	66	17927	218	907	37	22	188	50	32	94
1-methyladenosine	1-Methyladenosine	284	229	315	163	315	257	81	277	200	270	256	133	184	876	618	593	1066	802	870	495	463	2057	1106	968	865	556	237	316	212	186	140	69	273	31	27	849	586	525	2479	914	1212	1524	514	894	628	2352	1062	1220	809	257	845	54	83	69	796	147	110	278
1-monoolein	MG 18:1(9Z)/0:0/0:0	87793	87048	71048	88148	60040	93760	13449	24459	60809	19041	73273	19963	8186	9796	53831	4286	12622	11227	8724	5071	4964	57391	7910	88807	101734	169932	5869	6782	2905	27294	12186	4039	812	19967	2841	23166	11562	10235	22233	14657	85149	6822	12089	10007	9009	25497	123668	193329	39461	6393	45472	20228	762	845	1554534	7669	4457	6682
1-monopalmitin	MG 16:0/0:0/0:0	14553	13352	7946	11572	15169	14401	680	10942	15340	14257	14930	6018	6788	1635	7542	3957	8620	4334	1220	5081	3193	2500	3337	2924	3105	4525	3164	2695	1770	5310	1521	1068	393	6077	2951	3065	6234	6478	16290	5583	6859	10198	3811	4766	2693	4491	3352	2560	6530	3393	3733	4531	1793	416	8772	3923	963	636
1-monostearin	MG 18:0/0:0/0:0	2688	2774	1888	481	1728	2684	204	2775	2755	2267	2232	2810	1754	1404	6154	1523	3020	885	627	1272	2045	1636	1619	9137	10889	14197	1395	1191	1562	869	436	419	180	1236	641	1797	2890	830	1801	1074	7592	4269	874	1265	2251	2669	1181	14917	400	1576	4051	1237	107	154	994	677	955	606
2_3-dihydroxybutanoic acid NIST	2,3-Dihydroxybutanoic acid	230	263	231	220	228	287	182	301	245	285	240	261	190	176	135	119	347	148	158	51	72	98	114	18	157	94	72	252	97	212	343	219	356	193	206	240	193	148	192	198	172	226	67	149	99	75	25	141	117	93	268	166	148	63	66	128	102	376
2_4-diaminobutyric acid	2,4-Diaminobutyric acid	2012	2618	2309	2226	3120	2342	1260	3530	2667	2978	2555	3102	3056	916	568	2915	1008	869	2508	329	179	197	350	140	258	223	148	2940	3068	2142	1652	3288	3458	3121	8818	3865	1198	1039	881	2697	184	635	1388	320	109	383	138	170	345	188	590	2069	3017	6285	765	2780	6398	3080
2_5-dihydroxypyrazine NIST	2,5-Dihydroxypyrazine	702	535	603	554	640	624	470	648	563	613	651	191	534	403	480	235	434	336	187	653	644	388	532	416	461	538	560	162	148	97	210	289	132	179	535	199	467	323	334	384	635	567	260	722	290	389	394	444	672	439	576	84	188	430	666	200	444	191
2_8-dihydroxyquinoline	Quinoline-2,8-diol	2023	2173	2235	2037	1952	1984	229	2243	1685	2242	1944	1601	566	1335	835	693	737	722	780	3229	570	4725	4358	2138	2906	3031	927	4115	4535	5755	645	9843	824	1598	503	1866	1821	1444	1178	2124	2638	1939	995	1030	9362	7785	1773	1679	2188	439	4238	6205	5333	170	1429	4634	1889	953
2-deoxyerythritol	2-Deoxyerythritol	2688	2518	2597	2227	2543	2428	896	2033	2637	2684	2693	4692	5773	2379	1298	5370	7193	7343	2722	1007	1271	482	911	930	975	868	876	1712	756	1515	65083	2019	2482	7327	1787	9671	3287	1022	4521	3756	833	863	1101	1262	1328	1095	369	710	1745	398	1032	2694	1913	17870	1515	1988	2409	2218
2^-deoxyguanosine	Deoxyguanosine	2740	2576	2527	2256	2465	1917	119	2427	2621	2331	2403	3728	1377	6207	4065	3540	4199	4042	2444	1863	1193	1189	635	1114	1526	1045	2112	61	495	85	626	1095	71	112	412	10234	2385	2379	4036	2341	3331	8324	4419	1219	111	983	1361	1971	1322	368	2599	77	1015	321	1086	141	231	108
2-deoxytetronic acid	3,4-Dihydroxybutyric acid	1495	1316	1223	1141	1346	1270	530	1426	1323	911	1239	727	910	1300	710	1337	1104	1495	777	513	409	379	599	516	552	629	679	1835	2130	1326	562	1874	1607	1655	620	1257	1727	967	1159	1289	1318	911	1091	419	517	710	416	391	735	397	779	1292	2043	461	1243	1629	979	1467
2-hydroxybutanoic acid	2-Hydroxybutyric acid	23235	21662	20193	19117	23918	21074	29535	27327	26776	27529	23944	10289	3401	19195	14678	161892	10350	3549	21881	41081	51662	26636	36596	49953	58406	36380	35728	4112	1170	3579	1625	2034	13209	5733	8504	3426	61119	7474	12745	41567	19330	1499	626	76553	49316	37773	32700	18670	39586	44183	31737	5532	3082	1631	623	1266	10899	13862
2-hydroxyglutaric acid	2-Hydroxyglutaric acid	2954	3708	3700	3413	3419	3261	1683	4103	3731	4058	3299	3174	1476	1422	2401	1308	719	1958	697	4173	5952	4044	4349	2552	6177	7194	5284	9638	1698	572	1679	2525	3671	1991	1782	1973	4498	1519	1458	674	8217	18883	1048	7166	2567	5377	16960	20637	4620	12088	5387	883	2035	1202	2260	2636	1541	4231
2-hydroxyhexanoic acid	2-Hydroxyhexanoic acid	29536	31495	27934	27244	31841	29743	602	32473	30524	32910	29313	12072	4735	777	9520	57120	11442	5663	16558	76733	43453	71337	83548	51917	94288	59184	98980	18667	6119	4255	2095	7995	22897	17731	10956	7891	39497	4138	23496	18346	9083	3486	956	119224	59702	308037	97739	106176	85891	100355	120836	27188	6988	3465	1893	6257	19667	20958
2-hydroxyvaleric acid	2-Hydroxyvaleric acid	8143	810	8764	8607	908	1031	3075	1224	1066	1047	1014	1119	1028	761	426	8546	3171	921	771	249	6810	12480	15644	348	232	268	126	706	764	10007	1909	655	612	912	4494	1756	360	574	839	939	448	514	7708	9310	15221	863	4101	3359	11639	402	11367	929	2732	20330	343	636	963	10590
2-ketoisocaproic acid	Ketoleucine	3209	3549	2003	2469	3171	2916	19135	3601	2629	3827	3209	4559	2413	2377	3034	3013	2615	2156	2054	1682	2185	2290	2838	1223	2200	1909	1485	1418	1685	3197	5986	1163	2006	2042	3577	2701	1731	2312	2041	3819	1518	2383	2594	2364	2941	3239	1395	1968	2169	3372	8472	2257	2032	1424	2226	1066	1443	1821
2-methylglyceric acid NIST	2,3-Dihydroxyisobutyric acid	2980	3055	3038	2648	2799	2801	25	598	1068	3484	3070	1245	8405	1569	6996	2578	14151	14196	444	1117	790	625	874	703	1510	1914	611	1341	457	353	885	796	1127	816	702	884	2233	1137	5899	586	21718	19457	611	1376	692	1088	1426	692	911	2202	1079	527	524	755	2291	1336	404	922
2-monoolein	MG 0:0/18:1(9Z)/0:0	26356	27836	27695	24856	27892	24190	429	2498	9048	24322	23527	9323	6942	7731	14695	5317	11792	9875	12463	8196	6117	5757	6285	9352	5884	11740	6570	2147	884	5945	5718	1736	7082	1669	286	14145	7497	12491	6860	10240	25071	16867	5960	3535	5049	11641	9218	9054	1166	5629	5620	2111	558	293	1390	3569	1458	6314
2-monopalmitin	MG 0:0/16:0/0:0	9759	11787	11040	10850	11113	12729	13415	10264	9404	11210	2335	2825	2997	9074	8499	4685	2770	8755	8457	6669	6014	6729	6327	6391	7862	3719	5162	5305	708	10909	1281	799	3487	2404	1013	4154	11117	8350	7320	13605	7443	9382	3007	5643	8246	6609	6351	6366	6149	4277	4817	2311	4215	1269	10933	5130	1963	3969
3-(3-hydroxyphenyl)propionic acid	3-(3-Hydroxyphenyl)propanoic acid	43867	46531	44828	41481	43969	44468	226	46487	41669	45633	38877	212470	206953	69214	18783	75477	101376	59218	78446	1348	634	951	1280	807	770	213	88	809	84899	93327	44403	76717	666	167768	77346	240661	22793	35677	55442	171259	865	1218	86750	1247	1431	345	769	527	825	407	188	91296	134885	21856	140	27581	39790	775
3_4-dihydroxybenzoic acid	Protocatechuic acid	6659	7327	7135	6372	6866	6982	34	7311	6640	7535	6578	12984	2506	8537	1918	3015	4290	5490	3991	3328	1872	2725	2192	2036	1749	1533	2978	18782	7881	12420	17774	7877	2783	26592	14370	7279	4610	2054	3788	2322	4336	3060	13140	4578	1694	1978	2591	2683	2643	2180	2387	26569	6790	4762	518	14140	4707	8674
3_4-dihydroxycinnamic acid	Caffeic acid	5386	5498	5189	4906	4922	5135	887	5076	5019	5589	4583	4244	1540	1269	10007	9819	4467	3523	7565	2547	1907	1734	1178	2538	5558	16989	4071	6545	1387	1548	281	1606	1329	1761	731	1990	25507	5824	6634	5441	15477	11380	2795	5276	2325	3584	18549	5494	2107	1481	1842	2308	1108	161	760	4120	422	414
3_4-dihydroxyhydrocinnamic acid NIST	3,4-Dihydroxyhydrocinnamic acid	40765	41581	40197	37935	39780	39412	8754	42949	37626	16173	38166	11158	23174	22573	16708	18043	36625	79529	14600	7727	3079	3963	6373	6843	11902	14086	3709	40617	22765	1849	32658	27090	26672	37959	29073	23414	10557	14987	36089	24043	21277	18624	9793	15231	7738	7659	16818	4398	6855	6086	11600	6886	29028	61532	1485	2448	35614	26438
3_4-dihydroxyphenylacetic acid	3,4-Dihydroxybenzeneacetic acid	1028	1004	1122	991	1109	985	63	70	1068	574	993	955	1201	674	396	503	317	755	446	1130	415	748	993	356	1062	734	263	1436	98	271	184	209	66	501	100	1577	238	610	431	942	221	230	1045	636	1522	552	520	233	727	126	862	643	97	336	199	238	144	63
3-(4-hydroxyphenyl)propionic acid	Desaminotyrosine	28543	30789	29617	28277	28632	6598	411	30481	28218	28866	27753	80403	90967	41726	28474	53579	79347	41785	77749	5285	651	4987	3523	3239	16751	5873	350	35098	47535	15847	4747	50373	16487	68675	22590	108063	19263	63857	85256	141022	4122	20001	48345	16156	3636	8038	8469	415	4213	9211	4855	79425	32683	14394	13332	12923	48167	13327
3_6-anhydro-D-galactose	3,6-Anhydro-galactose	3715	3657	3754	3594	3573	3963	1533	4648	3732	5021	3808	1562	2696	2642	7545	2970	3137	2523	7068	11285	2065	3998	2544	4709	3069	6165	3393	2456	3734	2970	1253	1215	4681	2211	1315	780	3383	6785	7046	4011	18401	8320	2513	4535	5730	3667	4021	3069	6887	2971	1712	2048	2550	973	1987	6495	12216	3374
3-aminoisobutyric acid	3-Aminoisobutanoic acid	2409	2131	1839	2056	1884	2159	404	1611	2164	1895	2564	2882	1311	4072	2223	6064	2076	3424	895	139	5018	8168	10934	3414	732	2721	84	284	5651	6735	4218	757	10373	1382	5679	1459	3092	560	832	1314	488	631	5116	6406	9728	6462	2683	2297	7748	9842	3648	916	1792	4641	387	4193	2628	8234
3-hydroxy-3-methylglutaric acid	3-Hydroxymethylglutaric acid	241	494	214	328	318	309	386	335	383	395	457	484	374	176	66	292	315	186	79	46	43	39	86	33	52	36	29	1166	232	490	823	1550	1266	843	347	165	368	206	102	158	255	199	134	33	69	65	62	67	35	16	74	493	1197	273	8358	67	257	1313
3-hydroxybutyric acid	3-Hydroxybutyric acid	5732	7109	4893	6267	7864	7697	188994	9128	8461	8814	7052	9836	23336	5492	2783	2838	23808	20105	8919	10229	4403	12157	11004	7131	20974	12790	2806	10244	25381	5841	5447	2346	6807	12265	3158	60165	1705	2670	21792	19367	3795	4466	742	12602	9907	20608	6102	10013	11132	17601	14523	8075	8921	1440	4890	22821	11624	6659
3-hydroxypalmitic acid	3R-Hydroxypalmitic acid	3819	3165	2301	2105	2524	2199	69	1796	2223	897	1763	3476	5907	3340	598	2525	1415	3592	1391	838	687	379	463	516	681	568	673	669	962	1370	688	455	639	3976	734	3226	373	1236	1416	2842	288	1069	3227	809	782	751	702	1163	1048	377	371	4752	3198	1237	1037	592	793	953
3-hydroxyphenylacetic acid	3-Hydroxyphenylacetic acid	1465	1661	1537	1277	669	1411	226	1491	1561	1685	1364	7758	8443	606	582	1412	12188	4116	2583	39	47	36	94	67	63	89	71	77	3578	1704	789	217	319	159	3099	8403	1018	4265	1454	5299	55	77	11401	64	143	26	32	50	43	102	239	124	275	758	150	189	726	359
3-hydroxypropionic acid	Hydroxypropionic acid	5837	6144	5644	4901	6564	6607	5783	7566	7617	7986	6586	5050	1943	1831	5898	13953	6797	3092	4201	5702	5616	4574	7183	4207	6764	2984	5022	11159	2408	3297	1234	2338	2309	9001	2728	2071	8746	3848	8032	11727	12882	2395	1830	7476	9594	13013	1159	1222	7066	9305	3368	2513	4404	569	638	2025	2864	2224
3-phenyllactic acid	Phenyllactic acid	12431	11995	11929	12288	12752	12376	122	13779	12998	13698	4542	9890	3844	781	4114	31484	5225	5853	6380	9014	10654	7606	7312	7089	9204	10754	11018	19249	4351	5198	1217	4985	11444	19572	7875	7848	32942	2885	6845	7650	4746	1772	438	20194	10098	16937	21692	13421	12205	7617	7675	16813	9052	1535	331	4010	10287	9165
4-aminobutyric acid	4-Aminopentanoic acid	37052	38439	36927	36611	34382	32340	542	36953	35936	37310	33556	8623	1906	1947	12898	2487	2056	1665	1818	168425	72970	190000	158012	76780	137307	83172	88046	80971	4134	59152	3966	39344	7511	89927	14144	11156	2035	1645	1189	3110	7061	11658	1923	207976	158591	313951	86549	77630	155025	393600	56870	60314	60568	7965	437	20753	49542	6466
4-hydroxybenzoate	4-Hydroxybenzoic acid	13339	14587	13833	11175	12659	13355	285	14574	13765	15156	12840	27743	5015	15135	5604	6975	3972	6100	9240	1411	665	868	1182	1062	1135	1007	798	20316	14302	17254	8232	16292	14378	21942	23719	12022	11024	12478	13830	10605	4231	9225	17030	1940	1148	1629	949	619	1938	689	1254	29967	49060	7764	420	16643	17134	13048
4-hydroxybutyric acid	4-Hydroxybutyric acid	2300	2605	2264	2046	2161	2218	1022	1609	2440	2596	2236	2488	2995	1912	1230	2408	3850	2989	1497	1753	816	1009	1666	1721	2519	1984	3965	1238	4304	1125	1382	650	1501	1407	1272	4301	1346	2341	5054	3286	2678	13407	6421	3260	2262	6023	1015	1906	2645	1176	2000	1523	1347	923	315	8335	1150	884
4-hydroxyhippuric acid NIST	4-Hydroxyhippuric acid	373	323	308	264	323	285	150	311	370	270	299	259	211	426	141	115	181	509	61	137	159	95	158	86	196	103	155	90	73	145	325	348	210	183	73	350	123	106	162	252	253	270	179	154	181	78	66	138	159	95	143	134	468	208	318	132	180	216
4-hydroxyphenylacetic acid	4-Hydroxyphenylacetic acid	51850	54831	54234	49457	51334	52123	191	51993	52039	56164	48241	10957	34200	33673	22576	17580	18173	29247	27211	777	574	591	3987	609	6935	2915	473	80327	17506	62809	10270	47620	49930	133645	21035	23131	12980	24065	28474	25804	13945	24431	73736	5072	7157	139343	550	378	1463	611	10913	128116	75856	7198	837	70795	10981	47322
4-methyl-5-thiazoleethanol	5-(2-Hydroxyethyl)-4-methylthiazole	2439	7928	2727	9012	7177	7482	2586	8964	3653	913	10053	7004	6158	11131	4054	5818	6952	6465	3255	8187	2023	7641	9192	4673	4018	4130	7535	6779	8505	5291	6061	7434	4529	8124	3208	4847	7681	5436	4584	4707	3753	3685	9201	6917	7777	3059	5097	3783	6668	5593	7325	5251	4148	1230	8147	5072	931	4838
5_6-dihydrouracil major		486	441	534	529	335	311	204	272	348	851	426	635	2138	95	173	161	448	1952	224	495	197	198	445	189	191	404	177	479	281	111	45	501	644	1612	139	864	618	124	591	803	557	178	355	290	513	166	155	165	421	106	137	825	115	60	143	270	234	857
5-aminovaleric acid	5-Aminopentanoic acid	361342	379936	375935	364574	370634	381947	837	382874	383808	399504	346191	389669	272361	190366	222018	454532	103714	52189	349940	33329	249567	2248	94953	175697	84554	341857	128964	163761	57267	123413	156387	102661	86164	199841	316618	197622	189319	393610	165089	575549	24972	31526	255141	550342	112193	1351766	1943	1104	410623	166039	478864	163398	133353	327968	292	58499	274965	90725
6-deoxyglucose	Quinovose	48057	49224	47367	44542	47051	45874	2207	51709	44153	46921	35890	31307	40238	71870	20666	34381	28852	153534	48627	17625	11092	11495	15455	11850	15786	11246	12410	47381	380096	207736	287879	279950	333306	246956	79113	131648	1077	33998	22942	47415	13544	27005	60282	13996	20604	22030	12800	10310	15843	6808	16819	114139	255803	55357	46799	448832	51553	334138
6-hydroxynicotinic acid	6-Hydroxynicotinic acid	1339	1395	1401	1318	1312	1354	163	1439	1383	1475	1278	3323	2776	482	257	1908	801	545	499	306	139	220	197	199	419	230	138	1025	2686	876	3708	749	929	1900	2704	2132	403	413	797	1222	253	271	1260	268	462	219	228	271	378	75	191	2003	1503	1152	25211	975	662	825
acetophenone NIST	Acetophenone	1710	2043	1677	2091	3564	3436	1348	2870	2443	3405	2036	3008	4161	2629	1480	2172	2062	3361	4531	1521	1839	1340	1394	1508	3089	1816	1285	1152	2881	4949	2102	1383	1292	2307	35453	3071	2849	2326	1836	4005	4834	4434	2230	2716	1814	3229	1765	1307	1492	2170	1077	1791	1813	9584	3802	1342	7601	2334
adenine	Adenine	13293	14567	12782	12116	13273	12941	116	13415	10476	14033	12238	18806	34243	63197	19330	8911	62812	32759	15896	6822	3950	3876	4115	4694	3442	3420	2776	1171	28496	5930	14329	11425	1019	7012	7578	33926	10567	36910	32949	47875	14929	16861	41714	8372	3575	18577	5993	2652	12274	2936	1243	7095	5780	7967	1650	24704	1135	1993
adenosine	Adenosine	1450	1603	1325	1168	1324	1344	78	1451	1371	1260	1125	513	1060	637	597	418	760	941	541	555	6925	145	139	2524	156	103	2578	45	147	193	65	29	25	92	62	1355	518	3008	1331	1931	1701	940	745	3429	111	563	194	135	2542	222	62	48	264	148	127	87	97	21
adipic acid	Adipic acid	1045	1197	1032	1030	870	1130	1097	1267	1138	1552	434	930	1940	1401	1128	1064	1200	1320	1051	285	510	271	364	267	455	453	334	798	973	1062	468	671	659	1169	1056	1791	1063	917	742	1509	769	1109	933	309	528	592	197	406	161	398	329	680	290	1101	986	730	562	704
alanine	Alanine	810934	715334	717896	723247	726401	727599	331224	735859	657416	705522	890199	568643	537437	548323	472318	619734	476169	551825	469396	690254	463867	969438	986282	480595	846832	570569	844197	866247	1183797	1274314	1223421	814010	1431371	1309117	1602963	408075	388596	412016	336334	642866	271274	347689	670518	967450	764981	796365	454665	349922	951388	1137822	999697	1170283	728121	1374187	505839	621617	816960	1319446
alanine-alanine	Ala-Ala	21248	19875	19883	24367	21580	22108	3144	22981	25661	18457	19910	16577	20713	33414	13539	15781	11466	3740	18747	51834	17921	43526	44302	26206	37270	29823	46052	6615	6722	7441	4177	8106	16433	8519	11334	16589	14980	14132	9680	11065	10552	24419	15846	48943	55905	27430	18066	13965	49742	49410	17150	11185	9464	2603	8441	17941	17325	17705
allantoic acid	Allantoic acid	10704	10145	10076	6494	9483	7739	10340	8834	6369	8842	8218	263	366	99	246	4193	291	267	1247	1388	3401	6113	7636	5156	11208	2624	8497	437	781	323	3965	2257	4481	352	472	396	3100	278	171	548	1507	232	2024	10994	336	1131	5727	7054	7420	989	1386	538	375	1725	201	919	349	887
alpha-ketoglutarate	2-Oxoglutaric acid	976	874	1131	530	787	916	3476	1018	1100	819	869	894	294	345	406	359	218	280	169	37	107	62	93	90	118	93	78	50	83	252	1408	206	110	100	390	269	293	349	197	391	273	345	496	49	69	56	82	68	78	71	2550	102	730	788	697	72	333	137
aminomalonate	Aminomalonic acid	3278	2966	3637	3238	5152	4883	20295	4319	4527	6810	4962	1416	1431	1220	5425	1522	2397	2185	4868	4379	3037	2502	1681	1504	3384	4339	2127	1342	4409	345	5297	2222	7197	1678	765	2579	2789	1789	1565	2275	2693	2906	1769	8230	2037	6226	1603	793	6139	9606	6237	2449	4121	11865	1024	4717	14468	6383
arachidic acid	Arachidic acid	13108	13190	12179	11936	12656	12640	5808	13889	10866	13613	12959	20778	16680	12078	9413	15100	14710	18850	8723	13905	6703	13440	9753	14326	9864	13119	17517	11973	6106	15257	7974	8136	9873	21553	6840	22828	18219	8209	15484	17143	8478	14752	7849	12998	18645	14224	13822	15191	16311	7967	6735	16329	16359	6908	2504	14650	11268	7479
arachidonic acid	Arachidonic acid	15672	15378	15170	13582	14499	15044	3181	16026	15440	16248	14692	20676	9278	8702	8387	10914	2845	4668	3591	14249	10485	11974	8206	8752	11042	7396	8071	4162	2498	3791	5374	1284	1424	2132	3576	7964	5022	6801	8815	4496	5475	11382	6760	11297	13287	15043	7694	2472	21514	11299	6689	3800	2960	1237	191	2327	7852	960
asparagine	Asparagine	1527	2185	1676	2767	2005	1957	1197	1726	1902	2434	2303	1344	1092	4227	1948	923	1401	1320	1278	1646	843	2198	2800	2492	871	2494	2497	3000	2070	1526	2095	51768	1859	485	798	1953	1659	1727	1398	1692	1737	1709	2137	656	679	2210	1291	1750	1867	1798	9010	2793	1874	1035	5752	2308	824	1861
asparagine dehydrated	Asparagine	849	1402	1042	2069	1183	1174	404	946	1028	1720	1590	608	553	1867	1161	436	798	565	571	1514	653	1961	2680	2316	611	2425	2178	356	218	494	825	50894	1385	147	699	367	1066	850	856	775	1358	1253	557	306	536	1935	877	1552	1618	1145	7227	2387	1236	407	1161	224	615	1371
behenic acid	Behenic acid	8445	7531	7190	6714	7712	7212	1956	7804	7292	6708	6710	15001	13351	7173	4560	9071	9005	10041	4873	5085	11423	4209	6654	9773	5720	6073	10503	8370	3659	9286	5095	3528	4164	14628	3808	18943	9751	4966	7034	7051	5017	12323	6019	7501	14968	9177	6843	6661	10195	8107	4837	11105	9329	3961	7245	8990	5512	5506
benzoic acid	Benzoic acid	4789	4571	4331	3926	5055	4999	17421	5666	5237	6815	4680	5367	6609	4845	5325	3523	7001	3951	4403	2118	3672	3127	2998	2346	3986	4477	3660	2276	2351	6683	4988	2632	3159	3217	5961	8128	2847	4299	3724	7618	4024	4767	3541	3768	2678	6045	2711	3647	2699	270	3013	3475	16773	1931	5664	3011	2650	3394
beta-alanine	beta-Alanine	6821	8712	8945	7565	4967	5206	1251	6378	5084	5183	7710	13846	17921	1308	1110	4292	1474	376	886	555	417	983	1942	545	1464	662	517	2288	12428	1608	4882	2768	1812	14007	15471	4989	671	2042	983	3491	624	347	738	565	1221	10044	1315	513	638	1737	2368	4918	12310	10638	11756	645	7401	1941
beta-gentiobiose	beta-Gentiobiose	13252	11272	11184	11195	11598	12245	27877	11703	10729	11826	9563	7182	5915	5240	6829	7338	18129	10252	22532	10044	24964	47634	53532	50655	16388	9488	50579	3764	5681	3104	3367	8272	12711	1187	239	10884	24250	29612	53953	16251	12341	4506	2581	38650	69791	56598	27792	32420	13905	13243	45704	3764	5908	981	3655	19710	12439	12039
beta-glutamic acid	Isoglutamic acid	3248	3824	3091	4943	3988	3965	122	4168	4649	5037	4443	295	8	1480	28	129	82	202	45	215	62	105	93	123	1331	81	101	92	74	171	125	59	275	138	484	90	1817	69	56	32	75	1941	64	183	67	400	54	359	104	382	3399	206	314	7668	2768	31	207	286
beta-mannosylglycerate		4743	4354	4236	3868	4245	4071	5335	3920	4045	3477	3446	1486	2421	1257	1751	1610	856	1322	1362	19762	5281	7654	2913	10378	27060	26596	18314	856	2447	962	8681	767	760	1226	451	1326	1227	1094	2762	1232	1470	12718	1010	13524	2108	15968	14354	55379	9378	7852	7509	1096	736	10684	12783	1716	1372	2355
beta-sitosterol	Sitosterol	1979	4588	4285	261350	265400	259500	395	2856	252507	282773	252026	351210	8766	273153	196940	154444	255184	323989	213422	1294	196920	4860	204466	160890	195573	203266	184891	193495	2821	331747	218924	116977	129478	6297	155195	3891	301289	6434	204062	12918	183316	285501	228323	159135	283071	101662	3572	169115	781	111692	965	299249	323692	5440	817401	199456	94027	110985
biphenyl	Biphenyl	691	638	498	325	622	472	423	438	432	427	421	248	483	296	191	232	285	130	250	434	214	264	178	234	353	532	235	119	89	267	335	151	260	766	2646	332	232	237	329	224	392	320	265	273	191	144	359	232	240	152	161	937	103	1318	104	69	5718	128
butane-2_3-diol NIST	2,3-Butanediol	10144	14298	9287	8991	17126	16524	4222	16257	15580	17238	10806	2436	2747	3783	16881	3683	862396	4361	14701	4568	6801	1836	10819	2958	6154	4987	2107	204170	1218	3991	1048	1111	2344	30552	955	10508	3675	5576	7679	6563	3864	3593	2647	4330	2646	3904	1877	2189	4914	1825	2524	1446	1033	36096	2669	3723	1279	2823
butyrolactam NIST	2-Pyrrolidinone	6040	5975	4576	5150	5838	5962	2702	6387	6428	8649	6274	1950	1319	845	3202	1085	1709	860	868	20920	12550	23610	18228	8984	18117	25084	15380	9868	1295	9394	7171	5610	1266	10123	3274	3501	1312	1063	1254	2297	3282	2954	608	32458	16259	56818	10675	9361	18921	59930	6931	6705	7891	1845	1159	3769	8757	1114
capric acid	Capric acid	432	473	407	452	551	361	1724	721	295	726	426	678	195	612	621	319	783	426	303	338	337	401	479	292	500	662	406	299	242	932	304	202	165	448	234	1121	335	343	420	473	254	332	445	618	507	806	353	566	355	410	413	304	483	180	1060	222	212	330
caprylic acid	Caprylic acid	912	709	700	677	894	638	4394	1058	731	864	1080	1076	1583	843	1229	559	1619	596	948	592	1277	983	1513	877	1479	1885	696	552	495	1218	383	698	501	688	271	2224	713	863	1389	1544	880	988	554	1017	715	1345	777	925	766	1167	828	1225	839	219	1121	660	289	339
cellobiose	Cellobiose	9778	12087	12434	9397	12706	14287	326	9866	12429	4555	10905	29704	14235	80383	50855	26595	120530	64211	58955	6974	18464	114159	23397	261178	69631	26957	29396	2624	2402	1753	1275	7930	26017	7777	249	5399	90703	71090	110944	111969	108197	93648	27545	6358	14269	12413	6718	13521	2284	13051	7950	8747	1384	753	13927	5248	3319	24528
cerotinic acid	Cerotic acid	289	391	308	348	315	338	360	287	284	305	58	1004	747	637	295	589	102	778	447	555	1063	557	299	659	431	566	689	504	209	939	174	253	222	918	247	1554	1169	205	656	955	456	734	512	523	765	437	635	350	128	239	266	686	762	149	931	643	182	341
chenodeoxycholic acid	Chenodeoxycholic acid	3812	3149	3148	2499	1995	1976	1003	3632	2886	3691	3264	4924	7180	1583	2361	2731	1456	1443	3689	1689	866	2812	1794	503	2388	2551	292	408	1189	4990	4460	679	1970	7519	2358	7447	3622	2234	1765	5312	3656	253	2552	1034	3098	3231	1460	933	2625	730	1923	4912	187	3708	374	1095	2467	1600
cholesterol	Cholesterol	228494	194913	197100	205442	205219	209180	319985	214608	195010	218384	198316	218931	305706	149033	95836	123527	143644	188749	113128	143202	112788	201760	116004	108867	198590	140490	121034	103093	134067	171968	134984	69832	82709	275099	94330	250063	184680	104594	134245	264831	107479	127830	137656	120683	250242	222519	109294	78893	185716	105959	103386	218072	254348	90276	436249	139500	216300	62100
cholic acid	Cholic acid	117349	90545	95287	98018	99083	98252	1708	744	100343	109435	92044	120319	1898	200811	80101	39437	98612	168924	133647	171	10930	65365	76704	9010	113	11676	28076	9426	9595	77925	11758	25872	3631	240	7306	220771	60516	423	58449	183836	1548	1948	144220	29424	89000	504	25673	33121	585	29108	286	16893	4302	3191	95296	37757	8907	3910
cis-gondoic acid	cis-Gondoic acid	1780	1576	1612	1410	1644	1589	78	1689	1611	1884	1391	1684	1204	571	524	768	370	1746	499	1976	1506	1048	816	975	1607	955	1694	953	259	1084	654	459	909	1942	354	1179	776	431	1164	1282	646	1045	498	1523	2243	1345	1176	1072	3080	926	250	1559	1072	458	251	860	659	737
cis-sinapinic acid	cis-Sinapic acid	684	820	892	1315	664	857	110	1455	869	848	1308	1216	176	151	1520	591	1121	276	748	119	257	183	443	100	174	242	433	263	294	356	71	80	117	248	17	324	2683	1788	1326	1783	93	1726	415	44	412	327	379	232	145	164	144	274	137	880	183	341	24	26
citric acid	Citric acid	86	134	87	105	151	148	78597	164	139	150	113	176	171	229	129	30	248	67	15	82	115	156	106	166	144	114	110	344	85	201	101	517	195	147	146	335	90	101	135	101	127	273	81	220	301	163	153	156	83	535	263	134	524	498	25910	170	90	297
citrulline	Citrulline	8519	9104	8694	9954	11905	12529	21038	12378	10542	17434	8988	5917	7495	4870	7313	4092	5656	6077	4208	7615	3996	3938	5003	3233	6215	5916	3239	1617	7996	1578	19547	11221	9024	992	11655	5058	5355	5520	3496	6553	3269	4117	8074	6074	4072	10376	3370	1079	5057	9186	4702	2243	9226	42681	1914	7285	3810	9996
conduritol-beta-epoxide	Conduritol epoxide	1944	1887	1898	1726	700	1968	185	2158	902	1888	1862	1074	366	548	2399	766	746	704	984	5071	1077	3492	3822	1510	2677	4776	487	243	146	230	287	221	295	120	64	514	1199	868	1449	958	2273	1234	409	2938	4009	10007	1540	1132	3422	741	3239	147	107	94	292	360	217	215
creatinine	Creatinine	16023	13240	12340	8708	18766	17129	132915	13506	22249	4023	12856	734	1340	6329	33575	2373	19937	1703	20970	21928	15025	9785	17769	6783	20001	22615	12532	2053	518	2521	4742	4465	691	688	724	40945	1917	7367	13367	22049	31437	10264	2116	79293	3864	22149	10762	6995	7165	25498	26608	487	649	1261	231	1041	462	1456
cysteine	Cysteine	5675	5175	6821	6887	4335	4437	1846	4719	4858	3549	5638	3827	3024	4982	4076	2157	3719	3975	2084	18645	6340	9340	11905	6851	7864	19421	7019	887	268	186	369	692	617	688	706	1225	5806	2763	5727	3318	7320	5629	1344	10563	6071	7033	8680	4412	11580	9370	15382	655	328	1230	1261	436	499	624
cystine	Cystine	344	739	1353	887	622	925	2037	678	785	695	548	194	467	296	2102	172	705	432	1601	959	1793	874	1084	845	979	1620	3202	591	921	1452	251	806	608	478	359	413	625	1245	1271	239	2353	1701	163	2013	227	1375	2516	1945	778	694	2349	867	693	214	592	326	4199	594
cytosin	Cytosine	610	1431	1462	1411	780	1070	191	1291	1253	1262	1319	3197	6131	3892	2889	7579	4147	5443	984	232	253	189	246	247	156	225	164	258	5137	3026	1585	504	171	128	772	5968	2004	314	1618	2209	859	1073	1144	236	372	265	228	216	235	354	148	474	1250	502	613	2090	420	305
daidzein	Daidzein	400	656	650	621	500	571	172	693	408	713	613	745	678	252	308	392	277	332	201	908	304	430	553	352	892	676	264	506	209	512	334	163	98	440	258	612	423	304	297	312	363	360	306	685	1190	645	528	173	560	322	324	528	171	333	912	188	363	182
deoxycholic acid	Deoxycholic acid	1360	1332	67527	73449	70005	71382	364	72932	70063	452	69689	376	120	7094	77	28703	1162	5427	8262	45	2504	5010	170	92	102	503	53	18491	150	2996	111319	20738	261	4597	89241	6372	344	1045	2641	43646	109	163	26847	2934	3531	287	3063	139	56	27	416	51754	24701	693	687	4735	309022	8762
D-erythro-sphingosine	Sphingosine	10799	20707	10653	25781	24729	24073	107	14364	23902	20447	11125	22579	39450	4308	5589	6043	8833	4159	8638	12546	5199	11489	10927	9790	22798	1003	10223	6781	5850	869	3465	4986	2090	2071	1731	10387	14346	8567	7220	4338	2795	8393	8472	13112	620	1546	7933	5373	20251	1042	980	21981	33990	2136	29730	7162	49033	438
diglycerol	Diglycerol	2388	3043	2693	3736	3143	3273	2946	3728	3363	3753	3230	2911	4479	3704	4272	1927	3745	4524	2913	3721	3914	3196	3975	3792	4247	4321	3813	10450	3481	1459	2459	10645	3757	2482	2233	1892	6063	3357	5287	3541	7371	7392	1974	1917	3016	4684	3285	2233	4503	3730	5577	1790	7223	2259	13952	3235	3740	4283
dihydrocholesterol	Dihydrocholesterol	3794	3173	2979	3471	3170	3278	407	3412	3136	3610	3305	2760	8616	2249	1510	1504	1954	2138	630	4425	1523	2720	3355	1616	1788	1538	1264	1352	1491	2284	2425	1967	742	3408	1957	3810	2674	1708	1600	221	962	1804	1328	1607	3052	6377	1360	1249	5889	912	1189	2376	2739	2225	2066	1057	1734	526
docosahexaenoic acid	Docosahexaenoic acid	2293	1722	2172	2313	1935	2230	1100	2341	2148	1770	2092	480	2378	1645	254	1859	1465	1974	910	370	1499	1896	192	278	1855	1493	395	1034	434	1225	887	80	581	316	757	2140	1003	233	1723	1824	191	286	1307	1540	2255	385	1201	895	499	394	91	502	195	481	4672	490	946	72
erythritol	Erythritol	19688	21641	21687	19795	20548	20269	2570	21997	20621	22253	19663	7337	15300	25934	16266	13752	23173	27806	13317	13327	8303	9619	14327	9366	12855	7056	10302	5302	2561	3093	925	6803	8094	7867	730	8712	14236	17636	21387	13680	15940	19031	9086	14567	31244	19710	4069	4587	20295	4602	11476	7689	6677	11695	22336	6658	1235	7713
erythrose	Erythrose	257	318	354	335	315	339	107	356	298	460	333	214	187	58	344	157	606	307	244	739	748	563	653	456	658	473	603	55	92	71	36	49	130	85	48	387	184	250	478	337	613	810	51	606	578	791	548	509	537	212	272	84	130	44	125	102	169	111
ethanolamine	Ethanolamine	34932	36306	35985	30993	30462	34492	2015	39489	33761	35118	35736	31708	42263	58147	28923	49373	35969	31371	27315	10250	10030	10409	9196	12032	16423	10855	17397	31686	34280	48399	15758	49302	36577	60896	47455	38114	23509	31612	26951	39094	12645	34586	15634	20125	11952	11738	20034	26487	18479	39968	26883	81283	46360	49157	73892	49938	60236	40303
ferulic acid	trans-Ferulic acid	5252	5299	5076	4135	5107	5161	411	4620	4828	5785	4754	7646	2151	6207	7190	6146	4796	3012	6520	2739	2687	906	1599	2016	599	1480	4056	34149	20066	14477	15733	15752	8475	7910	2201	4786	12140	7788	6541	6484	7364	16258	13905	349	3931	1332	581	2749	3726	215	767	11783	9645	1563	1583	23913	3049	8193
fructose	Fructose	14150	14597	14292	13089	13295	13822	4943	13404	13930	15304	13171	7211	10695	8250	82568	6470	18260	13438	20956	11520	1482	8231	5745	5896	21530	8373	5233	50611	28724	40231	16207	30500	29981	39964	9141	18533	12935	46083	43475	20889	43889	35050	18148	5201	18954	16817	7795	8362	8083	7963	33279	31518	18286	3881	1527	34428	20784	33712
fucose	Fucose	159601	165359	159035	150133	155948	159797	10901	168369	155512	166799	140681	174541	38078	177695	423759	203933	113957	214079	339025	645797	277697	517493	675246	414256	388949	130332	66225	390239	13754	102646	265244	39157	339844	28933	22008	154060	279835	490312	278540	168036	311655	216610	330499	670008	797361	244978	372133	247154	442410	214475	156604	14051	267024	13437	31458	21444	4802	352169
fumaric acid	Fumaric acid	2387	2393	2259	2247	1762	1990	1968	2240	2036	5612	1817	1860	2573	1687	3529	1963	3509	1864	743	1525	1692	5537	2078	1637	1227	2262	1277	598	660	1021	2021	847	603	501	531	1872	2226	2554	2288	1137	7853	4855	1551	985	1471	1878	983	7328	1464	2782	6191	536	1383	1315	8526	852	306	491
galactinol	Galactinol	39319	41384	40535	44848	40915	41641	6472	40674	36801	38062	35062	6178	6024	2904	6237	3010	9905	3444	5790	88716	88127	147315	171819	183713	86954	180123	540269	1419	1120	847	627	1314	1751	533	303	3319	5537	5397	16399	6289	5250	4795	2132	169224	175088	102285	131592	118677	101829	43548	152139	3045	790	4321	181193	1503	387	2423
galactonic acid	Galactonic acid	1226	1253	1091	1042	1052	1013	382	1087	947	1044	821	637	1644	699	528	627	748	1273	712	926	2440	660	2359	5122	8829	9185	1836	1466	1440	375	550	1330	3305	1783	1440	1089	764	437	494	860	266	590	854	2887	18552	951	1073	9692	3326	434	1002	2710	1878	823	351	659	1051	3667
galactose	Galactose	94587	96209	92682	84662	90191	91431	2812979	90956	79453	76224	83812	76024	58799	172331	115704	98983	119569	205542	200429	557005	77977	466552	240852	417031	492495	61482	201573	185528	153676	84282	70508	130925	28946	94748	27179	140819	136597	232322	79121	135744	107679	81531	310444	153742	117076	132252	1334534	97578	155335	66692	167502	110909	156160	5797	119871	627918	318052	39087
galacturonic acid	Galacturonic acid	9916	9827	8495	9106	8352	2605	1285	9173	8329	8436	7734	14566	12937	13622	9209	38372	14256	20705	15070	10903	11213	16651	945	16321	11421	11153	2037	29129	44561	4656	90873	46785	89928	17261	6151	20587	45722	12454	15956	12348	8413	15381	41436	17469	14510	14913	26355	10960	11532	814	16475	12130	55205	7806	1500	80200	4727	87835
glucoheptulose	Glucoheptulose	7788	7816	1713	1424	7557	7860	486	8193	1607	1849	1491	691	1062	3330	956	1852	5819	2962	3139	1922	1725	2622	2376	2837	2749	1448	2331	806	928	505	1882	604	1000	550	435	2383	1998	2055	7709	3393	1241	997	1787	24073	1823	7571	1424	2537	2996	26014	3638	285	1754	362	3896	1984	3727	1463
gluconic acid	Gluconic acid	1243	1384	974	255	1078	1122	307	730	664	1238	971	295	96	70	161	77	108	90	120	5154	3022	2699	2738	6242	10890	10863	1920	4771	549	501	561	5604	3917	1317	1506	156	236	82	128	82	257	264	54	3166	22698	1621	1211	14955	3741	487	604	3023	2148	330	391	660	1229	4305
glucose	Glucose	284011	288050	290470	258501	271265	288652	824460	299533	300091	309256	278941	106516	226150	501235	909618	258802	590176	521479	1351198	611966	624041	931070	230978	1156922	1028827	1038843	949053	250039	359170	207810	138426	339503	428603	105846	28170	335974	379239	1055181	1288813	525812	1497093	1072544	233474	530397	246586	519634	1089684	1037319	585708	271734	440587	116494	221710	49105	23470	625963	341553	428427
glucose-1-phosphate	Glucose 1-phosphate	2114	2287	2161	2310	2039	1488	2667	821	1987	2021	1485	2114	534	1244	1202	1260	1599	674	1485	1854	2288	2725	2883	3064	2258	3405	2260	6374	2648	1225	1382	6077	483	820	1199	1361	2549	1927	1540	3806	2618	2034	1152	2675	2159	2872	3160	3114	2436	1573	2149	1865	4097	977	30612	1589	684	1047
glutamic acid	Glutamic acid	116287	127442	128636	140491	140581	137109	31071	141215	150821	157222	131989	68556	57438	74502	103534	62365	51841	97834	59608	6033	1840	2505	2873	2315	17645	2772	2260	34287	102951	13100	287512	149482	239110	43041	198494	65656	89891	43917	38551	50732	56776	93444	104613	6251	1579	6586	2354	527	11174	30377	163539	34815	198917	396336	124382	130359	151734	280191
glutamine	Glutamine	2795	3172	2754	4912	3501	2933	85317	2551	3870	4215	2769	1720	4922	3464	2238	2069	976	1961	1739	995	1581	665	813	693	824	4070	752	533	3170	412	10919	495	311	558	2677	182	1317	1822	2281	832	1738	3709	3282	1195	937	1289	516	577	916	825	930	517	1989	2254	5720	1742	1477	314
glutaric acid	Glutaric acid	365	302	405	262	390	428	414	381	425	469	375	720	617	312	136	397	396	453	241	38	64	62	44	72	60	58	28	275	455	423	334	342	224	1330	832	664	126	351	320	315	138	190	143	141	59	69	25	68	60	60	322	373	1099	503	132	217	1038	215
glyceric acid	Glyceric acid	17966	17673	16584	15021	16397	16701	3789	19685	17152	19304	17072	4005	3849	16681	9936	9832	12686	8629	8073	7349	5270	7927	6722	6370	9690	3862	16574	25291	62461	13994	37991	52813	40489	13175	25096	9532	9385	18504	14705	11613	13329	16530	17129	10041	5539	3644	6247	14595	12875	2383	13628	17504	54022	16472	3884	57959	56939	39141
glycerol	Glycerol	101531	106755	97129	88104	101684	102358	53036	112993	101260	105529	99745	50160	33773	28090	67780	91922	57296	33218	64601	46110	66203	48311	39034	50536	49250	54150	91177	212094	285827	365554	30891	170756	127936	342217	133668	53949	84263	99678	84164	74996	71679	100115	48152	64086	32560	62680	50728	65260	55691	37430	76670	387739	149458	82666	103023	223523	192482	118489
glycerol-3-galactoside	Galactosylglycerol	20705	20093	27837	19534	28221	18693	890	21592	19507	22169	25761	3388	8507	5662	83483	20522	17957	10967	80180	42390	90655	38946	9118	56021	60353	92302	108267	22728	36512	64046	865	31896	24510	8510	8984	9295	23058	61703	53956	13261	89999	110686	2827	33063	15345	45214	120147	114132	47331	11173	70126	36417	24596	7991	8251	61255	58838	22132
glycerol-alpha-phosphate	sn-Glycero-3-phosphate	807	1256	1342	1464	1279	1642	1796	2012	1486	1972	1775	750	1543	2571	3125	452	1529	3030	1443	1614	1924	819	1437	721	695	348	773	507	293	371	489	317	296	513	561	725	3195	1141	2947	2209	4122	5243	893	1299	555	1136	2239	1142	868	944	1208	202	341	714	6820	406	364	206
glycine	Glycine	82965	79738	74683	68159	89631	74907	217580	79790	84768	77469	76802	39968	56196	33774	60163	32977	41806	69952	67070	87281	46006	62549	71355	28877	75425	49504	38760	49043	65844	50571	184094	93517	146198	74975	190263	67121	44746	33497	30976	53196	52163	52070	51181	104091	84787	69608	38648	24146	58752	102291	76833	74065	74963	244148	60561	69685	204735	157064
glycolic acid	Glycolic acid	5409	5421	5041	5066	7632	7166	6529	7973	7512	9871	5626	3859	4377	3820	6027	1138	5359	3706	7007	4352	6231	3753	6651	3602	7949	2815	4059	5529	8140	3041	7547	5198	6184	4557	3945	11777	6172	5520	6265	6468	3970	4987	3902	8380	4042	7714	3107	2160	3932	5365	7896	3455	12431	1471	1996	7646	6754	6907
glycyl-proline	Gly-Pro	5526	2221	4747	6085	10207	8152	160	5524	9767	9088	3627	14902	20913	8252	8381	2966	5341	8948	2732	6751	545	5685	8804	911	11664	2972	1132	7917	12400	6442	3138	12981	5277	5222	13900	2828	2155	6873	8017	5873	9855	4944	4266	2837	3067	2795	5907	3908	2795	6528	5358	10997	13387	5952	2690	21414	23471	5870
guanine	Guanine	4951	5273	5507	5008	5435	4854	235	6851	6420	6926	6669	7159	11739	16386	12851	5878	11262	9748	15067	9709	6934	4272	5448	4071	2516	4496	11452	414	1181	1233	8215	3651	526	820	2136	22880	6747	6173	6110	7502	9714	7095	16543	16391	6537	8756	6442	4444	7879	6282	7017	941	1243	1395	928	517	890	600
guanosine	Guanosine	910	831	860	777	453	849	473	950	814	980	566	92	283	203	913	433	399	471	837	1231	1332	750	475	774	451	253	2261	33	46	104	233	40	12	118	27	312	357	941	1270	428	3562	1488	359	1214	259	527	841	916	967	309	1978	37	38	69	134	29	127	23
heptadecanoic acid	Margaric acid	15018	15304	14232	13737	13773	14273	17756	14897	14775	15828	14730	18932	17387	10036	9202	13528	11236	14214	8116	9407	14199	5931	7286	7830	8869	8181	11451	11360	7148	10775	10709	6240	6818	18780	8674	15584	10996	7490	12878	19991	9323	13906	13358	11841	10741	9978	9543	8889	9823	7173	3674	30795	16028	8064	18503	2218	7690	9876
hexadecylglycerol NIST	MG O-16:0	3115	2945	2724	2537	769	2861	254	2955	2511	3040	2623	3143	2576	990	1647	1484	1447	1571	1345	4296	1841	3439	3403	2978	2906	2326	2767	1531	1736	1288	1969	1117	2380	3938	2423	2935	2097	1575	2629	2845	2264	3580	1259	3037	6401	3556	2705	3465	5698	1646	2902	3946	4599	2173	1594	2671	3141	1826
hexitol	Sorbitol	2069	2513	2620	2398	2410	2441	5444	837	1204	2589	2322	806	411	1112	1927	732	9031	1067	14208	4321	3280	7747	4039	6721	5300	6092	8735	2619	514	2774	342	508	61	428	220	656	1649	11431	17573	5709	2638	2286	194	6486	4708	4839	2621	2365	5663	3744	6580	1526	496	1746	1594	10761	4612	4411
histidine	Histidine	16535	21147	18203	23092	24900	26770	24207	25771	29954	14442	20216	2886	4530	5372	9898	1574	2726	4029	6436	10273	2795	12878	28510	5715	43226	13209	8665	9352	18156	965	23520	19862	15310	13782	20218	3157	3772	8086	5270	1418	3392	24092	7749	31911	11050	9254	4125	4067	32554	45036	18221	11655	23094	37078	1538	25070	23502	17317
homoserine	Homoserine	2621	2577	2677	2745	2328	2269	1338	2224	2146	2118	1993	2443	1986	2392	2794	3479	2036	2832	2832	3707	1600	1605	1849	2098	1137	722	10762	1839	2248	2454	7154	3444	3993	3958	2228	3943	5142	2549	2400	3951	1903	2519	2716	2236	1642	1672	790	1967	3821	902	2413	2665	1617	6079	2046	1346	3677	2571
homovanillic acid	Homovanillic acid	1083	75	87	965	76	100	103	1168	1169	1151	1300	104	125	112	57	91	1407	114	107	36	25	53	57	21	44	20	43	88	1653	219	69	2314	78	88	133	95	67	116	88	142	902	738	119	64	118	61	22	71	24	34	26	101	57	1127	109	969	26	51
hydrocinnamic acid	Hydrocinnamic acid	14667	14171	13215	11988	12619	13784	5115	15148	13416	14921	13019	17329	1495	18531	18935	29233	1005	16212	620	3260	14629	2797	1963	2341	7975	4772	7172	2895	475	308	5569	3146	3181	6430	6511	28311	8979	929	11059	7042	623	18590	17163	4421	2901	5787	5037	7836	2051	4069	6031	6659	4104	569	6563	1504	83895	310
hydroxylamine	Hydroxylamine	55417	86096	67121	65712	39888	48451	169869	66973	50174	21854	64047	151152	178962	81679	68449	86549	137776	78395	43506	14661	70827	53374	76184	73211	53812	58078	48873	57576	54804	320025	67343	56472	37315	145782	18465	83493	83987	75681	72882	135168	29387	53805	45029	35926	147520	88775	93634	65243	30083	51984	46481	117983	61564	13419	190721	41308	15325	30053
hypoxanthine	Hypoxanthine	11813	29325	29959	25794	28923	28060	567	31403	29015	30399	26614	19740	15588	54943	17169	23266	29985	37666	32665	21904	15216	17950	16939	16460	14168	13100	25573	18090	38201	33982	151377	89771	23224	16923	59725	60443	21902	11868	17908	14941	22734	22926	38702	29934	13236	16669	20428	18537	20922	14915	19004	27213	16453	39575	4079	7762	38671	77437
indole-3-acetate	Indoleacetic acid	14541	16117	15084	14752	13998	14488	480	16308	15222	16225	14511	15980	22544	11445	26685	7780	9514	8000	94057	810	761	541	1157	831	1795	1184	850	6967	21323	15209	9315	7171	22835	18926	15196	23042	4171	9492	8171	125618	3110	3932	12628	1364	738	11089	728	633	1383	448	3738	27026	31504	40844	168850	19864	17204	22240
indole-3-lactate	Indolelactic acid	88708	84830	83973	76556	83077	80490	2091	79888	81394	12044	7174	115515	127305	78576	45177	34669	83116	89185	56544	6037	11123	6064	2893	5769	7438	8398	8540	19883	18091	13775	1288	13492	773	44962	33647	128029	67836	56542	7536	81099	13485	44176	80334	13075	6111	8155	22490	10349	5801	6087	4437	54443	9256	1516	2372	16540	5311	836
inosine	Inosine	685	572	261	531	706	716	2968	580	781	563	355	104	136	68	586	290	93	276	431	1757	772	803	496	697	762	297	1747	24	77	152	186	69	332	47	55	162	84	225	540	135	2590	1308	272	665	313	795	1343	920	1122	515	3561	66	22	99	132	64	105	247
inositol-4-monophosphate	Inositol 4-phosphate	186	218	195	214	170	156	100	202	189	275	149	401	846	477	109	239	364	278	169	56	96	62	39	75	78	46	79	124	317	208	1218	293	245	631	402	159	161	233	262	759	227	403	393	54	113	126	66	56	94	55	49	167	665	755	148	167	163	226
isoleucine	Isoleucine	303802	305350	299760	273205	274368	255786	246682	294967	275162	281554	301838	197433	193484	240910	123176	265628	108846	181854	120659	225736	241132	216948	373779	115138	191049	99385	138717	209678	328602	366244	730590	431999	482962	354887	710116	148609	155691	133453	69708	156447	81901	112875	313603	285022	469941	156981	69587	77571	363582	201026	293393	383756	343275	885992	161207	322716	575700	411894
isomaltose	Isomaltose	106291	95867	101678	99796	102385	102660	752	100908	89484	98435	88237	1213	1311	7588	471800	5639	33066	26818	349226	550781	452588	489931	30716	629755	615868	825473	722299	6277	10843	12008	1232	11921	17776	1694	916	7060	17551	123540	181263	16346	482852	191218	1628	165809	50163	236357	703886	748458	229367	55771	188081	3610	10975	2366	4484	54888	36124	17925
isopentadecanoic acid	Isopentadecylic acid	46505	50945	51432	41358	47686	18653	9510	55458	51382	46127	49782	44325	47233	16489	16585	36221	14689	15000	8419	6904	66562	33660	1673	18217	34633	766411	30538	11361	61793	7307	16554	10057	34836	84652	55989	20422	6576	19282	8403	44308	16941	38161	40166	17766	1627	2068	16377	5046	9878	3338	5192	144725	85196	65848	707919	35116	65180	21866
isothreonic acid	D-Threonic acid	1584	1640	1624	1475	1159	1366	1639	1636	1636	2011	1528	669	795	1579	1080	914	1456	1941	498	1863	1269	1186	1235	1102	2078	1771	996	1249	1592	520	1457	2386	2997	820	58	609	1821	1097	788	866	1996	2319	629	1759	2291	1010	554	871	2141	973	1380	647	2620	1084	753	1681	3488	3182
ketohexose	Ketohexose	482	779	704	687	550	795	172	845	737	1137	660	234	665	407	382	415	521	663	556	1254	1552	1148	853	1078	909	397	2141	1795	3688	1348	1452	3316	3670	3669	772	890	383	568	459	800	343	328	403	984	1597	675	641	802	876	399	557	2803	2602	789	2145	3200	1792	3903
lactamide	Lactamide	604	1004	625	761	1679	1703	2802	1880	1394	1525	911	403	155	116	447	1060	384	114	308	583	2955	413	439	880	541	674	3366	180	37	330	54	77	199	161	79	205	2760	210	216	507	635	149	112	1800	278	444	649	363	668	620	413	171	107	20	101	64	43	233
lactic acid	Lactic acid	739558	752388	704277	675594	939543	881819	1140075	739417	675747	427353	696979	269377	31013	24216	316730	1034220	155873	40097	149284	400074	1091298	290434	269519	823329	385713	366302	931266	149087	16707	18127	11859	30823	120774	96424	23852	76439	1403821	106160	134083	234739	357170	39839	10433	203153	182737	129795	614509	286087	638477	331811	379494	66901	33343	6439	32003	35473	40492	111809
lactose	Lactose	2829	2151	2443	911	2329	1986	185	2467	2019	2337	1913	365	1810	11813	174	3805	3701	9125	8873	9910	4027	8475	1274	18935	5635	11533	4523	505	514	327	347	1502	648	110	34	780	13300	1959	16654	16198	3487	14075	4311	2088	2146	1616	13302	16546	2428	1066	3717	1339	388	172	32223	2119	568	4321
lanosterol	Lanosterol	1332	1133	1067	1074	1060	1097	125	1174	42	1279	1143	117	4297	1321	25	392	877	1259	1750	19	504	1442	825	651	744	3927	801	47	2217	1374	365	522	28	3708	1105	1944	990	66	601	1519	63	788	1752	707	1774	212	696	471	13	1095	1684	328	2255	17	76	794	843	506
leucine	Leucine	433061	405103	439496	459753	277658	307447	226522	321018	300620	352890	512239	257794	227876	330041	160577	424595	157082	216764	139366	382127	311414	620676	773678	234771	320069	207491	319861	277300	315808	437204	574242	576145	546373	473515	768739	129545	249899	175318	122736	213106	93506	121288	391695	495699	683527	177702	217999	197434	652366	751153	548021	451025	304708	835333	216862	235556	634168	456669
levoglucosan	Glucosan	1463	1369	1410	829	1390	1297		1569	1530	1971	1270	214	157	430	1164	564	183	354	761	4045	1202	1074	1414	5101	1057	978	1357	13139	1429	282	652	1168	1118	487	209	497	1414	1768	1159	1090	1891	954	495	1615	1646	1750	987	1013	1946	535	1315	716	968	93	501	1381	334	1013
lignoceric acid	Lignoceric acid	2059	1012	1633	1634	1780	1519	627	1915	1614	1743	1658	5322	3801	2832	1896	2713	3503	4002	1544	3456	4429	3500	1921	3653	2998	2529	4299	2961	875	3824	1770	2313	1802	6377	1351	6574	5645	1403	1329	3608	1974	4561	1171	2057	4370	2320	2944	2312	2768	1326	1286	3881	4338	188	6006	3333	2337	2208
linoleic acid	Linoleic acid	43128	38578	40660	34831	37740	36246	1693	41183	39791	40533	30528	53382	14800	21810	23990	26909	20182	20383	11276	33855	32798	17387	21028	24467	19935	26484	29192	15778	8540	43944	36148	7180	10771	57592	10057	16268	9768	23042	44377	14881	15668	44156	20963	36347	33698	28528	36357	22952	35011	18714	15257	24100	11797	9952	7387	11675	5335	5977
linolenic acid	Octadecatrienoic acid	3280	4199	7489	1928	16443	3108	4203	4974	12486	37779	3693	47143	12257	19534	21721	9155	6861	17153	10252	3350	29735	16226	18709	21609	19232	23943	860	14240	6488	38567	9893	3491	8867	23485	4530	13570	4954	1030	18822	11100	15366	5693	18263	3859	7542	29347	31306	21087	3502	17101	15591	12989	9780	9319	4418	9855	5136	5362
lysine	Lysine	111040	155091	124027	182800	137204	171147	76055	169659	170970	174415	125299	35659	61815	70870	90086	17666	39184	54725	77876	38373	25009	24506	16019	47329	51412	13029	79861	212986	200328	14949	69556	149658	180190	193892	198366	25601	51037	106054	70951	20615	30418	115052	90584	42232	3880	12121	38742	26466	44712	50284	35708	150960	215707	317561	7753	272913	258433	169666
lyxitol	L-Arabitol	14860	17739	18294	17649	18639	16880	2351	16074	14512	16850	13616	4329	6983	24247	6897	5488	8917	1208	8607	22106	13655	16944	26042	1017	1465	16590	19169	14560	15997	8247	41731	15586	18314	11184	14633	14076	8546	13616	9854	10457	7445	7118	6013	16920	35627	37680	9874	10733	23999	9803	23924	8853	14610	49025	53258	20273	4238	17765
lyxose	Lyxose	33358	165750	159308	147329	35544	32462	1702	157244	149997	28942	32574	77082	230757	119562	86619	46791	399816	79939	95482	469	2789	1967	2241	3771	2799	2743	3253	356046	218014	127356	40954	154684	79493	58457	27721	149915	92404	766812	105546	99266	163773	52254	139175	2512	3582	2990	2246	2380	2829	1190	2314	55643	108354	4306	66252	252953	20501	80761
maleimide	Maleimide	2116	1883	1501	1764	1932	2202	10252	2932	2036	3073	1827	1135	1102	1881	2457	796	2123	1362	1093	4547	3203	1960	2099	1833	1251	4874	1696	304	375	353	455	382	257	187	1226	477	2406	1409	2657	2070	4190	4642	1174	1927	1049	2980	1370	2392	4882	2711	6578	471	664	524	1667	387	1078	291
malic acid	Malic acid	460	404	313	322	377	428	2423	503	332	437	364	360	739	848	640	286	944	549	180	93	59	250	132	71	296	204	122	384	249	134	584	650	808	309	242	303	161	277	313	192	1369	1377	537	140	301	139	67	250	98	70	300	303	762	1424	2628	525	155	1032
malonic acid	Malonic acid	171	205	114	132	161	119	53	142	51	181	103	207	416	279	54	164	178	300	43	54	88	91	24	94	70	58	46	110	56	111	405	152	128	191	165	370	145	102	100	176	37	186	147	32	153	124	32	67	52	59	63	123	113	259	1395	39	7	219
maltitol	Maltitol	1030	1746	784	1493	835	1525	1934	1297	611	1603	1589	1763	1046	527	4157	1600	3678	1920	2842	17846	1822	26395	2312	22360	23772	4043	4018	875	995	806	226	1158	1265	324	182	1684	6594	7321	14697	1459	6211	2189	394	12513	7195	3997	3830	2344	1744	1468	185497	423	1202	168	760	2476	952	1175
maltose	Maltose	77218	70118	68992	62325	74894	76864	3125	65956	62333	67298	63094	8600	85181	70696	286495	24227	215895	62228	262381	317079	136609	129121	68634	164433	265186	564137	113777	14396	6099	3353	18959	6759	24342	1981	1162	41745	47250	254897	331138	132918	399262	813240	8319	55645	84199	42998	328073	514453	55488	59150	242293	4107	7461	8658	1556674	26515	18993	16857
maltotriitol		1346	1213	1195	1004	1102	1070	116	961	781	3455	424	167	363	260	366	384	629	1539	2893	3011	4730	8369	372	13343	6646	8151	1626	25	56	93	72	33	20	104	24	266	347	287	3784	621	1455	7254	93	887	254	815	1904	15131	1081	964	1097	43	24	107	30	135	49	135
maltotriose	Maltotriose	4606	1976	1956	1428	1672	1723	1404	2918	997	1944	3844	520	1407	889	1486	334	230	836	2086	8548	4377	9116	2679	7810	17402	8868	6758	151	59	446	311	250	328	171	89	228	135	259	2244	1774	2410	6459	201	3621	1713	4865	9200	14077	2272	1756	7546	435	80	44	178	385	182	133
mannose	Mannose	155627	154857	153904	140934	149347	148652	119048	145536	144249	155094	139166	19173	15305	25557	24290	18243	27713	28198	23425	722329	1287084	12269	381758	712632	7671	11399	4623	53755	27167	41211	20056	31111	33141	41342	9097	37262	21930	33278	16515	28646	11606	20468	52025	14126	191229	7055	15091	1914766	9020	110731	263326	31918	16787	5672	2592	270390	20788	66209
melezitose	Melezitose	1228	1073	1092	1197	770	832	163	1078	858	1180	497	128	123	72	302	150	151	114	519	53369	3073	2855	4841	2340	3166	118812	2205	32	127	182	37	58	60	265	11	165	218	165	863	684	475	807	38	4303	8169	2724	122258	2808	60291	2755	58084	50	202	67	165	23	94	21
melibiose	Melibiose	411	1501	1589	1552	1972	665	107	753	741	1635	1372	56	80	70	2016	6027	70	32017	341816	16571	6941	9638	1841	9149	13799	14717	2966	222	202	182	63	260	300	116	18	64	181	480	165279	148	499115	1276	32	5219	2333	4680	15302	3970	5857	1955	5880	62	241	16	1175	298	158	341
methanolphosphate	Methanolphosphate	126	192	136	94	986	1010	4482	888	827	1233	950	88	224	76	1247	43	163	81	1177	656	1301	65	247	94	1103	1579	779	73	595	67	336	24	525	193	370	2325	363	44	106	180	1191	1662	64	888	105	1736	66	109	45	945	83	93	925	254	1566	711	339	381
methionine	Methionine	31636	30097	32545	35733	23986	23644	10268	23397	21992	19714	33727	37024	38665	61620	26070	36029	23930	45247	17995	36926	17948	31896	47084	13631	30971	16528	29023	349	1215	861	14286	3822	1605	159	10133	24503	30551	27405	25477	26444	14034	23835	63138	43755	54339	18218	14897	12699	52429	44411	56771	981	4026	42460	14502	622	18253	1537
methionine sulfoxide	Methionine sulfoxide	22811	26971	25609	29162	26224	24734	4031	29486	24707	39994	22918	8247	11515	12159	6964	8450	6937	13864	5264	3324	4374	4000	5213	2047	4393	2363	4604	37939	62982	20448	46184	74229	50908	18081	97485	14142	7636	7846	6144	8542	6890	8658	15242	7023	7036	4715	4214	2524	8935	22383	15237	29847	83703	149416	4774	80563	63925	59394
monomyristin	MG 14:0	855	849	682	692	701	666	107	761	684	841	152	227	566	66	131	125	242	513	290	125	94	108	103	106	89	103	71	23	68	256	86	45	32	254	129	228	244	85	477	476	78	101	167	190	57	123	169	76	128	124	98	257	48	24	71	28	36	18
myo-inositol	Myo-inositol	35884	36334	34845	32188	33631	33013	58929	35643	31949	35964	30699	40387	12444	8822	34209	33275	17115	22220	26080	73425	46365	75273	40890	68568	58223	92841	95278	92618	83699	33176	12821	38861	40523	60218	9246	18169	43351	22598	27517	23586	37296	19756	7452	60450	42629	56980	78663	47089	51494	37397	65360	37890	49903	9827	83590	74102	18099	40667
myristic acid	Myristic acid	4673	3369	4264	4198	4238	4547	8309	4249	4614	4787	3767	4843	4081	2879	2445	3055	2985	3036	2369	1877	1394	1137	970	1442	1678	1701	1449	2108	2077	2451	1722	1220	1262	5517	1774	3824	2494	2165	2553	5498	1737	3107	2811	2068	2174	2369	1468	1590	2012	1203	1098	7602	3223	1572	1139	1729	3325	1212
N-acetylaspartic acid	N-Acetylaspartic acid	6802	7386	7001	6148	6970	7041	693	6825	6622	6902	6357	2080	8424	31618	20650	13371	27244	25185	28875	3231	1142	4612	3793	3114	8600	2299	4737	35967	25110	17258	7725	19534	14659	6063	1335	36182	33618	35443	48966	35316	17834	29203	32512	3875	3067	9171	4530	4163	4798	1279	17103	8695	15826	1633	8129	26792	1355	15364
N-acetyl-D-galactosamine	N-Acetyl-D-galactosamine	28901	37280	37068	32542	33332	35639	436	36755	34412	39243	34029	34410	24604	59902	50976	55311	27786	68060	47108	19290	9685	28715	28995	11596	32668	19111	8317	62920	49185	40587	42778	50220	68297	64836	31346	62424	45312	89815	38869	53867	65976	26367	168189	15866	23530	55793	23651	31842	27439	26308	53663	60923	75391	23864	14021	108743	34885	73137
n-acetyl-d-hexosamine	N-Acetylhexosamine	3109	3429	3520	3526	3354	3410	523	3604	3359	3329	3768	1963	6048	2778	4624	3137	7237	8181	4439	12755	14758	4963	3621	5200	3986	6093	8265	8612	8119	8818	1579	10862	11356	5387	1580	9625	3295	4707	6701	5306	7443	7588	2843	6883	7422	2937	11709	7808	5353	1711	5511	9923	6868	753	1269	11337	4936	9759
N-acetyl-D-mannosamine	N-Acetyl-mannosamine	18860	18665	19481	15607	17630	18224	7629	19624	18140	19616	18118	13553	5384	33379	20347	37024	14780	20867	22102	12161	21461	35936	19252	29561	25888	32363	22826	23514	21256	16452	21235	25045	78309	36314	8361	43504	29373	36361	8430	15454	10031	21840	62826	40465	24953	13805	20820	34938	23224	10589	21148	44681	44695	5598	11514	41136	8570	67807
N-acetylglutamate	N-Acetylglutamic acid	526	371	371	313	465	437	147	418	450	503	356	428	248	411	189	133	396	415	164	171	144	360	183	166	390	152	148	40	77	238	118	458	580	383	487	618	260	152	223	271	337	673	186	426	250	715	229	269	289	551	790	100	1010	776	869	403	269	796
N-acetylornithine	N-Acetylornithine	2009	2491	2300	2492	2211	2216	329	2536	2152	2580	2177	2015	2071	2294	918	1228	3323	2445	1637	980	416	610	793	550	1422	367	3153	7395	3911	7478	1013	4276	4795	9217	2362	7842	1044	3124	1500	2010	832	2695	2014	1323	618	1209	405	577	2737	261	572	4744	3730	1160	77	4719	2286	4201
N-acetylputrescine	N-Acetylputrescine	2003	3085	1970	1571	1480	1620	16900	2398	2585	2643	2814	2810	11112	10697	4423	3932	6104	16746	9542	726	16325	24403	14704	11330	14415	6229	7940	6798	4738	3906	5218	4286	16440	44321	8574	31110	5579	6638	2015	9657	1849	7234	11478	17773	24537	51674	9567	3369	15201	74864	8637	7999	5239	3466	747	5896	36169	4049
nicotinic acid	Nicotinic acid	20071	19948	18182	15993	18406	17797	339	18797	19746	20294	19207	26467	35353	38896	12873	28545	31359	32243	24979	15622	7205	6294	5474	6235	14235	4828	5775	15593	19247	17845	6790	13165	13074	14820	11725	48189	25905	20944	29701	39031	9759	13448	31138	8893	7952	10020	7418	6354	15761	5419	6215	16530	14253	14470	90052	16341	15019	10924
N-methylalanine	N-Methylalanine	61815	56788	57387	58519	47798	48338	20655	50336	45825	51156	66998	39027	26195	15441	19170	71457	12817	12815	34488	35065	160582	29692	79310	45936	49607	26191	63271	19703	10301	24695	30240	32692	87651	69439	90598	10950	28026	15965	25055	35776	17476	16994	9820	105533	63136	160343	22490	9624	76212	30621	123444	43877	28441	27324	3309	5685	81509	69053
nonadecanoic acid	Nonadecylic acid	3927	3843	3868	3487	3415	958	1523	4126	3579	4270	3629	4147	4596	3006	3799	3210	4118	3464	4624	8846	3910	6744	5339	4881	6066	4313	3592	2436	1832	2577	1712	2007	3036	3858	951	4445	3589	3810	1881	4194	5096	5719	2519	6058	4418	7915	4999	4422	2134	6076	4382	3881	2282	1089	3808	5000	8339	2172
norleucine	Norleucine	1600	1479	1646	1743	989	1046	257	1201	1103	1295	1922	1412	8314	2772	2115	234	3020	6052	5063	26	206	48	188	115	93	163	102	1381	627	806	785	618	1241	4512	682	2744	155	3112	2152	4017	6040	2695	521	111	233	101	161	62	275	14831	71	1348	633	4370	61	701	1587	805
norvaline	Norvaline	6039	6176	5273	3494	4624	4119	1787	4852	4230	4946	7446	3951	19955	1373	2123	6637	4945	18729	19394	3435	1133	2199	8319	1882	3184	3721	3615	3058	1180	2822	1251	1464	2147	16974	10158	10774	790	3691	5506	6673	1477	4862	541	2725	8795	12507	1860	1641	5880	1036	6445	3165	1595	3261	307	926	9265	1363
O-acetylserine	O-Acetylserine	640	875	448	413	532	433	97	399	617	651	775	1056	619	1290	436	1155	920	742	268	1905	1892	2523	1955	1952	964	738	3203	188	50	457	160	96	98	132	135	956	977	1801	1496	725	497	572	1065	2039	1045	432	1901	2386	2175	504	137	188	133	121	76	44	269	51
octadecanol	Stearyl alcohol	1678	1550	1473	884	1428	1170	1276	1645	1416	1979	1534	941	2336	690	713	526	1095	843	656	223	447	394	474	337	468	752	316	589	1345	1218	520	451	816	454	583	809	902	441	575	2102	493	635	605	368	553	857	383	512	284	526	288	2565	1588	660	585	590	623	526
octadecylglycerol	MG O-18:0	9676	8208	8865	8496	9638	8660	326	9424	9176	9245	8482	8573	11379	3768	7054	4705	4071	4607	10798	26059	8552	10561	7493	9486	20468	21860	10691	4285	7783	3357	6536	3688	3151	10701	5579	9911	3157	3437	4289	7864	17466	9695	4932	9856	12759	10934	7821	21783	16541	6079	8046	23619	14010	6378	1878	5833	13833	2662
oleamide NIST	Oleamide	4337	4683	4585	5571	4604	6142	1044	5810	5388	2991	4864	4217	4105	936	8718	3414	11841	2449	5387	7287	3460	1156	8875	7545	1366	6077	4524	1039	2336	4125	1892	3655	2481	2468	1838	4521	4868	2509	4605	4323	2705	11197	4081	15531	1036	2114	3533	2109	4662	4579	167	1974	4138	593	2839	2407	6489	1745
oleic acid	Oleic acid	77868	74838	76860	67688	72681	72107	17794	72588	77788	84000	67850	72687	65199	23736	34126	42153	54293	80661	22901	35145	48344	13944	18787	25742	17801	32277	41788	28370	30004	51841	37168	23638	42739	106058	21756	65145	27709	27309	86288	55496	29746	61650	27811	50975	27131	35882	44308	30563	48058	1921	15657	77110	42971	23827	6180	46048	24836	32832
ornithine	Ornithine	59589	68608	65886	68637	68787	69656	118274	66648	67244	64651	61447	20177	45365	58455	17676	11811	16909	59180	32841	50325	75943	108475	104230	65464	54883	16082	57142	144798	88263	12116	38268	43260	85092	86280	69739	58943	24112	31209	4486	21576	5707	36981	60133	143131	115109	116496	48937	16658	85458	288858	45884	62478	62272	81491	5753	113988	151491	77522
orotic acid	Orotic acid	1129	1014	1004	981	1014	1156	210	1455	1267	1477	1081	1121	2757	1356	266	201	914	2660	780	341	171	189	356	190	121	179	161	514	205	843	4317	1967	1228	3032	3916	2013	557	201	176	1843	368	1324	1042	403	397	370	41	221	228	185	602	1348	2352	1578	1231	839	1566	1394
oxoproline	Oxoproline	287942	302950	302406	294547	267978	285905	192339	307017	275684	300891	273627	113025	124348	325950	373569	95175	262689	196110	176403	321233	256323	235813	326088	379503	357448	699905	407501	51220	87685	29559	178664	101958	96492	99928	96954	99507	200357	210815	165996	373942	530227	252423	146971	325183	262850	393315	354887	213701	460655	176384	424637	67070	82010	234277	373526	114784	90484	77015
palatinitol	1,2,3-Butanetriol	3550	3643	3923	3673	2531	4355	5999	3865	2526	4399	3431	669	355	215	6461	757	1459	695	4400	18437	13478	6502	9577	12691	16973	18259	9780	72	327	152	296	145	314	334	941	355	1272	3536	6288	2492	7263	4529	176	11971	9241	831	25934	13241	11583	6835	9923	184	166	126	3571	272	946	337
palmitic acid	Palmitic acid	157103	153071	146858	134204	143883	147037	100167	144892	156514	168195	141165	146473	150962	92206	99320	101305	101679	126580	75430	78885	125924	49938	57518	71981	63056	86295	97021	79163	44783	123057	68514	54331	79630	154905	48251	126082	98296	68671	122217	134295	73007	136836	71527	94011	82536	102826	93816	92410	80567	51151	37099	124991	99339	39283	46555	78687	62199	81547
palmitoleic acid	Palmitoleic acid	4202	4321	4562	3711	4042	4388	1069	4685	4120	4612	4304	1974	1660	374	744	1008	1267	919	492	1047	974	61	408	570	597	1197	991	741	1241	1563	1527	528	1290	3349	1304	1285	435	562	2500	1251	694	1597	663	1388	406	496	968	692	1279	680	679	2702	1743	284	167	1491	2172	1145
pantothenic acid	Pantothenic acid	1435	1903	1778	1593	1450	2041	197	1972	2011	2221	1785	2308	6817	2915	1236	2784	3142	5282	2899	613	657	433	652	648	1094	1045	161	2396	4238	1816	939	2194	1356	4699	1984	4913	2362	1732	2543	2728	806	1845	3307	838	1226	664	215	1538	460	160	211	4529	3354	2763	138	2733	1872	2319
parabanic acid NIST	Parabanic acid	1206	1343	2017	2749	1001	1436	1511	3560	1462	14669	2879	1360	1273	692	993	766	2234	778	608	551	1412	418	1364	639	622	955	1168	483	810	731	2516	1919	4370	1150	1771	1005	2010	1051	582	2483	2861	784	743	790	1928	897	1023	651	775	590	1009	691	1226	2449	3769	586	951	3197
pelargonic acid	Pelargonic acid	12029	11258	12988	10761	16881	10805	44059	15928	8820	19580	8360	26390	22771	16098	20488	12374	27168	16129	13551	8196	13822	12722	11057	12222	10428	17712	12074	5377	8152	31839	6145	6716	4260	11686	5985	39654	15957	18163	19836	30937	10681	9886	15044	12805	13646	22116	10258	16021	6813	11789	8471	13792	11622	3812	28324	10441	3052	7564
pentadecanoic acid	Pentadecylic acid	27093	28365	28141	25932	26675	28463	31334	29916	27879	28575	27953	27449	31816	26173	34930	28229	22762	18180	37495	25282	16315	19113	8665	25698	23419	25701	30044	21244	34338	20299	41848	17766	27124	51697	35659	20942	16755	29654	39712	45644	43740	42160	38684	15673	12370	15598	23437	22616	16970	8215	10956	108756	55585	33223	5315	35696	40932	24761
pentitol	Arabitol	499	629	523	573	547	725	60	850	596	825	520	61	526	97	376	333	288	329	537	859	352	551	850	659	840	539	754	2259	1861	1003	48	331	273	246	113	191	500	541	654	255	501	529	533	596	1406	892	329	530	402	297	680	869	1498	283	16171	2119	571	674
phenylacetic acid	Phenylacetic acid	14537	14517	13950	9867	12425	13024	978	14429	13363	14315	12959	26748	34571	8688	2707	1834	6998	10209	9249	136	117	124	340	224	1893	1188	97	9678	12864	8960	1587	5515	8798	13867	11223	15171	515	3220	2548	13214	1327	4036	11565	1954	2970	38037	111	111	385	343	5972	15681	22520	3415	399	8055	10394	8271
phenylalanine	Phenylalanine	135101	148476	147339	128692	144598	139966	81198	151429	145910	146919	128841	95075	93912	90026	87685	147912	53618	89796	82806	141931	139728	244268	218251	86190	148989	64000	104457	77258	106345	89346	272858	151036	137046	153926	269271	107745	58102	73249	55609	67598	55624	77140	115497	233132	284387	179240	97689	92499	236599	565074	214533	130286	199121	305192	62932	117820	246658	149285
phenylethylamine	Phenylethylamine	4197	4864	4403	4384	3326	4038	172	4813	3910	4231	3823	11905	1209	294	274	17534	408	244	165	167	107	79	193	123	112	148	126	1156	301	2852	598	1106	4134	8417	11958	269	2071	827	380	945	251	135	215	150	135	219	180	133	223	232	90	10429	7029	319	247	977	5513	6802
phosphate	Phosphoric acid	1686	1796	1517	1495	2496	1426	125345	1649	1634	1839	1550	5725	8304	6991	3983	4823	5050	822	3575	3059	11718	2988	3498	4189	1678	4244	9669	3766	2055	3713	9681	2955	2663	5858	3255	6063	4991	1041	3628	5466	3857	4711	3223	4347	8080	4006	5374	5270	3135	3216	3276	6317	4910	7154	14786	3123	1513	3817
phosphoethanolamine	Phosphoethanolamine	207	265	269	302	173	232	533	383	189	290	307	369	705	399	273	192	387	255	158	81	105	53	100	89	89	119	104	54	229	163	492	246	321	147	387	231	451	202	56	331	195	368	249	79	391	145	151	88	132	78	56	283	449	425	564	380	264	181
p-hydroxylphenyllactic acid	4-Hydroxyphenyllactic acid	6504	7376	7702	6682	3015	7384	577	7845	7806	6712	6734	2197	3283	1153	3770	6357	3626	4002	4428	6688	4189	2541	2472	3145	4035	4157	2765	4609	1134	2291	478	996	2173	5019	771	3348	12311	3850	5704	5155	5455	3210	581	5993	5079	4621	5878	3791	4899	2300	2725	1431	1347	405	470	1560	1686	2022
phytosphingosine	Phytosphingosine	2985	7452	2793	7245	8080	8159	476	4414	7416	7722	2885	7522	14755	2340	4419	1491	3329	2557	3291	3538	2122	2222	3232	21300	4121	3101	3360	5029	3441	1481	1829	3480	2095	1040	505	4656	3361	5070	2903	2051	1642	5086	5101	3076	3569	3587	3023	2434	4287	1298	3799	5558	18057	1234	2221	7384	7295	2926
pinitol	Pinitol	12702	12908	13020	11819	11907	12686	135	12774	12244	13801	10769	3026	8336	25925	20692	1647	2898	2866	13699	52005	18379	33931	39680	18913	47116	38806	13604	517	475	6264	1721	979	407	1122	230	1109	12262	8808	5358	5296	10700	4265	837	24415	63851	65386	15375	12036	28218	6574	36532	513	805	87	1065	5803	91	468
pipecolinic acid	Pipecolic acid	3159	2130	2693	2343	1629	1120	683	677	912	582	3531	3134	5968	2104	737	1367	2752	836	1008	3984	564	2004	3508	1489	2076	5562	1332	893	788	1990	896	1516	1386	2060	1218	2842	624	2541	3475	2706	723	502	2120	911	832	700	1534	1272	2213	161	582	3335	2014	3044	142	410	1408	419
piperidone	2-Piperidinone	34524	25675	32965	36039	16862	21275	135	21834	17544	19301	36932	38784	31923	9471	2439	44302	8049	8607	13409	923	883	1000	827	422	958	1152	493	23353	11239	32615	2758	26269	28749	45695	106252	11372	9885	9058	8815	40858	497	371	16013	1487	734	2559	424	453	862	2748	742	18917	7067	96695	6685	2977	53429	18018
proline	Proline	203349	169264	192712	190452	118027	126929	70996	114081	125210	126915	225706	153214	310636	280431	114191	74190	146929	236514	58991	319350	56102	391959	518297	138061	229569	106447	125194	220485	238975	201810	228618	444601	543447	460126	446411	188957	71662	55101	118931	53836	73004	92519	240296	141861	246345	44542	209473	177056	200093	307350	205450	301597	160064	601531	78842	188025	381112	385606
propane-1_3-diol NIST	Propane-1,3-diol	2986	3743	2703	2741	4478	4247	1329	4492	4559	5221	2593	1781	593	482	15239	4042	880	426	1335	13795	5933	8666	12842	12350	26363	12074	3684	1115	186	791	214	174	504	1203	208	1288	5779	708	2511	2962	5442	844	272	20201	9684	16029	14792	11063	13859	4117	10635	467	409	99	341	238	258	502
pseudo uridine	Pseudouridine	11796	5649	11608	9230	11702	11123	8444	11739	12345	9353	10529	5779	4612	7669	4677	6588	6261	6830	4534	2340	1691	1056	1260	543	6227	1963	1881	1266	3108	2926	6628	6752	5971	1961	3704	8461	2657	4964	6524	7804	3347	5921	7388	4963	2691	1651	777	2338	5298	679	5038	2529	3058	9078	26232	3163	4485	5445
putrescine	Putrescine	172440	197839	173270	186072	172877	180899	7231	183037	173459	172612	170364	574481	1380413	340639	146477	720211	97835	310495	214867	46251	31603	29577	27370	102805	30528	52775	84109	11066	78420	48340	21223	73620	155528	18990	212790	44868	291593	178362	179021	81489	61376	46794	363883	37110	56130	165128	121798	28669	111032	207557	43217	485041	128425	273762	6192	201011	294597	83633
pyruvic acid	Pyruvic acid	5262	5797	5189	1305	7742	7837	28613	8057	8360	8570	5509	19684	4337	8419	16414	11352	5816	1844	3738	4963	12782	7860	3418	6285	20148	13072	7628	676	904	847	3736	925	456	1470	3135	9757	9423	10651	5119	6377	12585	3534	5698	23940	11759	7540	3253	5948	28372	1509	48246	1085	1588	2230	1680	489	1792	640
raffinose	Raffinose	19237	15599	16048	15389	16725	16137	357	15767	12333	16720	15836	259	488	537	158	117	402	462	424	67	113476	62312	69315	60999	69489	75282	132239	67	24	82	28	44	24	98	25	433	115	105	1553	432	1153	4841	128	73745	34961	338	65	103722	66	35802	218	644	37	28	204	69	45	84
ribitol	Ribitol	8447	3892	8655	9532	3759	8753	925	9895	9417	10905	8317	6081	4020	2753	13864	9011	7118	5403	4030	20432	12808	3759	24813	13999	5454	2269	3104	16882	13360	5859	5194	14260	14060	2571	3912	4873	9139	16764	4190	5514	4076	11088	9728	5702	6506	5412	12468	2195	7816	4696	8333	4379	14988	3558	1355	17135	7671	12543
ribonic acid	Ribonic acid	1477	1030	1490	1984	1709	1847	348	1860	1731	2428	1725	439	318	252	1066	429	818	430	562	2862	794	1518	2090	1688	2221	2439	1412	6945	3493	382	1238	7259	2997	1350	668	445	2825	1065	1284	605	1671	1931	365	2243	2613	2491	1544	1302	2738	1109	2197	2006	1703	1644	590	2089	4658	3208
ribose	Ribose	54755	57957	59127	54513	59846	57506	14164	59273	55701	53657	54637	96457	95705	215117	132985	67189	150168	182174	156447	44831	41919	42770	32897	45394	65871	25322	62029	95004	152477	121991	90126	95603	61495	26909	11367	315815	111698	121918	142509	148092	99377	83640	238332	49689	30811	60878	47700	44306	54795	29066	43598	35893	84677	14705	71302	172237	35762	68863
sarcosine	Sarcosine	11829	13672	14232	10928	14543	12123	132435	15399	20941	17138	15072	20931	21041	16803	22777	13221	27862	17745	35631	10612	19022	14433	15030	11779	16429	1832	1955	8657	8297	13798	4397	6672	1688	11371	4238	31346	21148	11443	40360	28602	20264	36255	6223	13369	13831	23071	10308	14928	7554	21486	10193	10368	12486	1185	10729	8176	4087	6016
serine	Serine	101286	107907	97913	69738	112135	106163	134814	126450	118215	111798	88863	56311	39429	58426	61183	66988	36208	38195	43451	35872	37488	43141	24351	19488	51189	13553	37775	96671	119563	71008	281293	147564	168746	97971	140252	73721	65764	48848	23278	53329	32838	41623	103188	76054	38337	38089	25985	24894	51551	102260	122063	101994	166819	145424	111429	172973	230379	191125
shikimic acid	Shikimic acid	3065	2943	3202	3022	2660	2686	1508	359	2965	3391	2695	1445	1580	1844	2340	1476	2749	1777	2485	3597	2708	2756	2961	2748	1254	2535	337	2091	1140	2499	1040	1546	999	1411	1482	2259	2119	2056	3401	2174	3797	3957	1899	1359	2548	4070	2804	2325	3397	3394	2569	1447	1348	687	2568	2465	1074	905
sinapinic acid	Sinapic acid	4410	421	3586	3503	4472	3887	229	4033	4139	5173	3508	5892	1447	1836	4536	4930	3090	2837	5105	1735	273	925	1046	1201	674	1637	1098	3509	1025	1233	396	1065	390	1295	414	1802	7393	5684	7318	9348	8922	15261	3992	452	1452	1497	745	1104	984	557	870	2054	591	198	559	1402	333	406
sophorose	Sophorose	8099	7284	6927	7048	7210	7571	285	7676	6294	8184	7111	444	1113	1141	35685	1098	4430	4226	28925	47896	24927	32685	946	46915	55539	71190	37492	464	598	906	218	771	1388	218	81	1554	2065	10699	15048	2870	41523	20915	307	14287	1913	12940	45562	72619	16830	7714	19326	386	565	133	816	2443	2746	1168
sorbitol	Sorbitol	17893	20806	20220	19146	12025	15418	7388	18219	12733	20047	15616	6682	6313	7859	11968	9499	13021	10913	21106	54154	4682	36389	36586	26596	21805	35745	42597	6169	10710	2644	17461	11296	19036	4711	3196	2276	14195	9152	19407	12118	20067	6230	8466	29424	27633	13947	35906	28723	42849	23161	33281	4329	12453	8054	18027	15301	20600	19096
squalene	Squalene	5122	4292	4546	4297	4713	3965	244	4831	3699	5296	5047	1693	1545	800	892	1359	1244	1362	700	2756	1654	1104	948	1431	578	1637	1992	2058	1124	576	1264	737	1649	2014	2823	2345	1251	611	1338	1358	567	1974	540	1294	1335	1347	1663	920	2539	533	1290	3122	1687	1995	6279	2203	2935	1384
stearic acid	Stearic acid	667074	663167	615233	574879	630380	612305	649774	669663	687350	748603	604891	928793	872357	522648	530044	569157	640770	861623	411455	456459	876257	398478	368591	524403	387679	454961	685005	491947	270644	717269	368361	303801	357135	747604	277720	801601	636126	364436	593024	750560	451273	696439	396032	505137	603182	625233	555199	603049	505561	405966	247816	710543	600797	212644	256299	403472	313934	437019
succinic acid	Succinic acid	147447	148149	147534	129898	138262	134919	2006	163833	162568	167880	149345	62820	429462	79696	344648	127721	691397	708079	14243	56521	42632	31147	40168	37088	74389	96357	25669	65677	6932	4482	4961	11190	30757	10212	3020	20168	117121	59730	286826	882	1122477	999808	21110	67242	7555	57508	70449	24104	30157	107389	38646	9082	54243	3496	5481	65270	1337	29516
sucrose	Sucrose	2824	3150	2684	2477	2586	2798	144	2895	2592	2824	2616	86	382	252	909	155	172	244	1293	9670	7501	5987	2209	6061	19702	10945	20962	148	413	282	103	36	337	71	18	1002	297	1565	424	577	1405	928	28	5137	7136	9723	11014	12287	9118	10028	9206	32	156	126	358	185	98	440
tagatose	D-Tagatose	616	642	704	687	735	865	166	769	702	1058	627	234	547	407	382	415	521	800	519	1290	1634	889	946	636	909	359	2252	2245	3788	1400	1292	3321	3881	3418	388	973	383	560	459	762	343	328	354	958	1597	675	317	798	940	399	602	2655	2633	507	2145	3561	1742	4101
taurine	Taurine	2290	3104	2149	7530	1461	2166	260	3799	2967	4668	2852	853	819	3204	2567	328	1054	300	2349	1567	445	1845	4657	2065	2086	207	660	943	678	1207	775	2243	4157	843	2780	260	1302	304	1867	942	2998	2645	2425	675	237	349	596	3026	590	12	382	867	578	5222	386	2758	1104	2664
threitol	Threitol	2183	2360	2456	2102	2409	2286	583	2580	2469	2534	2277	2184	12158	2944	2588	1822	7051	7634	4559	983	755	783	1212	745	1062	677	818	717	923	954	300	1292	929	442	220	3732	3830	2844	5048	2338	5589	6459	3332	1248	2325	1232	441	438	1512	394	855	681	852	222	2898	2642	366	887
threonic acid	Threonic acid	473	764	764	561	679	729	5400	879	741	999	754	230	275	314	586	257	623	408	236	582	428	576	671	564	834	1191	831	1414	1231	475	951	1428	1925	778	591	358	684	484	554	438	1094	888	346	591	719	474	469	439	613	560	1477	448	2955	899	259	1063	631	1994
threonine	Threonine	75401	71845	77753	65609	75287	78292	50858	90946	86581	81099	72463	61622	45843	61628	59721	67545	49773	55926	38865	73438	32243	93748	82957	46399	61378	36339	57686	80278	72314	55239	110093	71578	31199	68030	58498	69605	78499	47584	28273	49160	35932	39963	92486	94868	87780	57230	52922	51110	65518	139471	70802	56757	90150	43578	83356	123400	54169	30358
thymidine	Thymidine	1701	1083	1532	858	397	429	163	512	745	854	1672	874	2245	8696	992	4425	1838	10807	736	742	1170	792	479	369	244	313	529	186	986	4574	261	537	139	340	621	15731	990	1251	3628	2092	1171	2430	4273	325	3744	1093	629	911	804	581	1345	311	182	354	668	152	158	122
thymine	Thymine	12373	12297	12802	10105	10507	10641	407	13396	11751	12502	12217	18295	11779	20623	7592	22382	12348	11305	4462	15524	14237	9143	10106	6191	10515	6823	10108	6835	10600	11830	16574	34624	5601	8307	19207	20919	8193	6630	5878	13712	6640	7324	14807	23212	16448	6350	5923	6283	19230	8809	16054	17374	7741	12101	7029	8142	8633	17700
tocopherol acetate	Tocopherol acetate	45120	38239	39001	40363	39796	39661	185	39951	37447	41228	39645	77111	83174	31659	19911	41213	33325	48877	24962	40919	39044	29886	13731	18453	28225	21282	23761	40257	45116	14659	34445	15891	8429	62543	74934	80576	50706	24972	38212	57670	14232	21802	23204	26607	31808	26326	30611	7388	26700	13053	18214	37625	39167	49492	4591	21316	21753	4296
tocopherol alpha-	alpha-Tocopherol	217284	194615	175827	191077	201259	191523	6018	196053	194677	213258	178023	333987	597664	316704	192949	131584	237378	333620	183658	211997	177379	242260	217940	175393	198687	254257	200116	130464	89767	144830	73072	73649	41129	254682	140516	401651	272632	165199	192523	321565	194073	318306	240221	174760	307894	323384	188251	187820	245770	99456	196839	180300	61697	79876	20770	106206	108234	27960
tocopherol beta-	beta-tocopherol	421	409	443	307	348	436	94	422	385	449	354	907	569	639	433	355	352	545	459	559	365	688	446	346	614	580	434	321	236	368	349	140	133	613	211	601	481	375	422	655	447	480	470	249	931	669	382	247	368	217	399	376	313	141	102	207	151	135
tocopherol delta-	delta-Tocopherol	3990	4264	2371	4932	4489	4632	69	4704	3609	4574	4570	8584	7834	6131	4831	4186	3632	4921	4170	5234	4602	5569	3757	461	3592	6072	4516	1796	1336	2276	1333	533	1339	3579	2073	6170	2069	3631	3793	4493	4920	4396	4205	3204	6129	6151	4982	5099	4508	1962	4720	1494	1997	1763	1386	1343	1468	1090
tocopherol gamma-	gamma-Tocopherol	13755	11893	11932	12633	12227	12219	201	13052	12004	12995	11110	21156	18745	15828	6073	9629	7607	8078	10500	15470	8446	14364	12746	7964	13263	15257	9141	5208	4096	3178	4019	2334	2931	8508	6530	10711	9068	8044	7271	11163	9811	9423	10998	8112	17640	17144	8312	7715	10639	2470	12073	6708	4258	6025	1403	3792	3854	2514
trans-4-hydroxyproline	trans-4-Hydroxyproline	16904	16223	17407	16226	15204	14894	24344	14381	15330	11790	15460	2785	8651	13271	15380	5833	8667	13803	7786	27451	8099	18744	27450	13883	28688	32373	10880	6820	6713	5198	20223	12873	23744	12841	60577	6046	6772	7588	14626	13315	20301	12791	13541	22988	14340	50647	18560	10462	30843	20266	10514	10132	8254	104608	58077	10876	58262	20915
tryptophan	Tryptophan	128743	142442	127156	147034	152793	149350	99381	138663	149010	143303	113939	211153	340750	199546	215361	143422	181233	162271	132057	95182	145272	130019	158327	103516	110816	103023	134923	13983	10585	3724	138699	26454	29943	5556	64116	276525	187158	174013	173898	106947	139801	209553	146105	164378	19076	125452	177363	170820	85437	294367	143097	5707	37551	174485	26367	23341	52103	35369
tyramine	Tyramine	271193	155569	289362	254246	213905	257040	53694	213585	257449	264641	265952	720342	18220	53707	77549	701843	22107	41428	59731	33502	18916	17793	11311	36695	36769	8716	60874	51397	151728	186635	15559	204057	247136	43098	706228	12672	314797	86485	55469	25319	24709	85656	24872	29616	4877	8598	28487	19448	34892	34952	25013	430554	471270	338102	5336	240867	546269	281847
tyrosine	Tyrosine	244026	212978	247499	280214	274641	293905	101524	308235	302157	322936	208067	74117	135961	192121	196124	97895	101746	198951	192604	352610	258125	342010	459664	199061	352371	139584	244132	229668	197350	127260	385754	215424	264188	372095	254789	221181	186407	188832	200547	157408	150567	228303	223128	470136	567756	382465	212596	209040	487494	805907	330022	134876	257726	560515	101839	322183	353540	264017
tyrosol	Tyrosol	1347	1287	1288	1200	1255	1273	75	653	1263	938	1160	950	2029	302	206	701	1089	1248	873	100	81	74	175	140	211	73	103	428	521	550	192	739	867	1631	1548	2588	461	332	524	1210	157	152	352	200	273	1246	87	76	191	48	176	905	1594	141	223	503	652	609
UDP-glucuronic acid	UDP-glucuronic acid	4199	2620	1398	2990	1434	2454	135	1526	1343	3396	1285	2591	6526	1639	4811	1807	2985	3467	3675	4350	3637	22624	10934	15058	9829	13531	7233	1273	1369	895	2426	347	3395	924	338	1644	3430	4562	2652	3428	4529	4360	2795	13322	5862	11367	12996	5500	12705	4369	7920	1907	2405	145	1627	1829	220	3375
uracil	Uracil	44103	46378	45121	40078	43598	41442	501	50847	46291	48292	42260	70843	36869	79446	27233	87690	43037	44055	32662	28313	16036	18121	18558	8906	22320	13160	10098	30421	63345	73852	115289	227586	35880	25002	127153	75489	18979	21507	27234	28618	35787	28691	105509	33689	27745	20723	3689	11880	32115	24316	28478	51104	29767	59654	42348	45327	79161	83824
urea	Urea	353676	392463	310046	318745	448216	38559	1021936	59893	99415	465808	361048	138294	2851	1311	3901	126118	5519	2850	3061	5170	376685	2513	7889	6704	37961	8312	287906	24292	3095	4125	8482	6579	3416	2087	9336	5916	4263	1244	87468	7533	19245	65358	3492	78108	221362	5109	176148	453296	240298	123544	164856	9055	207	8606	10740	2502	4118	3529
uric acid	Uric acid	1057	1064	1008	1032	915	1009	4695	1145	1052	1173	913	410	673	1346	190	266	944	529	114	272	369	186	352	291	177	201	163	248	1742	546	351	4652	783	373	1836	1219	90	349	139	523	97	273	863	1296	160	134	130	206	554	52	436	1378	320	204	36	266	116	7633
uridine	Uridine	2421	2698	2081	2203	2099	2524	448	2562	2667	2870	2715	1193	1393	3971	3010	3497	1791	2747	3150	2312	2282	2920	2174	2053	2159	1717	3207	3654	3806	1014	2153	3072	1859	1272	814	5500	4785	3944	4289	5785	4607	4801	4913	3417	341	6912	2293	1865	2726	1139	1697	1591	2937	975	36466	3622	1648	1810
urocanic acid	Urocanic acid	1916	2265	2132	1654	1277	2219	179	2422	2129	2546	2192	1317	318	455	153	268	454	376	175	153	377	132	206	139	151	220	393	1842	2463	1333	13594	2276	5791	3402	8109	1040	74	447	183	1304	377	173	1241	220	145	1099	161	468	333	64	513	5827	2751	18405	237	1824	6199	6273
valine	Valine	379326	377563	390402	383995	305952	307998	382474	337206	303947	339671	426388	246580	219060	269339	147100	399427	128288	215054	123050	362478	306491	548523	740363	229529	310366	180805	293247	283491	353289	444073	1066572	524577	515002	488149	920512	137682	197182	147960	88039	188184	83769	114076	354097	445323	685548	250982	175018	156392	521217	654216	509936	441539	359051	719801	247567	270684	576778	486300
vanillic acid	Vanillic acid	1533	1831	1169	1663	1724	1612	176	1392	1642	1885	1520	2796	1540	1619	1350	1181	1558	1318	1858	553	373	347	492	385	590	477	383	2143	1119	1170	1901	1853	1427	1539	553	2906	1905	2047	2690	2637	754	305	1798	791	702	729	561	339	655	295	468	2112	1975	1938	84294	1636	442	1274
xanthine	Xanthine	13341	14966	14848	12744	13497	14950	241	17615	15137	16879	16026	5435	9427	30783	4051	8520	15438	14200	4944	5508	4063	2664	2948	1139	1671	2123	815	5378	47442	18220	84903	39909	16358	11369	59963	29434	2836	7935	7009	8409	4950	7706	20892	5168	2035	4619	937	1319	3568	1696	1687	21484	9133	27985	270	10844	21372	81490
xylitol	Xylitol	2776	3005	2669	1779	1611	3614	4949	3653	4453	434	4267	4717	4909	2270	4497	2393	2056	3758	3707	9221	6779	10247	10028	9099	7975	6632	10438	13041	9124	3108	2984	9730	6648	4569	1096	4402	2356	4666	4275	4257	4592	1726	3061	8148	1593	17058	4221	3178	8552	6618	9011	3605	7023	460	5394	9943	2993	5510
xylonic acid isomer		1038	917	976	905	579	450	160	780	834	771	648	1175	224	705	391	1422	93	195	702	903	607	473	1309	403	972	529	686	1739	962	37	509	2415	1081	122	464	511	725	553	464	4921	883	231	829	883	820	2151	612	766	955	560	1185	510	1599	347	1804	838	662	930
xylose	Xylose	464895	498422	481031	447498	486916	459656	5538	521059	497778	533727	478665	1085521	683579	1854313	1350513	713593	1303968	1278167	1461432	46771	23376	65833	45938	41342	96961	31003	16890	2387919	2553641	1811869	588849	1982545	932142	818207	83037	2219742	1441170	1955985	1879690	1623061	610465	1050729	1916610	49648	41080	109133	54551	44995	58896	231724	646240	783130	1492483	53397	190118	998119	313168	1178677
xylulose NIST	Xylulose	3223	4838	4526	4174	5112	2686	1034	4917	4214	3901	4828	11599	3134	15613	5950	3672	7429	12463	7761	1731	5797	2423	1626	2712	2625	1041	8284	116249	72157	41523	8131	32442	16465	15099	1539	17594	10539	15729	7406	9238	4193	3051	17886	2095	1446	3033	3799	2451	2668	821	1358	15676	20370	381	2949	82694	1827	17514