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	160718cOEsa27_1	160719cOEsa32_1	160718cOEsa17_1	160720cOEsa02_1	160718cOEsa12_1	160718cOEsa11_1	160719cOEsa33_1	160719cOEsa31_1	160719cOEsa46_1	160719cOEsa08_1	160719cOEsa26_1	160719cOEsa48_1	160719cOEsa22_1	160719cOEsa38_1	160719cOEsa28_1	160719cOEsa45_1	160719cOEsa21_1	160718cOEsa30_1	160718cOEsa48_1	160718cOEsa08_1	160718cOEsa43_1	160720cOEsa08_1	160720cOEsa03_1	160718cOEsa49_1	160719cOEsa01_1	160719cOEsa34_1	160719cOEsa39_1	160719cOEsa40_1	160719cOEsa18_1	160718cOEsa47_1	160719cOEsa41_1	160718cOEsa36_1	160719cOEsa05_1	160719cOEsa25_1	160720cOEsa06_1	160718cOEsa32_1	160720cOEsa01_1	160719cOEsa49_1	160718cOEsa16_1	160718cOEsa23_1	160718cOEsa37_1	160718cOEsa42_1	160719cOEsa23_1
Factors	-	Group:NA | Timepoint:NA | Gender:NA | Age at start of study (years):-	Group:NA | Timepoint:NA | Gender:NA | Age at start of study (years):-	Group:NA | Timepoint:NA | Gender:NA | Age at start of study (years):-	Group:NA | Timepoint:NA | Gender:NA | Age at start of study (years):-	Group:NA | Timepoint:NA | Gender:NA | Age at start of study (years):-	Group:NA | Timepoint:NA | Gender:NA | Age at start of study (years):-	Group:NA | Timepoint:NA | Gender:NA | Age at start of study (years):-	Group:NA | Timepoint:NA | Gender:NA | Age at start of study (years):-	Group:NA | Timepoint:NA | Gender:NA | Age at start of study (years):-	Group:NA | Timepoint:NA | Gender:NA | Age at start of study (years):-	Group:NA | Timepoint:NA | Gender:NA | Age at start of study (years):-	Group:Placebo | Timepoint:Baseline (days 5-7) | Gender:Female spayed | Age at start of study (years):10	Group:Placebo | Timepoint:Baseline (days 5-7) | Gender:Female spayed | Age at start of study (years):10	Group:Placebo | Timepoint:Baseline (days 5-7) | Gender:Female spayed | Age at start of study (years):5	Group:Placebo | Timepoint:Baseline (days 5-7) | Gender:Female spayed | Age at start of study (years):5	Group:Placebo | Timepoint:Baseline (days 5-7) | Gender:Female spayed | Age at start of study (years):7	Group:Placebo | Timepoint:Baseline (days 5-7) | Gender:Male castrated | Age at start of study (years):7	Group:Placebo | Timepoint:Baseline (days 5-7) | Gender:Male castrated | Age at start of study (years):7	Group:Placebo | Timepoint:Baseline (days 5-7) | Gender:Male castrated | Age at start of study (years):9	Group:Placebo | Timepoint:Completion of treatment (days 26-28) | Gender:Female spayed | Age at start of study (years):5	Group:Placebo | Timepoint:Completion of treatment (days 26-28) | Gender:Male castrated | Age at start of study (years):7	Group:Placebo | Timepoint:Completion of treatment (days 26-28) | Gender:Male castrated | Age at start of study (years):7	Group:Placebo | Timepoint:Completion of treatment (days 26-28) | Gender:Male castrated | Age at start of study (years):9	Group:Placebo | Timepoint:Recovery (days 68-70) | Gender:Female spayed | Age at start of study (years):10	Group:Placebo | Timepoint:Recovery (days 68-70) | Gender:Female spayed | Age at start of study (years):10	Group:Placebo | Timepoint:Recovery (days 68-70) | Gender:Female spayed | Age at start of study (years):5	Group:Placebo | Timepoint:Recovery (days 68-70) | Gender:Female spayed | Age at start of study (years):5	Group:Placebo | Timepoint:Recovery (days 68-70) | Gender:Female spayed | Age at start of study (years):7	Group:Placebo | Timepoint:Recovery (days 68-70) | Gender:Male castrated | Age at start of study (years):7	Group:Placebo | Timepoint:Recovery (days 68-70) | Gender:Male castrated | Age at start of study (years):7	Group:Placebo | Timepoint:Recovery (days 68-70) | Gender:Male castrated | Age at start of study (years):9	Group:Synbiotic | Timepoint:Baseline (days 5-7) | Gender:Female spayed | Age at start of study (years):10	Group:Synbiotic | Timepoint:Baseline (days 5-7) | Gender:Female spayed | Age at start of study (years):5	Group:Synbiotic | Timepoint:Baseline (days 5-7) | Gender:Male castrated | Age at start of study (years):7	Group:Synbiotic | Timepoint:Baseline (days 5-7) | Gender:Male castrated | Age at start of study (years):9	Group:Synbiotic | Timepoint:Baseline (days 5-7) | Gender:Male castrated | Age at start of study (years):9	Group:Synbiotic | Timepoint:Baseline (days 5-7) | Gender:Male castrated | Age at start of study (years):9	Group:Synbiotic | Timepoint:Baseline (days 5-7) | Gender:Male castrated | Age at start of study (years):9	Group:Synbiotic | Timepoint:Baseline (days 5-7) | Gender:Male castrated | Age at start of study (years):9	Group:Synbiotic | Timepoint:Completion of treatment (days 26-28) | Gender:Female spayed | Age at start of study (years):10	Group:Synbiotic | Timepoint:Completion of treatment (days 26-28) | Gender:Female spayed | Age at start of study (years):5	Group:Synbiotic | Timepoint:Completion of treatment (days 26-28) | Gender:Male castrated | Age at start of study (years):7	Group:Synbiotic | Timepoint:Completion of treatment (days 26-28) | Gender:Male castrated | Age at start of study (years):9	Group:Synbiotic | Timepoint:Completion of treatment (days 26-28) | Gender:Male castrated | Age at start of study (years):9	Group:Synbiotic | Timepoint:Completion of treatment (days 26-28) | Gender:Male castrated | Age at start of study (years):9	Group:Synbiotic | Timepoint:Completion of treatment (days 26-28) | Gender:Male castrated | Age at start of study (years):9	Group:Synbiotic | Timepoint:Recovery (days 68-70) | Gender:Female spayed | Age at start of study (years):10	Group:Synbiotic | Timepoint:Recovery (days 68-70) | Gender:Female spayed | Age at start of study (years):5	Group:Synbiotic | Timepoint:Recovery (days 68-70) | Gender:Male castrated | Age at start of study (years):7	Group:Synbiotic | Timepoint:Recovery (days 68-70) | Gender:Male castrated | Age at start of study (years):9	Group:Synbiotic | Timepoint:Recovery (days 68-70) | Gender:Male castrated | Age at start of study (years):9	Group:Synbiotic | Timepoint:Recovery (days 68-70) | Gender:Male castrated | Age at start of study (years):9	Group:Synbiotic | Timepoint:Recovery (days 68-70) | Gender:Male castrated | Age at start of study (years):9	Group:Synbiotic | Timepoint:Recovery (days 68-70) | Gender:Male castrated | Age at start of study (years):9
1_2-anhydro-myo-inositol NIST	1,2-Anhydro-myo-inositol	13168	14286	12839	12095	13309	12452	35440	9915	9382	9132	9447	9803	4125	10483	4855	12728	15394	11753	8202	11688	16314	11570	8732	3195	8348	2282	6037	639	12304	3472	5143	2100	8211	10045	3278	11787	1581	854	2311	449	15429	15203	7332	9957	7931	3499	2701	3152	2913	2578	2104	9427	9445	1750
1_5-anhydroglucitol	1,5-Anhydrosorbitol	7220	5536	12482	11295	11180	10671	15155	11421	11524	11933	6812	5251	5829	3682	8183	6455	7686	50668	33467	13979	17704	9416	60525	4809	30375	34247	20799	3075	22551	27553	3253	3654	5011	8214	9151	5282	3496	1703	3723	72489	16840	15112	99391	68651	116831	64076	4890	7097	12523	234278	300280	32470	5211	1900
1-hexadecanol	Cetyl alcohol	1757	1770	1790	1574	1753	1419	608	1994	1852	2266	1740	351	1493	581	1257	809	1266	1529	1033	312	286	256	1714	751	391	323	376	352	274	329	359	2481	1030	1059	3891	13020	45417	1408	1327	35380	335	347	1430	253	4097	1648	470	519	290	633	691	655	475	2373
1-kestose	1-Kestose	18213	15085	15862	17535	15675	16102	122	15641	14607	16409	15477	21	127	69	295	283	1034	312	511	7010	59254	133	857	53	64	156	73	31	1120	248	114	92	56	257	132	221	28	12	63	1770	57830	153062	887	4516	361	238	48	937	268	155	62	64	514	48
1-methyladenosine	1-Methyladenosine	284	229	315	163	315	257	81	277	200	270	256	81	151	369	861	1055	1221	1241	110	686	364	225	245	64	66	504	50	60	525	533	62	66	141	759	66	76	77	19	19	536	744	318	190	97	51	99	68	633	365	64	193	115	17	43
1-monoolein	MG 18:1(9Z)/0:0/0:0	87793	87048	71048	88148	60040	93760	13449	24459	60809	19041	73273	39321	77725	11021	12455	9279	6108	9012	16100	9154	24158	17143	10385	41947	34894	12481	51616	28333	3908	24210	5325	41997	4702	12551	21578	28761	42843	52677	89828	30017	10685	14013	12020	56357	40141	5357	29000	11031	15392	7095	5236	11814	32272	20927
1-monopalmitin	MG 16:0/0:0/0:0	14553	13352	7946	11572	15169	14401	680	10942	15340	14257	14930	8488	14746	5060	330	4371	4273	3896	10308	3871	7369	4423	1863	5692	10679	6255	17886	5619	6386	8513	13836	20096	4288	1270	5903	7386	4800	2682	14034	7611	5082	6159	3804	3419	7013	881	14790	3604	6613	3692	6844	11556	7434	15809
1-monostearin	MG 18:0/0:0/0:0	2688	2774	1888	481	1728	2684	204	2775	2755	2267	2232	1098	2193	1469	967	1698	2648	951	574	2186	2319	2352	952	140	1401	1776	2103	1821	896	1847	799	2623	1598	1251	299	1002	2455	2696	4246	1241	949	775	792	1425	1485	830	1356	1321	886	88	982	2285	1534	1729
2_3-dihydroxybutanoic acid NIST	2,3-Dihydroxybutanoic acid	230	263	231	220	228	287	182	301	245	285	240	348	781	513	1483	748	646	1558	222	75	59	88	306	71	58	135	157	205	311	99	1832	220	349	1606	129	82	394	52	83	214	8	180	226	45	46	50	166	901	884	122	363	324	111	129
2_4-diaminobutyric acid	2,4-Diaminobutyric acid	2012	2618	2309	2226	3120	2342	1260	3530	2667	2978	2555	4812	2065	2538	1965	2516	1860	1388	5136	290	441	167	333	6594	5219	724	5841	12630	266	812	1607	2748	4331	536	9508	7178	366	605	787	488	323	238	295	172	686	384	2252	635	917	4372	3631	2904	6901	3058
2_5-dihydroxypyrazine NIST	2,5-Dihydroxypyrazine	702	535	603	554	640	624	470	648	563	613	651	475	455	623	601	510	476	514	1018	1114	738	841	1386	360	590	441	734	423	686	642	1012	244	419	579	1405	584	197	823	373	784	539	897	1388	1938	1251	2752	573	728	794	1217	1691	877	771	117
2_8-dihydroxyquinoline	Quinoline-2,8-diol	2023	2173	2235	2037	1952	1984	229	2243	1685	2242	1944	365	1309	1439	2440	2270	1280	919	731	3841	4492	1159	19458	390	883	750	725	264	1119	543	327	524	1314	846	267	482	1166	200	407	11307	2866	1173	4838	5243	4299	9112	417	572	524	238	350	643	564	349
2-deoxyerythritol	2-Deoxyerythritol	2688	2518	2597	2227	2543	2428	896	2033	2637	2684	2693	1407	88461	1573	123450	5228	3070	26084	1796	360	910	553	4833	2082	3119	1052	2017	1002	1659	1434	6618	2493	5341	12959	1659	816	3968	1296	963	2060	525	1270	4995	606	6456	2478	3431	3636	1857	1243	2984	3362	3629	2121
2^-deoxyguanosine	Deoxyguanosine	2740	2576	2527	2256	2465	1917	119	2427	2621	2331	2403	1364	1041	10076	4974	4605	1424	6515	908	2679	3535	1278	1325	326	3847	430	3695	824	816	1060	619	1568	6950	5757	823	4175	720	965	5024	242	3501	1615	2841	1491	203	450	1080	119	1382	1340	1791	3259	1290	1228
2-deoxytetronic acid	3,4-Dihydroxybutyric acid	1495	1316	1223	1141	1346	1270	530	1426	1323	911	1239	1416	1438	2603	3186	2430	1731	1572	1737	976	501	198	1114	292	2592	2028	2412	901	2708	1517	3782	1011	1036	1530	202	939	615	200	912	1848	785	812	1512	427	1298	544	2838	2082	2525	1244	1436	3921	2737	401
2-hydroxybutanoic acid	2-Hydroxybutyric acid	23235	21662	20193	19117	23918	21074	29535	27327	26776	27529	23944	2388	21994	54254	4345	21093	25123	21672	3196	4259	18764	29274	71903	2317	49338	19473	41569	6951	21553	21813	41918	4008	19922	3950	1065	981	1374	1249	702	23417	16893	11450	16403	42590	7518	2007	6164	13098	14424	1712	13725	10072	18162	33500
2-hydroxyglutaric acid	2-Hydroxyglutaric acid	2954	3708	3700	3413	3419	3261	1683	4103	3731	4058	3299	3125	3131	1364	8655	8740	3144	5360	3193	10862	2931	1067	5645	501	545	4003	843	350	3748	2415	18220	2167	4048	3465	1188	1422	420	265	348	1220	16668	4090	11735	474	8421	13078	2370	8698	5350	831	2657	2215	999	199
2-hydroxyhexanoic acid	2-Hydroxyhexanoic acid	29536	31495	27934	27244	31841	29743	602	32473	30524	32910	29313	3679	447	37795	7187	29126	42483	1133	4728	26340	43624	22348	27850	1681	39972	50106	21130	3310	55925	35053	54689	4352	23685	2999	350	2674	369	1548	598	17602	31375	51851	18389	18289	37675	24704	24262	33247	51591	4616	7802	10004	6509	170
2-hydroxyvaleric acid	2-Hydroxyvaleric acid	8143	810	8764	8607	908	1031	3075	1224	1066	1047	1014	1466	12002	1243	10916	1647	846	12548	1034	151	4126	296	1320	893	1401	230	1218	1311	7535	460	1359	1551	1170	6989	3117	1244	9020	12702	1486	1051	244	4403	1067	4892	1407	901	11290	6992	925	1568	1002	9920	255	687
2-ketoisocaproic acid	Ketoleucine	3209	3549	2003	2469	3171	2916	19135	3601	2629	3827	3209	1825	7091	2875	5649	5243	2734	3206	1509	1862	1851	2035	1216	14394	2443	2614	2962	2090	2243	2727	3191	3613	7672	2729	6741	4488	10036	5729	6854	2219	1768	2160	2095	1244	2814	2256	2257	2725	3003	5271	4404	3318	2750	13365
2-methylglyceric acid NIST	2,3-Dihydroxyisobutyric acid	2980	3055	3038	2648	2799	2801	25	598	1068	3484	3070	726	4363	1482	5129	1809	7927	8221	2523	16237	1792	361	6003	1185	501	13315	2621	3663	6375	13355	4295	1674	1376	6574	817	5344	641	642	875	2688	21961	979	910	754	686	816	6133	10024	3116	6476	2358	12864	1142	86
2-monoolein	MG 0:0/18:1(9Z)/0:0	26356	27836	27695	24856	27892	24190	429	2498	9048	24322	23527	668	16348	3874	2608	5086	3571	2911	9667	6892	7962	5710	12809	7076	5469	2203	6674	2918	2223	3268	3221	5727	3572	5380	4222	21900	3810	9098	12340	15437	3896	6951	6959	3091	8119	4688	6912	2830	2066	2096	2414	4894	2052	596
2-monopalmitin	MG 0:0/16:0/0:0	9759	11787	11040	10850	11113	12729	13415	10264	9404	11210	2335	4611	8095	2817	7316	7776	7878	1597	6094	2687	4397	2948	5543	2295	4067	1134	6124	1135	6912	4178	3461	8314	5080	3789	13901	9181	974	5521	5308	20293	6331	2843	21466	4902	12839	12630	7166	7414	1734	1720	5466	3726	7030	6481
3-(3-hydroxyphenyl)propionic acid	3-(3-Hydroxyphenyl)propanoic acid	43867	46531	44828	41481	43969	44468	226	46487	41669	45633	38877	149959	156058	96175	160927	66988	55264	140457	82749	92	377	110	153	118717	190172	333	15654	1844	631	335	188	166256	141543	146537	212599	83974	59873	55351	136581	1634	189	44	190	256	136	589	181388	374	386	1510	15326	235	170	5475
3_4-dihydroxybenzoic acid	Protocatechuic acid	6659	7327	7135	6372	6866	6982	34	7311	6640	7535	6578	13471	3732	6113	21603	11266	12873	9590	10365	3135	2526	2069	4290	29955	33854	3048	25759	10137	2617	2631	4076	4812	14490	20760	6715	2483	2749	3711	3684	2291	3029	3033	3525	3277	2602	2092	27085	7362	3516	27329	11548	45751	48873	1085
3_4-dihydroxycinnamic acid	Caffeic acid	5386	5498	5189	4906	4922	5135	887	5076	5019	5589	4583	2164	2070	7702	2995	10612	16855	2110	5609	1759	8884	1601	1346	925	4102	796	3473	903	53300	7414	2517	505	3837	3482	719	4434	209	540	428	22954	2745	2202	1905	1394	595	906	3455	18852	1929	2693	1705	3543	5504	96
3_4-dihydroxyhydrocinnamic acid NIST	3,4-Dihydroxyhydrocinnamic acid	40765	41581	40197	37935	39780	39412	8754	42949	37626	16173	38166	39566	764	23801	37174	31242	14570	11098	32218	26758	40449	11036	44143	1836	11702	33545	363292	197157	46751	52909	34545	14987	25660	1307	2639	27796	14805	1992	39007	49189	29642	24201	78347	17192	41844	38149	8299	123831	69950	585710	173599	419108	640134	1501
3_4-dihydroxyphenylacetic acid	3,4-Dihydroxybenzeneacetic acid	1028	1004	1122	991	1109	985	63	70	1068	574	993	2680	962	2012	2485	1137	1023	1513	1716	223	570	280	724	8269	9369	767	2748	1626	794	710	723	549	1435	3602	601	1482	314	321	1004	1140	501	760	383	2525	1090	828	20565	1015	180	5761	2796	1908	4936	1475
3-(4-hydroxyphenyl)propionic acid	Desaminotyrosine	28543	30789	29617	28277	28632	6598	411	30481	28218	28866	27753	110451	58460	39206	48872	38407	24170	43324	39160	2309	6003	1907	10735	29834	48155	5641	26709	20627	8188	7707	16390	56409	88407	87127	143552	51364	34626	51929	87480	18082	3371	3240	12890	1442	13160	4981	33386	11516	8867	12354	22337	22447	33522	4827
3_6-anhydro-D-galactose	3,6-Anhydro-galactose	3715	3657	3754	3594	3573	3963	1533	4648	3732	5021	3808	4261	908	3236	2343	2577	3183	2886	6147	2903	2843	2632	4175	3302	3681	2880	3698	2195	4445	2895	3349	1809	2769	1759	1600	5002	787	766	1554	7336	2799	2740	5172	2345	6484	3266	4446	2228	2993	2778	2010	4457	5228	852
3-aminoisobutyric acid	3-Aminoisobutanoic acid	2409	2131	1839	2056	1884	2159	404	1611	2164	1895	2564	1921	3538	1725	2812	1079	1223	1408	832	89	2670	3878	2721	5607	6090	6449	4841	5099	5652	367	7288	6725	2732	4965	5934	5328	6138	2628	5132	974	107	3084	923	3548	395	537	5559	5168	2642	7447	3947	2766	6239	929
3-hydroxy-3-methylglutaric acid	3-Hydroxymethylglutaric acid	241	494	214	328	318	309	386	335	383	395	457	349	1391	1028	2208	2505	368	1489	272	129	74	80	177	420	462	269	804	417	417	219	1246	5028	632	1725	64	76	192	82	136	600	143	103	268	100	139	86	1988	631	354	78	546	2006	527	27
3-hydroxybutyric acid	3-Hydroxybutyric acid	5732	7109	4893	6267	7864	7697	188994	9128	8461	8814	7052	5831	785	3472	7765	10127	3361	6890	5093	11722	7722	479	2845	3063	26361	9367	9947	3568	1237	4163	5744	3520	12965	1798	2733	2935	1245	1357	4299	1058	10693	15584	10069	4562	11976	4529	20986	9136	10616	1243	3052	26890	8029	580
3-hydroxypalmitic acid	3R-Hydroxypalmitic acid	3819	3165	2301	2105	2524	2199	69	1796	2223	897	1763	6977	2533	564	2422	2652	2524	3814	5646	894	1324	619	1991	1402	4903	298	3563	2213	434	536	687	4809	3384	1621	14772	6140	4780	4740	3901	5266	1971	929	4694	1479	185202	5416	4645	605	1255	17590	6558	5655	4832	7506
3-hydroxyphenylacetic acid	3-Hydroxyphenylacetic acid	1465	1661	1537	1277	669	1411	226	1491	1561	1685	1364	2469	4109	875	382	207	172	385	673	21	130	26	138	4774	12535	246	110	161	69	182	440	1423	289	3275	18478	9545	532	3752	9211	730	65	41	291	26	1122	2221	718	152	278	347	287	198	226	167
3-hydroxypropionic acid	Hydroxypropionic acid	5837	6144	5644	4901	6564	6607	5783	7566	7617	7986	6586	1516	643	7896	2313	9670	16329	828	1426	850	2560	1022	23526	1484	3179	45807	2881	859	29863	32476	6220	1497	6133	329	1281	1741	1371	1157	1267	2770	918	1373	15332	7900	20230	6224	20162	16490	28648	1197	4242	1510	3569	998
3-phenyllactic acid	Phenyllactic acid	12431	11995	11929	12288	12752	12376	122	13779	12998	13698	4542	4053	523	15741	4379	17758	20918	2559	6256	4736	4529	4682	23160	4441	21452	32109	10271	2799	43746	31413	50765	4906	12731	1074	339	4667	275	1062	1657	3821	6595	12880	4655	4363	1294	442	41143	43851	44885	5869	9786	20436	12077	185
4-aminobutyric acid	4-Aminopentanoic acid	37052	38439	36927	36611	34382	32340	542	36953	35936	37310	33556	3410	2330	4002	5507	4089	14762	111922	8889	18349	56327	25314	113143	9831	28013	7081	24834	6165	25038	9891	26066	9975	3020	14553	1625	2187	2236	2156	1633	4836	52548	31474	3938	66681	5644	3811	57235	16185	8707	3300	18229	3577	30810	1236
4-hydroxybenzoate	4-Hydroxybenzoic acid	13339	14587	13833	11175	12659	13355	285	14574	13765	15156	12840	46996	16916	18425	23633	25400	15351	22315	32316	2244	6332	1355	11641	20120	44331	5239	36244	25981	6512	7277	12991	17764	24039	19980	1061	18226	2616	5561	2963	3463	4153	1726	13587	3671	14652	7539	24965	12571	16494	18644	19382	37384	41178	1301
4-hydroxybutyric acid	4-Hydroxybutyric acid	2300	2605	2264	2046	2161	2218	1022	1609	2440	2596	2236	5267	644	1784	1358	2753	1424	7856	8014	1569	3123	1199	1933	343	1796	866	1248	375	1231	905	1176	1136	1992	1811	452	3697	539	541	805	1876	2098	2240	1201	1198	2157	1633	1203	905	1072	649	904	1148	840	273
4-hydroxyhippuric acid NIST	4-Hydroxyhippuric acid	373	323	308	264	323	285	150	311	370	270	299	972	4282	660	4306	896	580	6187	1647	226	185	106	1879	287	171	53	445	273	68	147	846	1156	848	8944	363	385	158	286	226	967	255	211	1103	274	573	1813	43	1062	334	106	261	1020	261	365
4-hydroxyphenylacetic acid	4-Hydroxyphenylacetic acid	51850	54831	54234	49457	51334	52123	191	51993	52039	56164	48241	147498	35195	55740	99886	83893	56582	57370	162332	3580	12222	2652	32997	184265	77869	5023	113250	104896	11968	14475	23135	79258	101291	98439	7976	40536	16050	18325	19100	48150	6975	6135	61810	7300	136795	179597	93354	27440	33533	348612	71700	163455	125774	227134
4-methyl-5-thiazoleethanol	5-(2-Hydroxyethyl)-4-methylthiazole	2439	7928	2727	9012	7177	7482	2586	8964	3653	913	10053	8397	7391	10910	11130	8211	9042	10514	2137	9723	4223	7160	5514	9230	6291	22908	6292	8336	17980	15770	10439	9138	1278	6036	5699	1238	11443	17067	10540	8316	3886	6736	3872	7175	15922	6067	18547	16148	29381	8322	6925	12590	16265	20870
5_6-dihydrouracil major		486	441	534	529	335	311	204	272	348	851	426	220	121	933	543	2461	786	876	6347	163	205	151	334	174	199	263	251	205	205	285	499	2020	412	366	405	157	89	329	130	455	189	164	390	366	863	1019	945	141	423	467	869	299	2268	198
5-aminovaleric acid	5-Aminopentanoic acid	361342	379936	375935	364574	370634	381947	837	382874	383808	399504	346191	622949	99250	430683	231639	388298	233301	132337	425133	6771	205951	22679	878571	263511	752858	31866	703716	789952	121759	93762	395066	294024	404140	21496	622114	385310	37068	101989	139293	302934	119785	2240	908101	240133	1748054	1436837	550911	37861	203251	394373	280754	364678	516096	18772
6-deoxyglucose	Quinovose	48057	49224	47367	44542	47051	45874	2207	51709	44153	46921	35890	16145	12844	23300	26668	17505	15200	47516	10720	23424	15945	10118	4179	9301	9894	34476	8112	5864	52341	28725	23253	18939	22908	42468	43341	12201	7051	8467	7792	21694	16368	21254	131482	7459	192587	3784	67901	20471	31474	6761	9740	11888	8891	2532
6-hydroxynicotinic acid	6-Hydroxynicotinic acid	1339	1395	1401	1318	1312	1354	163	1439	1383	1475	1278	1321	11577	1464	1843	998	912	1200	1014	162	335	97	763	3240	2521	281	1330	1524	343	410	294	4320	1107	1658	371	3418	391	338	199	2418	255	225	1777	183	1284	2072	2988	524	673	4992	1495	2976	2272	433
acetophenone NIST	Acetophenone	1710	2043	1677	2091	3564	3436	1348	2870	2443	3405	2036	1384	2610	2084	2404	2961	2553	1429	1332	4030	5295	2898	3630	2860	3966	2208	3442	3369	5233	6387	1411	2178	2852	1587	5245	3449	4309	2903	3943	5303	4681	3648	4903	2483	5182	3387	2855	2906	4804	3340	3856	6158	3337	8725
adenine	Adenine	13293	14567	12782	12116	13273	12941	116	13415	10476	14033	12238	11259	7329	16785	39479	26516	19024	45632	8178	6106	1913	8219	3593	8685	33843	11812	13194	6454	16783	17618	14180	9280	25972	52613	2489	14324	2493	3840	3407	1850	9506	11043	2586	1325	1308	1426	18090	32845	21656	2567	5505	16971	7797	1025
adenosine	Adenosine	1450	1603	1325	1168	1324	1344	78	1451	1371	1260	1125	347	89	1338	237	732	851	1578	211	839	558	1297	1692	103	483	125	129	62	292	416	94	99	554	1585	168	1278	156	147	344	2140	581	1750	9152	190	295	1170	211	206	128	186	165	152	153	117
adipic acid	Adipic acid	1045	1197	1032	1030	870	1130	1097	1267	1138	1552	434	1887	1424	961	1233	1196	1115	1751	1809	724	685	460	1387	1236	2002	1099	913	1589	916	804	1206	1541	754	1716	4801	1235	1751	1418	1004	1321	745	1231	3015	356	1810	1407	2071	1539	1678	3332	2025	2947	1854	652
alanine	Alanine	810934	715334	717896	723247	726401	727599	331224	735859	657416	705522	890199	855939	788534	775745	1072153	647967	384941	1085580	603226	125120	401150	254223	351927	890269	778067	489313	527109	1243494	534168	434687	797002	858918	1093786	625969	231203	843566	736946	805681	689293	266278	180296	174760	207754	328071	418633	257468	647189	489700	741274	497510	789906	604510	778104	738931
alanine-alanine	Ala-Ala	21248	19875	19883	24367	21580	22108	3144	22981	25661	18457	19910	30597	6369	22478	24214	23723	19963	25800	38547	16389	16403	21637	10373	21249	84313	17393	49835	29299	18175	25969	42837	21987	25649	10313	8434	28507	2693	13025	17104	4793	31477	11452	15970	32623	20965	15259	45497	9418	21742	9239	18811	39714	46481	1613
allantoic acid	Allantoic acid	10704	10145	10076	6494	9483	7739	10340	8834	6369	8842	8218	9607	9471	13279	20459	5914	16017	48266	447	7346	6347	5313	16877	339	1128	6456	2584	432	9317	1500	26522	6850	9415	12542	513	842	31926	329	5975	825	4835	7235	1080	7077	637	368	403	3701	21313	1353	3333	1961	327	3353
alpha-ketoglutarate	2-Oxoglutaric acid	976	874	1131	530	787	916	3476	1018	1100	819	869	550	1882	766	2244	1923	481	846	506	109	87	79	1962	1464	185	131	510	561	188	238	2910	601	2693	1827	774	538	1746	543	1122	3726	79	104	2985	46	22513	30551	118	180	360	417	1725	1075	315	747
aminomalonate	Aminomalonic acid	3278	2966	3637	3238	5152	4883	20295	4319	4527	6810	4962	3625	645	2999	1910	2021	2761	1881	4560	1158	1980	1968	505	1521	1293	8952	1868	1072	7397	7038	1491	2076	6592	1061	1158	3740	1397	3989	3027	874	1284	2044	426	3354	176	827	2257	5437	5266	2195	1632	2672	1394	1059
arachidic acid	Arachidic acid	13108	13190	12179	11936	12656	12640	5808	13889	10866	13613	12959	9983	24465	12741	18896	14356	21627	13334	14779	20202	21902	48083	15360	10478	14429	18655	21109	8678	18132	18914	17847	12966	15901	16999	11370	18642	37402	17383	13956	37890	20139	15935	13725	37994	15244	20671	18463	34323	10701	15353	26469	14914	13013	23686
arachidonic acid	Arachidonic acid	15672	15378	15170	13582	14499	15044	3181	16026	15440	16248	14692	8181	10656	14121	4450	8566	11311	6190	13642	10161	10053	15876	11986	8513	7720	7613	13148	12108	6443	9758	12011	11738	7167	5262	12943	8986	115819	25213	33374	22993	8553	4764	13047	16553	43475	44810	13204	8188	6191	4097	9243	13236	14829	92507
asparagine	Asparagine	1527	2185	1676	2767	2005	1957	1197	1726	1902	2434	2303	2873	3374	1740	2166	3267	2381	2603	4481	2561	1635	1695	2751	1412	1132	4047	595	4623	3851	2575	2136	1431	916	1480	1655	2955	385	1868	4393	2360	1200	1138	1741	8296	2480	5108	1885	2198	4174	2899	2451	2395	3832	2475
asparagine dehydrated	Asparagine	849	1402	1042	2069	1183	1174	404	946	1028	1720	1590	2072	925	1256	1127	2381	1790	2025	4184	2305	1346	1512	2532	787	750	3228	334	1479	2871	1872	1869	1243	414	1043	1307	811	288	1544	361	2222	1010	997	1519	8114	2341	5004	1556	1638	2961	1669	1572	1944	3075	498
behenic acid	Behenic acid	8445	7531	7190	6714	7712	7212	1956	7804	7292	6708	6710	7994	21170	9613	16587	9568	13778	10890	9239	9762	14370	23981	10916	8350	9226	10377	14093	12897	9052	11946	11339	4454	13136	12254	11105	5832	24255	10462	12926	22026	14091	5946	4710	11789	4036	7187	10246	18542	6543	5635	12397	3110	11346	15137
benzoic acid	Benzoic acid	4789	4571	4331	3926	5055	4999	17421	5666	5237	6815	4680	3247	10850	3685	5178	5984	7277	3025	3205	3284	3073	3243	6327	4167	3225	3960	3748	2504	3479	3394	11208	2137	4050	2960	4708	3726	13174	2999	6524	7783	3237	6407	6229	2784	4360	4053	3269	6664	5872	3861	8790	2006	3333	7113
beta-alanine	beta-Alanine	6821	8712	8945	7565	4967	5206	1251	6378	5084	5183	7710	5067	2403	7034	9396	1635	3079	1681	1951	206	407	278	4217	20234	11375	308	6944	16855	494	625	1978	19473	13510	3305	1803	9425	4155	8752	2758	1047	280	242	1372	824	1611	2850	17922	548	2914	49539	15470	11735	11878	408
beta-gentiobiose	beta-Gentiobiose	13252	11272	11184	11195	11598	12245	27877	11703	10729	11826	9563	2233	977	1742	2183	4212	4442	2815	3840	9963	17286	12885	11712	7640	2949	660	1510	975	8686	6291	2840	655	2981	2470	1333	7753	239	571	569	22046	12308	23039	16350	7691	9241	5784	1392	4924	1069	2946	4018	2407	9230	203
beta-glutamic acid	Isoglutamic acid	3248	3824	3091	4943	3988	3965	122	4168	4649	5037	4443	36	459	144	751	84	1770	5358	20	582	372	179	2329	540	448	73	21	3823	406	17	3870	975	171	2071	1369	607	156	753	912	71560	547	30	16206	129	90099	223380	141	157	252	757	763	2330	4820	80
beta-mannosylglycerate		4743	4354	4236	3868	4245	4071	5335	3920	4045	3477	3446	2910	682	1966	373	1556	4029	1354	1849	6835	12698	5621	4378	980	3784	823	1938	359	803	905	1225	1271	646	1349	6739	2184	960	1715	824	3156	5148	23835	5119	3128	13674	6527	1733	2379	1037	7502	2355	2170	1476	845
beta-sitosterol	Sitosterol	1979	4588	4285	261350	265400	259500	395	2856	252507	282773	252026	1491	397042	4616	430297	11878	320631	3152	282529	186754	189962	192199	279741	418125	323904	1648	349814	216339	228798	343723	1142	48295	255430	326920	3685	2396	22038	395100	312195	30839	297769	201920	717247	8100	5858	653563	4676	359988	3158	557073	406999	496104	129502	89933
biphenyl	Biphenyl	691	638	498	325	622	472	423	438	432	427	421	574	1683	250	777	587	524	172	871	422	290	325	962	2315	814	388	430	436	325	674	159	630	157	279	4307	953	503	4289	1277	283	415	399	959	892	458	1346	281	79	237	1769	1548	345	1404	230
butane-2_3-diol NIST	2,3-Butanediol	10144	14298	9287	8991	17126	16524	4222	16257	15580	17238	10806	5973	3107	3593	3250	4289	4903	3368	4646	3178	7630	3618	4180	992	11161	105292	5976	2966	84637	15087	6850	1882	4122	1440	3223	5240	4610	902	1534	3083	4062	8836	8255	5005	6563	3538	66142	9682	23149	1808	3824	6908	8155	3507
butyrolactam NIST	2-Pyrrolidinone	6040	5975	4576	5150	5838	5962	2702	6387	6428	8649	6274	1333	1229	1447	1886	1522	1449	742	1986	3680	10277	8608	17708	2345	5705	2037	4901	4626	3998	2683	6093	763	1446	601	3613	1293	806	1751	742	2498	9700	6238	2334	6197	3500	3258	8030	3573	2266	2199	5103	1672	5183	1233
capric acid	Capric acid	432	473	407	452	551	361	1724	721	295	726	426	493	525	243	295	555	521	175	476	514	448	337	566	465	406	564	415	408	332	592	312	392	305	434	647	474	399	466	536	1188	417	819	1129	106	404	552	499	793	478	340	509	448	435	460
caprylic acid	Caprylic acid	912	709	700	677	894	638	4394	1058	731	864	1080	415	825	853	1487	1101	1463	890	399	928	856	1074	1498	771	505	846	742	795	891	1090	840	370	613	478	1231	983	1509	718	643	2306	1176	1322	1676	542	1323	1277	1048	1300	1390	598	968	904	417	1506
cellobiose	Cellobiose	9778	12087	12434	9397	12706	14287	326	9866	12429	4555	10905	30755	3291	37848	2701	39188	12358	4047	29772	247769	8116	89908	8553	1196	2247	4341	1767	823	6438	4849	3300	3517	37705	5859	3804	29784	1590	318	7541	11868	3566	3977	8871	6239	5255	5130	3444	1043	5422	515	3449	3119	8657	271
cerotinic acid	Cerotic acid	289	391	308	348	315	338	360	287	284	305	58	315	1067	514	1684	864	934	725	467	1142	1271	1453	769	376	215	930	706	366	408	827	442	253	341	787	624	795	714	570	267	1088	1130	1515	861	855	603	722	719	833	513	410	603	658	516	540
chenodeoxycholic acid	Chenodeoxycholic acid	3812	3149	3148	2499	1995	1976	1003	3632	2886	3691	3264	2810	670	1856	1088	7900	3198	3192	4928	860	577	1381	5663	942	942	3201	2178	1116	1840	3819	2097	4472	1524	3112	42473	1845	17928	4442	7260	11041	3070	1427	4177	1825	4638	31094	5347	3278	2837	2332	1444	6583	6581	27104
cholesterol	Cholesterol	228494	194913	197100	205442	205219	209180	319985	214608	195010	218384	198316	135107	298572	159326	255527	183192	168410	166723	228768	126982	111185	210184	200138	334934	328929	148441	279975	221904	127378	185799	233778	192715	158441	137716	512709	171927	71526	544495	378709	383277	132024	107264	376898	132596	353382	462942	333516	143354	106417	325737	317268	367330	318318	780790
cholic acid	Cholic acid	117349	90545	95287	98018	99083	98252	1708	744	100343	109435	92044	171	1836	33389	31570	233868	144000	97758	2786	32241	47907	24738	395170	2930	6433	1009	155356	1214	91348	180843	74106	979	20879	82345	836	93300	644	10435	7437	1051021	82158	35095	184634	102	167998	392313	188454	145661	481	68066	17343	5522	6375	764
cis-gondoic acid	cis-Gondoic acid	1780	1576	1612	1410	1644	1589	78	1689	1611	1884	1391	329	1292	80	949	816	1167	990	1381	702	1205	2383	761	502	674	1086	1406	245	889	1038	1138	2462	517	827	1699	1234	5591	5100	2046	2560	1073	803	350	2692	1109	1953	1813	1906	663	814	3808	716	684	2946
cis-sinapinic acid	cis-Sinapic acid	684	820	892	1315	664	857	110	1455	869	848	1308	423	65	422	904	797	1142	528	562	125	788	549	2491	90	226	2000	701	179	605	554	182	55	1425	763	1033	454	56	52	28	7494	79	416	7679	653	3536	1076	270	961	742	74	301	951	469	43
citric acid	Citric acid	86	134	87	105	151	148	78597	164	139	150	113	369	6411	1157	13473	1468	418	5749	555	238	151	68	612	370	91	56	142	222	117	62	868	1132	470	6213	342	280	158	177	341	1703	239	187	550	215	391	1121	138	601	320	276	535	702	203	86
citrulline	Citrulline	8519	9104	8694	9954	11905	12529	21038	12378	10542	17434	8988	11611	19607	14102	13034	7697	4842	12396	10672	2989	3593	2725	5575	14616	7757	4265	6651	10816	4816	5924	7467	9230	17422	9292	15149	8787	10555	18180	23738	3303	1400	3157	4429	15598	9643	7810	4397	2968	8095	14245	10856	7572	9103	10873
conduritol-beta-epoxide	Conduritol epoxide	1944	1887	1898	1726	700	1968	185	2158	902	1888	1862	283	52	587	331	785	2016	468	224	935	2948	1019	864	55	911	6914	880	180	9072	7844	680	117	380	192	316	249	66	206	85	71	402	2442	2792	6217	524	10153	20	4213	6759	4278	772	307	236	26
creatinine	Creatinine	16023	13240	12340	8708	18766	17129	132915	13506	22249	4023	12856	18640	107739	32206	2822	12588	22994	10318	15932	28766	17212	1643	44646	677	7441	4248	8922	4795	19773	9852	930	12023	6841	32062	1347	16112	6541	1227	14258	9538	7153	70214	8491	5260	4115	14012	1981	9874	113584	5862	49888	8501	48988	218
cysteine	Cysteine	5675	5175	6821	6887	4335	4437	1846	4719	4858	3549	5638	4435	2945	3475	4113	5885	8304	3932	8963	10255	6366	11673	15036	5585	4819	13455	3820	5302	11243	13437	5511	2967	2424	2286	1602	5125	2629	4685	2269	5900	6124	9259	10514	13174	15263	17287	6816	7204	11356	10737	5986	10960	14184	652
cystine	Cystine	344	739	1353	887	622	925	2037	678	785	695	548	156	102	249	182	309	357	386	879	2144	1444	3360	484	1222	365	1002	272	85	1008	2766	414	166	200	437	288	710	156	368	248	1786	525	1141	2111	1147	1137	1230	1122	680	632	185	524	360	178	195
cytosin	Cytosine	610	1431	1462	1411	780	1070	191	1291	1253	1262	1319	674	405	846	1548	2842	2108	3006	1400	1066	232	66	551	1236	826	1152	1731	471	2391	1424	1730	506	1757	2614	420	733	312	339	164	542	953	358	426	213	907	1944	558	1863	2935	604	1850	5182	879	201
daidzein	Daidzein	400	656	650	621	500	571	172	693	408	713	613	88	46	351	489	625	903	476	131	1159	1258	691	377	213	288	761	372	135	1097	1994	189	118	379	353	197	65	101	42	40	266	1017	1146	730	1389	331	6988	240	1894	1364	64	84	461	272	11
deoxycholic acid	Deoxycholic acid	1360	1332	67527	73449	70005	71382	364	72932	70063	452	69689	838	288348	128477	98890	64478	92007	21549	4842	132	465	81	1329	131127	135284	84	298628	2860	89	11605	5161	15443	57204	19780	15696	8421	922997	362496	255431	16475	202	2475	203	213	1824	1358	3749	9972	35	3060	72914	5438	113	976489
D-erythro-sphingosine	Sphingosine	10799	20707	10653	25781	24729	24073	107	14364	23902	20447	11125	2597	10489	6914	4731	1891	3142	4536	4108	3177	8232	5875	4165	1201	22148	5144	13546	3106	7780	14529	3623	8790	6568	3519	66348	7536	17815	111058	39787	4072	2855	1370	1745	13622	1421	7099	4704	892	2853	29320	7291	5675	4010	26354
diglycerol	Diglycerol	2388	3043	2693	3736	3143	3273	2946	3728	3363	3753	3230	3133	2733	2979	5096	3610	2783	4369	6511	5317	2741	1980	5155	373	3242	5400	3648	2376	5364	4684	6185	2650	2920	5837	14975	4445	1305	6781	2868	2725	2817	3236	7316	3814	7496	12263	4564	7129	8259	5183	5229	4941	2620	1385
dihydrocholesterol	Dihydrocholesterol	3794	3173	2979	3471	3170	3278	407	3412	3136	3610	3305	2643	5528	1806	3138	2538	2020	100	444	1122	863	1770	2691	6382	4440	1735	4532	3265	3447	281	3609	5700	1678	1182	15688	22458	26585	7335	5199	7293	1612	964	7800	3776	5581	7994	8079	1937	1448	8170	4989	6534	5871	12017
docosahexaenoic acid	Docosahexaenoic acid	2293	1722	2172	2313	1935	2230	1100	2341	2148	1770	2092	1733	3808	2187	2285	1857	2271	1812	3258	1474	859	956	1706	4988	6681	1522	5658	3185	1086	1812	2250	992	1919	1783	5065	10152	35103	11178	7697	5715	398	1265	1221	777	3898	8163	4742	1825	343	1964	2744	2577	3515	25895
erythritol	Erythritol	19688	21641	21687	19795	20548	20269	2570	21997	20621	22253	19663	22077	25785	12926	45604	40811	33396	52416	21932	18795	20514	6331	58581	2390	9120	26964	11117	8047	27785	19009	56960	6374	17435	52994	322	19189	11263	267	2268	60553	21319	11649	91008	13372	55726	35368	4854	44122	35430	615	4417	10778	11921	6729
erythrose	Erythrose	257	318	354	335	315	339	107	356	298	460	333	482	160	439	513	558	851	197	660	660	289	741	625	126	365	1729	318	144	874	735	436	123	333	329	155	306	119	124	138	238	280	901	301	482	225	225	254	894	505	126	219	489	268	80
ethanolamine	Ethanolamine	34932	36306	35985	30993	30462	34492	2015	39489	33761	35118	35736	41632	20293	51482	33754	74156	70818	64285	31220	13935	13898	29862	13506	17066	15878	15210	15171	35924	26537	9812	32990	23987	31740	36620	23853	37292	26970	14545	32494	10640	14453	21690	14056	14699	13734	9745	18979	54424	47817	10093	13723	19259	20306	11547
ferulic acid	trans-Ferulic acid	5252	5299	5076	4135	5107	5161	411	4620	4828	5785	4754	6316	3527	8470	5571	18398	11555	5505	6040	312	703	358	572	750	2425	8038	3232	722	2580	3703	2588	1220	6083	6322	1566	6925	1002	486	1702	51727	358	342	1172	743	1037	500	5406	14464	2283	1865	342	2778	3713	94
fructose	Fructose	14150	14597	14292	13089	13295	13822	4943	13404	13930	15304	13171	2507	7591	8609	7405	9689	28556	14180	12158	5603	673	1809	582	3632	13299	10694	7725	612	31002	7469	987	2528	7503	20437	13339	6494	5300	3902	2067	1913	1734	6215	910	2364	1879	220	6258	19800	4227	6241	1054	8023	13165	631
fucose	Fucose	159601	165359	159035	150133	155948	159797	10901	168369	155512	166799	140681	147329	121246	186984	32723	93923	135136	152604	81674	42250	26697	56779	54510	93666	168900	170643	246191	54105	299558	154599	49699	29394	61902	38284	108584	164763	44983	28417	54157	78160	74199	35491	52124	145900	76957	44931	63839	201052	229455	34776	33659	114905	91050	10714
fumaric acid	Fumaric acid	2387	2393	2259	2247	1762	1990	1968	2240	2036	5612	1817	2557	4079	4471	3020	4610	1903	2299	2717	1592	1322	1545	3149	2240	1697	1593	3073	4017	1622	608	7372	1046	2272	2459	3335	2758	871	1845	1690	3783	2543	1541	4452	1518	3814	3706	1620	2018	3523	4889	2681	5905	3837	1652
galactinol	Galactinol	39319	41384	40535	44848	40915	41641	6472	40674	36801	38062	35062	2489	3278	3185	3919	6975	3986	7624	3110	430786	164151	247695	65868	800	1689	1878	1513	1385	4924	3479	11980	2299	3731	6532	303	3990	1674	315	1060	23237	275539	456876	12822	15682	2152	1904	4529	4761	3009	327	1548	2522	1061	1415
galactonic acid	Galactonic acid	1226	1253	1091	1042	1052	1013	382	1087	947	1044	821	848	568	919	173	922	551	1538	1060	4724	2194	6126	789	418	699	1297	763	431	1139	1370	651	809	1217	333	308	710	123	214	268	740	2464	1648	766	2521	1037	817	1621	1195	1344	1053	491	1222	849	35
galactose	Galactose	94587	96209	92682	84662	90191	91431	2812979	90956	79453	76224	83812	38594	107185	70006	31834	94667	43251	58226	56930	987538	1232723	27866	175994	186150	85495	125740	76998	112792	91917	176648	9998	106831	85492	20600	171996	57862	66445	49795	143129	164648	17617	1304419	225747	699212	65955	38568	138003	224367	18184	123176	110560	56805	69133	17337
galacturonic acid	Galacturonic acid	9916	9827	8495	9106	8352	2605	1285	9173	8329	8436	7734	4242	3646	18949	17208	20250	4729	13493	1015	11281	20966	16817	1985	573	413	689	4454	477	948	1104	701	2617	14766	7471	3704	996	1915	1517	2227	2461	9183	12990	8317	26505	7935	1053	9683	417	2162	458	1029	1173	1752	251
glucoheptulose	Glucoheptulose	7788	7816	1713	1424	7557	7860	486	8193	1607	1849	1491	1023	592	1065	636	3837	3025	1026	8868	613	1034	22213	22985	278	1111	2484	850	285	1036	1476	1216	167	641	859	1727	1540	462	911	332	4415	626	425	576	1272	61	609	434	5387	1211	622	520	927	830	174
gluconic acid	Gluconic acid	1243	1384	974	255	1078	1122	307	730	664	1238	971	135	527	199	378	672	386	576	257	5734	1734	7487	422	478	108	153	102	95	400	396	316	232	186	1014	68	136	142	109	143	112	2941	2001	118	2764	55	48	105	298	35	62	71	236	106	150
glucose	Glucose	284011	288050	290470	258501	271265	288652	824460	299533	300091	309256	278941	203510	24232	142702	81473	158988	179570	201632	243291	507984	572913	323006	33497	38609	194740	34426	124507	24402	176730	41120	54926	20370	125820	147346	34083	258166	14297	3952	26704	34326	388883	505751	53728	201269	30684	24704	26155	56196	57101	27263	20127	119512	117780	3192
glucose-1-phosphate	Glucose 1-phosphate	2114	2287	2161	2310	2039	1488	2667	821	1987	2021	1485	578	1157	1211	2335	2804	2027	2126	2397	3230	2048	2972	1922	1090	1293	4172	2036	331	3828	2440	2477	845	1109	2599	1927	850	490	865	1499	3919	2567	3046	4373	1443	4693	8656	1231	1841	1370	10610	6354	1840	1485	1556
glutamic acid	Glutamic acid	116287	127442	128636	140491	140581	137109	31071	141215	150821	157222	131989	149529	133765	151175	206914	145002	89371	264078	218545	26366	74176	7289	111936	131414	36149	197263	66825	106293	102171	141200	311417	159481	241842	102141	49182	165295	73958	125912	144976	249703	11521	14859	251861	13577	819102	858050	85732	66045	202210	70936	205300	116213	50051	35020
glutamine	Glutamine	2795	3172	2754	4912	3501	2933	85317	2551	3870	4215	2769	7631	10974	5813	3566	4026	3013	5001	11710	1674	1482	824	4090	5444	1480	6005	491	5892	2551	13483	6762	6643	2370	3912	31015	4885	1623	11187	26058	2764	946	1356	5119	2956	4006	3429	1421	1863	2246	9331	4806	5016	8070	1644
glutaric acid	Glutaric acid	365	302	405	262	390	428	414	381	425	469	375	556	593	359	721	372	359	856	487	127	77	31	214	791	456	68	424	471	106	201	228	1791	403	536	851	341	647	324	432	1138	119	147	219	60	950	174	1251	155	153	607	528	639	389	213
glyceric acid	Glyceric acid	17966	17673	16584	15021	16397	16701	3789	19685	17152	19304	17072	13688	20558	16245	19822	9472	9573	32553	5258	8175	9734	4323	5345	5131	3494	11651	3833	5441	5052	6104	13495	6526	13613	2445158	4693	16972	6830	1879	12169	7438	6624	7224	10033	5986	9614	2450	3436	10736	10816	1843	6870	12006	4411	2685
glycerol	Glycerol	101531	106755	97129	88104	101684	102358	53036	112993	101260	105529	99745	53773	160395	75825	56717	58803	72042	69287	42043	26063	65330	178958	25102	45283	38739	70247	50235	60507	38136	41717	91335	56328	74056	43506	54738	62484	91271	31160	118912	37517	27406	80641	24864	21620	45598	20285	52799	44975	70380	20532	49306	55777	45459	14150
glycerol-3-galactoside	Galactosylglycerol	20705	20093	27837	19534	28221	18693	890	21592	19507	22169	25761	3252	3030	3256	8626	6091	29358	32284	13350	46601	91572	143104	12835	2148	4900	3235	4102	3221	25757	3777	8243	3354	8374	17572	717	12655	1419	657	1997	17958	19870	104583	23168	24705	10247	6996	2759	10544	5066	726	1764	5815	3103	1434
glycerol-alpha-phosphate	sn-Glycero-3-phosphate	807	1256	1342	1464	1279	1642	1796	2012	1486	1972	1775	1461	1665	1788	1796	3874	4273	1335	3279	1375	1325	2766	3408	1536	962	3048	1866	1249	2708	3175	2631	745	1378	1515	1916	2402	467	798	1078	1805	1848	4085	3718	1192	1681	4450	1209	5020	2342	1012	1375	2490	1727	588
glycine	Glycine	82965	79738	74683	68159	89631	74907	217580	79790	84768	77469	76802	84482	122621	75650	101030	58143	63072	180584	111956	20867	36735	31175	13268	43115	23280	103780	34703	56571	96496	134525	117175	59324	87330	111565	22418	57675	69943	75403	62630	51194	24618	33927	28150	57764	21043	19555	51099	109384	120290	49884	97677	80142	59316	110130
glycolic acid	Glycolic acid	5409	5421	5041	5066	7632	7166	6529	7973	7512	9871	5626	5805	2376	5523	4909	5912	4004	3922	4506	2162	2173	2139	3859	3072	9670	2455	6846	5969	3254	5228	2407	3110	6774	1353	4988	5438	3087	1843	3956	5551	3663	515	6229	3091	11688	4466	3445	2837	2189	3171	3072	8513	18591	2899
glycyl-proline	Gly-Pro	5526	2221	4747	6085	10207	8152	160	5524	9767	9088	3627	6316	4731	5539	9457	11653	11659	11721	21168	13499	6878	17862	2047	11242	3620	7782	995	7297	9128	669	3129	20058	1770	456	69071	662	2757	35101	3159	1246	6248	11469	3349	26264	1593	2788	2061	3080	5107	3662	3681	6481	16766	6395
guanine	Guanine	4951	5273	5507	5008	5435	4854	235	6851	6420	6926	6669	7027	5011	13767	9765	9189	5548	12168	8793	5182	2741	1861	2001	6660	4747	6328	11063	6581	6638	5752	8568	4394	9251	13856	1054	11232	1548	764	6127	812	5724	4169	1797	1582	283	495	6029	8405	14689	756	8816	6575	4447	2087
guanosine	Guanosine	910	831	860	777	453	849	473	950	814	980	566	307	100	1322	76	457	228	231	118	3973	2581	3423	1063	48	98	33	73	91	11	46	95	60	93	562	422	1108	1064	82	1389	326	2958	2159	2579	1959	175	159	60	66	46	113	44	113	129	700
heptadecanoic acid	Margaric acid	15018	15304	14232	13737	13773	14273	17756	14897	14775	15828	14730	8327	40465	12993	16336	11209	13304	4559	14075	16326	15041	32779	13124	6700	10766	10838	13325	6123	8478	11772	12395	13047	16945	13655	23014	18242	60328	33095	26936	32836	9870	11109	10576	31048	15657	19512	14133	22435	8165	11698	20534	9696	12287	41073
hexadecylglycerol NIST	MG O-16:0	3115	2945	2724	2537	769	2861	254	2955	2511	3040	2623	1851	3071	2292	2781	2441	2474	3012	3313	400	2478	3097	2929	393	2835	2373	3464	2171	2006	2614	1666	3321	2738	2914	4944	3700	11656	3112	3330	1751	3334	1475	4743	3656	13829	531	2965	2079	1961	1940	4696	3209	2364	2260
hexitol	Sorbitol	2069	2513	2620	2398	2410	2441	5444	837	1204	2589	2322	2625	1994	1572	2305	1427	1894	1775	2442	181	3500	2090	1866	297	1335	1089	1238	1800	1517	3253	10025	828	654	3196	6094	819	1648	362	428	1039	4332	399	2363	10980	1685	765	358	2115	2590	740	1866	1077	372	1034
histidine	Histidine	16535	21147	18203	23092	24900	26770	24207	25771	29954	14442	20216	12921	29955	13113	15413	5014	4485	25258	5412	4120	39836	1548	84377	8291	17292	25988	9573	12412	31185	40681	19254	10246	8284	23596	14530	19236	6544	18528	19113	10024	1647	3549	16265	38529	52118	70589	5485	4666	13294	14172	4344	8271	3625	3337
homoserine	Homoserine	2621	2577	2677	2745	2328	2269	1338	2224	2146	2118	1993	5795	2695	2105	3900	2855	3133	3526	2883	1108	1927	857	1843	3273	4966	2077	2281	4226	2070	1448	2878	2487	2608	2152	2983	4579	2464	2445	2033	1073	927	1057	949	781	1058	789	3098	1897	3568	1882	2386	4668	3657	2457
homovanillic acid	Homovanillic acid	1083	75	87	965	76	100	103	1168	1169	1151	1300	231	56	144	3201	935	93	117	126	43	34	39	99	829	84	46	83	72	100	148	165	89	116	449	95	85	905	31	34	3919	71	88	2409	42	128	2110	39	1731	148	2345	156	162	1672	86
hydrocinnamic acid	Hydrocinnamic acid	14667	14171	13215	11988	12619	13784	5115	15148	13416	14921	13019	2376	47058	13636	10653	4335	4663	12343	2140	4488	10993	4650	5643	2982	12473	4909	12315	8845	9218	10323	1862	10395	10576	8405	13386	141982	28957	10794	273287	6376	7584	4185	5663	538	3672	1392	3487	9171	9080	45253	7523	2844	3936	2861
hydroxylamine	Hydroxylamine	55417	86096	67121	65712	39888	48451	169869	66973	50174	21854	64047	50526	93089	85360	141211	121371	103471	86033	25328	103322	55304	66643	92361	70708	40898	76582	69265	61809	96079	45701	96848	24440	93271	122922	52479	42871	102112	36157	56729	274262	43086	110496	236536	27516	71665	110345	112441	115474	91745	90568	153526	107979	30682	134176
hypoxanthine	Hypoxanthine	11813	29325	29959	25794	28923	28060	567	31403	29015	30399	26614	80297	34084	45887	11110	24441	7268	4611	47256	10554	4935	2035	18234	28731	20624	25605	30095	17883	18172	11961	28959	11669	25851	15413	53041	41467	26292	18341	34791	3687	12538	8387	13990	9416	16833	9408	19405	11530	33105	14817	38175	25271	54891	9838
indole-3-acetate	Indoleacetic acid	14541	16117	15084	14752	13998	14488	480	16308	15222	16225	14511	29523	26268	12140	35324	11044	10300	22789	20430	1399	2741	1176	5408	19468	19536	1881	18946	18987	2597	3010	8584	19212	19609	19356	18489	10317	7488	8158	12216	4562	2331	1627	16894	1212	37899	32660	19255	4959	5372	26936	22444	27219	26096	1648
indole-3-lactate	Indolelactic acid	88708	84830	83973	76556	83077	80490	2091	79888	81394	12044	7174	224874	91124	119114	86243	111488	72690	109199	174821	36764	13271	16772	102119	174489	188639	87141	167366	80574	134430	100407	65124	119259	124966	131844	453636	173354	33221	146971	137287	75418	52946	49034	184909	44683	76864	132340	226012	90003	112091	338952	150809	204941	173939	1430
inosine	Inosine	685	572	261	531	706	716	2968	580	781	563	355	583	115	2594	897	280	251	476	306	3823	6445	2182	1744	58	55	50	75	421	82	49	539	148	130	759	1224	2008	1010	169	1821	1032	1582	1981	344	4078	1245	557	29	262	58	146	32	83	323	727
inositol-4-monophosphate	Inositol 4-phosphate	186	218	195	214	170	156	100	202	189	275	149	599	4918	715	747	512	201	1030	413	146	170	322	411	492	177	123	278	204	102	61	879	811	323	1640	598	163	1839	738	1196	332	136	136	658	288	122	242	408	149	110	479	494	418	126	1533
isoleucine	Isoleucine	303802	305350	299760	273205	274368	255786	246682	294967	275162	281554	301838	295526	537925	470667	416702	237636	146928	366150	156059	106283	135550	154899	70000	531090	208593	202229	247908	534667	239160	218687	365305	390809	379818	186553	110720	350388	286596	454643	434297	104461	99268	92525	23970	130426	43098	30603	375271	203031	391233	491168	389122	346092	287781	409966
isomaltose	Isomaltose	106291	95867	101678	99796	102385	102660	752	100908	89484	98435	88237	845	500	2263	1591	2932	17462	4387	11278	309657	396691	288467	6057	370	2149	1048	1202	354	23830	645	989	115	839	4564	246	36924	269	112	153	2779	240097	529690	2792	141957	1124	1559	468	3536	636	108	340	928	1110	183
isopentadecanoic acid	Isopentadecylic acid	46505	50945	51432	41358	47686	18653	9510	55458	51382	46127	49782	58602	126295	55592	30748	40489	35292	25355	42366	32810	26776	27598	49252	13906	18580	256801	4918	18120	78244	20131	26190	86863	56797	44950	173882	85486	149391	137274	98127	10430	24276	26049	34491	25794	18883	12033	13383	22416	32637	8161	8889	15408	4901	116494
isothreonic acid	D-Threonic acid	1584	1640	1624	1475	1159	1366	1639	1636	1636	2011	1528	1230	7984	1656	4525	2857	2946	9641	1610	1654	1160	407	1636	217	426	1061	463	790	2133	822	3568	1136	1143	10092	123	886	1181	144	381	3634	1058	1733	2661	2678	2616	1793	888	2359	556	363	1527	1355	401	408
ketohexose	Ketohexose	482	779	704	687	550	795	172	845	737	1137	660	420	235	367	762	763	244	1702	612	393	504	874	477	231	373	860	258	175	402	187	236	132	1333	787	257	402	90	69	120	602	403	629	108	479	568	362	256	156	231	155	110	367	434	57
lactamide	Lactamide	604	1004	625	761	1679	1703	2802	1880	1394	1525	911	62	49	652	150	452	1867	49	104	5441	5282	7454	2180	95	440	11786	551	77	4787	7380	775	65	376	35	40	69	51	29	41	773	4881	7820	268	6263	122	119	437	3013	3519	20	622	172	202	48
lactic acid	Lactic acid	739558	752388	704277	675594	939543	881819	1140075	739417	675747	427353	696979	6089	4279	554845	34803	381004	1912722	13833	25134	1103164	1199654	990808	897705	4123	368265	1166769	317471	15082	1481956	1692997	578516	7374	224210	6442	6471	8033	3182	4302	3129	288190	1319197	1514659	90131	789976	32283	19338	291145	1067482	1057887	4001	399977	54165	85587	2810
lactose	Lactose	2829	2151	2443	911	2329	1986	185	2467	2019	2337	1913	1140	570	165	948	5282	5591	2728	4645	36222	18336	20277	1193	220	125	105	144	75	112	410	541	128	1551	7022	545	4527	220	394	1141	991	17636	25149	596	5429	487	627	79	123	313	127	36	152	1264	135
lanosterol	Lanosterol	1332	1133	1067	1074	1060	1097	125	1174	42	1279	1143	53	942	558	1089	3872	1104	1017	57	559	33	400	957	1057	9	657	863	824	40	96	1671	153	700	1144	3821	2122	1807	1936	1042	101	914	478	2517	14	36	3082	205	1332	17	2376	58	264	811	867
leucine	Leucine	433061	405103	439496	459753	277658	307447	226522	321018	300620	352890	512239	429712	615465	630079	632516	351547	323850	527409	262569	234831	185087	307417	139897	659123	281004	307402	248779	1162806	350129	242027	523083	515898	390563	305765	109184	465800	447827	583630	468154	162810	108699	214707	66628	209350	106190	67543	458610	355841	760321	571986	531527	444870	464254	575863
levoglucosan	Glucosan	1463	1369	1410	829	1390	1297		1569	1530	1971	1270	848	1499	429	1138	1425	1506	827	1085	1705	957	535	5100	347	4896	435	2566	212	1134	836	878	166	2906	1085	61	1563	664	193	182	1967	802	1351	6864	4767	8500	1506	71	1383	1290	1124	139	509	6521	511
lignoceric acid	Lignoceric acid	2059	1012	1633	1634	1780	1519	627	1915	1614	1743	1658	1388	6071	2999	5689	2975	6018	3828	2899	5087	5917	9488	3291	2562	1645	3817	4668	2016	4104	3851	2607	1851	1191	4614	1498	5393	8201	3015	2447	6050	5071	3848	596	4470	2731	3270	3543	6622	2278	2007	4185	1613	2992	5346
linoleic acid	Linoleic acid	43128	38578	40660	34831	37740	36246	1693	41183	39791	40533	30528	33510	66759	31325	9196	14512	26276	16509	19116	20761	35026	26642	19021	25191	30569	10094	42743	25932	12842	19921	21833	26663	21446	19387	19507	34052	131170	43979	74905	28250	24418	5463	9722	9598	28445	6285	25608	20605	14237	8614	2203	32961	28033	73935
linolenic acid	Octadecatrienoic acid	3280	4199	7489	1928	16443	3108	4203	4974	12486	37779	3693	29205	12061	27187	2701	6030	24726	4179	13854	19768	32191	17453	16657	3045	1541	1466	8867	7909	10988	10796	4703	26154	13243	1730	13919	14759	59651	5902	69843	28207	9326	15711	2556	9379	16857	9263	17629	18421	13678	7440	9154	10427	11131	39082
lysine	Lysine	111040	155091	124027	182800	137204	171147	76055	169659	170970	174415	125299	116383	110705	135480	149665	73634	53280	245005	61094	27326	47095	19439	33296	118745	249059	34120	129437	78112	166640	76949	68867	83591	103404	116647	183360	219732	90432	246509	250269	11134	26214	30863	43064	86528	40669	41558	56409	34749	63298	213209	51550	101002	52660	35364
lyxitol	L-Arabitol	14860	17739	18294	17649	18639	16880	2351	16074	14512	16850	13616	20392	17461	12918	25311	16609	20166	50775	10014	23475	7478	9426	18260	3239	4177	35578	6063	7226	78582	23045	45735	6467	3251	48868	5143	9960	8151	3528	2519	11888	19308	20823	5123	12730	12707	2656	8674	32458	34821	1987	2145	8044	2113	4816
lyxose	Lyxose	33358	165750	159308	147329	35544	32462	1702	157244	149997	28942	32574	241338	3785	27640	12586	65113	14480	13392	66192	15405	4616	3964	7061	6445	142166	226365	21206	3421	2376	9055	6369	3159	118802	46273	25510	35673	4523	2974	17070	12893	6435	6782	50046	4178	67582	1107	57571	15084	738	28609	6917	12822	20675	1266
maleimide	Maleimide	2116	1883	1501	1764	1932	2202	10252	2932	2036	3073	1827	1629	1252	2065	1172	1898	2524	1230	3039	2407	2236	1802	3934	1462	1703	1549	2835	918	2870	3470	2080	754	1492	1085	3946	1911	929	2810	2221	3066	1637	2117	4259	4913	3509	7734	1238	1877	2080	3780	2094	2864	3004	1090
malic acid	Malic acid	460	404	313	322	377	428	2423	503	332	437	364	537	379	709	631	442	670	680	858	228	106	147	206	158	162	483	210	154	325	391	1937	136	143	611	479	530	122	199	264	250	339	120	386	73	354	286	476	334	1105	537	352	1133	480	105
malonic acid	Malonic acid	171	205	114	132	161	119	53	142	51	181	103	266	903	212	342	468	499	211	410	132	184	65	206	364	174	130	245	193	109	142	158	231	228	95	420	349	163	294	294	563	168	135	491	188	313	386	307	227	122	375	248	304	303	77
maltitol	Maltitol	1030	1746	784	1493	835	1525	1934	1297	611	1603	1589	278	168	566	280	239	948	232	323	7544	1952	2184	793	740	561	154	194	108	583	317	64	85	647	136	155	1414	40	48	55	384	1366	2673	1372	751	832	1036	150	852	348	262	88	328	842	46
maltose	Maltose	77218	70118	68992	62325	74894	76864	3125	65956	62333	67298	63094	42498	2928	97291	81786	43022	172895	211561	154840	123535	88407	76926	10633	12545	13907	4142	13253	10122	65374	5568	152459	9076	67407	342213	4744	84795	3235	3048	5644	4026	45786	247470	4691	33687	3987	3284	3033	7900	41820	3606	9842	45546	21698	2375
maltotriitol		1346	1213	1195	1004	1102	1070	116	961	781	3455	424	41	33	161	162	382	3232	1404	1121	3823	2566	2754	2949	34	34	47	33	51	965	104	96	26	71	497	36	2432	39	29	27	19	1960	4745	602	643	71	62	163	213	24	57	76	103	36	45
maltotriose	Maltotriose	4606	1976	1956	1428	1672	1723	1404	2918	997	1944	3844	62	220	110	2025	1379	3485	4101	1481	6244	13705	4113	2969	467	38	113	312	329	1092	121	3050	129	633	10792	291	991	97	96	100	2342	1907	12810	995	16006	1510	273	256	588	66	155	204	1354	711	163
mannose	Mannose	155627	154857	153904	140934	149347	148652	119048	145536	144249	155094	139166	43274	12436	14075	6903	10498	75498	14793	36987	143469	14196	1185843	52672	10222	50638	7213	33370	5766	16069	5334	2742	2198	10533	6498	84148	61209	6900	5282	9715	24261	1555487	4674	36628	911662	6795	1402	27243	42208	4581	14027	2777	20938	36572	2622
melezitose	Melezitose	1228	1073	1092	1197	770	832	163	1078	858	1180	497	116	93	150	43	73	199	41	161	14966	491	20611	1801	19	159	191	18	27	1132	298	41	182	106	69	267	361	48	28	42	287	19399	5400	4353	439	10651	792	324	771	126	9	204	27	32	23
melibiose	Melibiose	411	1501	1589	1552	1972	665	107	753	741	1635	1372	50	17	105	46	46	1045	118	505	1352	985	5232	357	15	48	30	1304	23	1836	59	26	42	15	142	125	1161	19	47	34	97	1560	1411	118	2663	100	61	51	44		50	172	37	35	30
methanolphosphate	Methanolphosphate	126	192	136	94	986	1010	4482	888	827	1233	950	80	567	91	949	99	115	199	753	1300	1164	1092	1285	553	984	1315	1079	601	120	1438	96	619	1110	174	1712	802	1233	1055	690	2580	1267	1698	285	811	375	1384	141	1385	1336	153	76	73	998	1253
methionine	Methionine	31636	30097	32545	35733	23986	23644	10268	23397	21992	19714	33727	84112	50512	70197	60538	34130	17681	83220	71773	13653	18036	12394	25722	80215	41165	26076	28999	52722	25455	20355	60724	65804	42596	46592	11606	65270	30060	70473	48191	23995	13928	8339	15335	21783	22036	19808	34408	12060	47197	102264	40070	66101	62360	24545
methionine sulfoxide	Methionine sulfoxide	22811	26971	25609	29162	26224	24734	4031	29486	24707	39994	22918	19198	60493	15546	30389	9685	6090	45203	12838	3790	8066	3618	5559	21008	15470	15038	16920	22014	16390	7929	24816	18707	18150	22447	11542	10425	22482	26331	40188	8932	3761	2118	8687	3766	12807	7177	20850	6003	9663	21229	13563	20248	12517	26622
monomyristin	MG 14:0	855	849	682	692	701	666	107	761	684	841	152	499	883	258	109	94	160	168	597	153	222	166	201	109	503	131	1322	366	149	383	707	254	115	100	265	576	530	611	953	572	110	182	206	104	428	87	581	193	201	232	99	695	317	253
myo-inositol	Myo-inositol	35884	36334	34845	32188	33631	33013	58929	35643	31949	35964	30699	7893	7457	37122	12582	13904	29121	21700	9829	14858	75455	68742	23878	1720	27956	36835	17738	12488	50022	71466	97357	5630	10593	16614	1839	11717	6681	1576	3862	3698	4215	6312	2298	101536	1619	1348	7531	45405	47169	3741	5565	7010	2494	3706
myristic acid	Myristic acid	4673	3369	4264	4198	4238	4547	8309	4249	4614	4787	3767	2312	5325	2472	2370	1947	2061	2018	2650	4007	4601	4733	4156	3606	3914	2517	6146	2278	2525	2858	3581	3429	3550	2323	7897	6214	32007	16659	13736	5488	2627	2609	6383	3342	8682	7252	3583	3249	2335	3372	3999	3282	4278	20683
N-acetylaspartic acid	N-Acetylaspartic acid	6802	7386	7001	6148	6970	7041	693	6825	6622	6902	6357	12685	2545	9096	16165	17287	7844	8944	4070	702	1793	534	696	1268	4826	5086	4411	2252	4593	4156	10046	2758	5725	3350	1460	4054	458	468	385	2831	2049	928	4386	2846	1375	937	2492	4279	4071	1562	3958	4645	3851	198
N-acetyl-D-galactosamine	N-Acetyl-D-galactosamine	28901	37280	37068	32542	33332	35639	436	36755	34412	39243	34029	38911	25715	51065	25296	34434	13282	43402	36526	2099	5390	7984	5831	18250	43855	7341	44224	11503	21324	10009	21780	6340	73010	14901	32193	41473	13006	11702	35004	5298	7958	2570	30972	2515	17683	2114	8631	18611	6040	13496	13621	42526	44539	4536
n-acetyl-d-hexosamine	N-Acetylhexosamine	3109	3429	3520	3526	3354	3410	523	3604	3359	3329	3768	2370	2809	3411	2348	3424	5675	4443	5606	4090	2000	10231	898	1021	5031	1306	3255	698	9666	1434	1479	607	3121	4839	823	3338	595	870	553	10041	2893	10588	2874	6707	1772	1459	3331	3439	1703	877	618	2206	2068	229
N-acetyl-D-mannosamine	N-Acetyl-mannosamine	18860	18665	19481	15607	17630	18224	7629	19624	18140	19616	18118	22532	6336	20547	9203	10897	8774	12854	23052	4441	26191	23216	14445	6044	27303	12795	36692	4181	24661	18475	34237	1176	30790	9167	10384	16935	3086	3738	8788	1814	8358	1885	12867	25211	14136	941	2213	16182	14392	3926	4968	18565	24290	1836
N-acetylglutamate	N-Acetylglutamic acid	526	371	371	313	465	437	147	418	450	503	356	558	632	334	894	398	661	755	1009	218	155	102	532	980	351	179	294	894	1466	1080	3350	438	761	1126	223	735	197	144	364	650	338	222	773	205	1789	1664	518	968	405	379	1358	580	458	154
N-acetylornithine	N-Acetylornithine	2009	2491	2300	2492	2211	2216	329	2536	2152	2580	2177	2839	351	1452	989	1029	1153	1390	1300	291	387	240	1000	1065	2720	1999	2784	658	5301	2066	803	1028	1663	456	7208	1205	734	1928	1483	1423	407	178	1738	1632	1593	2788	4287	696	1114	6682	2214	1781	1376	6395
N-acetylputrescine	N-Acetylputrescine	2003	3085	1970	1571	1480	1620	16900	2398	2585	2643	2814	3361	2175	6383	9062	4676	2873	8832	3806	16407	9290	23977	12201	7756	8602	655	20865	2427	58270	27127	2376	13445	3739	3799	41711	3959	1732	7330	10840	4210	13062	11896	8920	1196	11273	3401	57018	1573	2816	17589	7388	23971	7547	5189
nicotinic acid	Nicotinic acid	20071	19948	18182	15993	18406	17797	339	18797	19746	20294	19207	37799	8399	31097	25416	30478	16444	10028	29367	6287	10626	6084	12797	13739	24086	18615	24376	13161	13616	15834	25521	16862	30442	6175	11737	26439	3291	9425	9955	7885	6488	5967	20632	5821	22912	13512	23542	11580	21039	11263	11791	34060	29140	1103
N-methylalanine	N-Methylalanine	61815	56788	57387	58519	47798	48338	20655	50336	45825	51156	66998	98210	75124	62022	55564	52292	25080	68705	51194	2743	42966	15884	78821	193945	168970	3193	71935	241196	5236	7311	126742	166262	70539	16418	61244	144984	148028	129116	106351	33642	20583	4320	11771	63860	14187	7468	12805	3955	17132	5229	99489	21752	65772	173467
nonadecanoic acid	Nonadecylic acid	3927	3843	3868	3487	3415	958	1523	4126	3579	4270	3629	3043	4645	3120	3641	3430	4070	1077	3537	3648	2257	7526	4703	2095	1586	3056	3713	1565	2951	3131	3004	1958	3632	1748	5277	3004	7970	5068	3976	2513	1793	976	3535	5106	3031	3595	2777	4720	3302	2688	3678	2215	2813	6791
norleucine	Norleucine	1600	1479	1646	1743	989	1046	257	1201	1103	1295	1922	12427	597	661	1777	2604	1474	4515	11704	4444	130	136	314	582	1772	4090	348	666	223	4716	763	2418	2155	14867	185	5862	1348	1245	434	458	6284	141	367	92	357	378	460	13041	3097	1054	835	1155	434	318
norvaline	Norvaline	6039	6176	5273	3494	4624	4119	1787	4852	4230	4946	7446	12130	1270	2523	4374	5480	2776	7965	29304	605	1749	463	1885	23276	91032	2022	12634	82664	515	854	2321	5094	9336	769	815	12135	6072	2513	696	4530	396	1233	1827	289	1012	677	2143	1205	2656	2376	6333	5741	3796	1579
O-acetylserine	O-Acetylserine	640	875	448	413	532	433	97	399	617	651	775	826	197	1319	316	1719	1077	323	755	905	1097	569	1109	495	664	599	351	583	706	509	489	139	480	263	193	1653	303	153	384	792	718	715	766	462	778	289	3107	449	214	604	334	887	1034	199
octadecanol	Stearyl alcohol	1678	1550	1473	884	1428	1170	1276	1645	1416	1979	1534	370	2254	469	2252	689	786	1220	678	446	480	423	850	1181	594	871	439	379	620	578	558	1047	1339	855	3055	7283	13955	3274	2155	19001	448	719	4196	471	5210	2179	854	682	498	1566	1527	818	619	4917
octadecylglycerol	MG O-18:0	9676	8208	8865	8496	9638	8660	326	9424	9176	9245	8482	3296	19597	4662	9178	5127	3149	5925	6971	4568	7508	6455	5150	10816	9167	2815	6921	10526	3337	3136	6735	7024	9511	6219	20176	21380	36903	30710	15874	4463	7686	7885	4367	9260	3571	2306	8851	3040	2915	9760	21682	9749	6451	24326
oleamide NIST	Oleamide	4337	4683	4585	5571	4604	6142	1044	5810	5388	2991	4864	1283	6131	3838	1450	3698	4083	1259	1140	12590	2259	3720	3614	542	4062	12632	4237	912	5275	6863	3700	3652	4778	4441	11048	957	5234	5559	8698	2690	1894	17550	2772	6943	4198	1887	1520	5478	7685	4432	2159	8113	2917	5405
oleic acid	Oleic acid	77868	74838	76860	67688	72681	72107	17794	72588	77788	84000	67850	38721	90879	49843	46947	36818	51278	46272	57870	56411	73389	77772	36568	29660	50537	34073	77235	33357	30313	48050	39114	120991	59109	60621	62801	65379	315898	152270	151098	95016	41139	40531	17496	46999	71338	54407	61967	63320	31053	36784	46029	44101	48222	193852
ornithine	Ornithine	59589	68608	65886	68637	68787	69656	118274	66648	67244	64651	61447	34968	31391	32938	42630	10190	12388	53552	44368	99874	83968	136768	60453	31204	23571	111286	50383	30407	239485	131363	17173	26645	18895	20713	72313	32696	13676	59421	43675	23321	105420	52758	39208	40464	83075	69861	118723	6129	12369	97214	36057	84042	30331	14342
orotic acid	Orotic acid	1129	1014	1004	981	1014	1156	210	1455	1267	1477	1081	4072	857	1778	2707	1294	968	4105	7821	220	103	158	299	4099	1457	496	1789	506	919	711	3224	1121	2652	2620	965	6538	326	5564	2438	561	261	110	412	105	334	966	1110	1146	440	1685	3242	2557	4151	225
oxoproline	Oxoproline	287942	302950	302406	294547	267978	285905	192339	307017	275684	300891	273627	165003	156969	136780	220438	326329	186723	300123	219028	294365	392515	189679	727638	132930	40990	693484	50264	161464	263569	428291	661308	97573	101863	226898	56260	143472	66266	53235	81033	378795	216524	366173	1182053	373754	946200	1165512	109077	165105	314229	110889	318046	205007	81090	108211
palatinitol	1,2,3-Butanetriol	3550	3643	3923	3673	2531	4355	5999	3865	2526	4399	3431	321	562	459	525	1340	2729	493	1762	15192	2879	11675	3928	480	626	1402	251	261	349	111	79	257	569	485	959	6772	143	270	266	3705	6693	18076	1191	8222	461	561	237	2374	127	215	120	500	396	99
palmitic acid	Palmitic acid	157103	153071	146858	134204	143883	147037	100167	144892	156514	168195	141165	63112	173704	77297	91940	76325	110640	90524	125667	227999	190818	358924	150366	81434	99291	110630	150102	54435	101889	135885	110339	145821	113583	113643	152285	140421	641946	336983	260911	302929	114118	126583	136346	282228	221312	211463	176186	211287	84709	110144	212890	116529	153629	482436
palmitoleic acid	Palmitoleic acid	4202	4321	4562	3711	4042	4388	1069	4685	4120	4612	4304	2426	5111	1933	1480	1415	1700	1518	4092	3419	4568	3366	2482	1831	2500	995	4516	1362	860	1291	2276	5844	2733	2306	4307	4802	59314	25130	20158	4303	906	1540	1473	1632	6091	5380	1768	1515	1099	1460	1049	2616	3279	38016
pantothenic acid	Pantothenic acid	1435	1903	1778	1593	1450	2041	197	1972	2011	2221	1785	3261	603	3542	4036	2179	1174	4253	3051	764	842	687	2194	1533	2915	609	2701	1468	1106	917	1895	3236	4561	2213	1089	2049	226	994	1115	1673	800	188	2769	479	2176	2821	6599	1499	1762	4465	1741	3940	2636	159
parabanic acid NIST	Parabanic acid	1206	1343	2017	2749	1001	1436	1511	3560	1462	14669	2879	1401	7602	1107	12139	1539	1991	14876	1376	2104	959	2691	3990	2219	1099	2408	1750	3567	1396	674	12963	1067	1948	23079	1292	1160	2823	1511	1437	3225	623	2533	6079	1598	20570	6639	2663	6518	4215	1360	4252	3871	1100	4887
pelargonic acid	Pelargonic acid	12029	11258	12988	10761	16881	10805	44059	15928	8820	19580	8360	6353	8549	11064	13587	18367	16234	2308	7043	16240	11172	11997	15404	8986	10058	18196	12899	11094	18786	14442	10130	5612	11656	1353	10730	8913	9981	13480	7795	31251	11820	16302	33388	8498	15997	8873	10835	23282	15241	10366	15795	14668	11836	8502
pentadecanoic acid	Pentadecylic acid	27093	28365	28141	25932	26675	28463	31334	29916	27879	28575	27953	40806	96730	39128	22053	23378	17767	21222	27892	14747	17510	15789	5939	13775	12498	5710	11656	7112	8889	6064	10644	40339	30460	19963	75890	93210	118284	68482	63020	10376	11086	13001	11437	10036	10089	9721	9384	10194	6110	13873	6254	14795	15732	46327
pentitol	Arabitol	499	629	523	573	547	725	60	850	596	825	520	531	344	301	164	449	284	328	353	504	189	301	1984	343	297	1101	1017	219	49	971	1002	83	344	176	62	425	141	44	132	2470	501	331	4632	752	2493	371	175	587	946	195	89	231	755	36
phenylacetic acid	Phenylacetic acid	14537	14517	13950	9867	12425	13024	978	14429	13363	14315	12959	17538	14741	3737	11171	15520	9453	7276	40862	3348	549	86	12919	25473	6126	219	11548	15431	1656	632	1253	23787	19565	1656	50800	27571	59387	37885	23869	27629	927	137	26979	341	44851	43850	4535	398	937	53934	10270	13650	18722	63566
phenylalanine	Phenylalanine	135101	148476	147339	128692	144598	139966	81198	151429	145910	146919	128841	179070	171797	190045	167173	112771	78220	191973	110967	86750	121150	109332	66031	206455	237050	100218	214087	376036	134112	130350	188901	192241	178866	122085	79070	153886	84676	141061	171830	68095	96105	72311	27980	86642	29471	34532	225713	92177	158304	201109	164916	187177	149812	130587
phenylethylamine	Phenylethylamine	4197	4864	4403	4384	3326	4038	172	4813	3910	4231	3823	2205	269	10632	4867	5958	13920	149	1666	5753	6717	9212	18146	17065	16982	1204	12671	15118	2066	659	7558	60753	5721	1179	6877	3590	7307	3035	2115	7293	4366	5911	3191	9666	726	1083	9099	2605	7687	2774	36081	3513	13070	272
phosphate	Phosphoric acid	1686	1796	1517	1495	2496	1426	125345	1649	1634	1839	1550	2697	42602	7045	35598	6632	15469	6325	4388	10760	14194	13927	20278	4874	3247	14204	5370	7404	8394	10254	22602	2632	3956	8720	5007	2921	15000	6098	7165	26500	10537	20396	8046	12648	3857	7777	2385	37848	8025	4335	15198	7086	3626	12899
phosphoethanolamine	Phosphoethanolamine	207	265	269	302	173	232	533	383	189	290	307	701	1362	766	758	433	246	1358	476	97	87	117	213	311	75	117	136	456	83	131	508	185	701	420	486	361	216	169	805	292	84	90	357	141	207	129	81	145	181	100	126	299	158	367
p-hydroxylphenyllactic acid	4-Hydroxyphenyllactic acid	6504	7376	7702	6682	3015	7384	577	7845	7806	6712	6734	2139	1076	2833	2363	5651	8670	3315	2716	3231	3135	1372	5234	3491	10850	31473	3883	3039	33947	25261	19906	730	780	1268	694	3808	332	476	483	16911	4726	2315	7470	2862	6196	6945	42710	23731	10556	6502	10557	16537	5234	469
phytosphingosine	Phytosphingosine	2985	7452	2793	7245	8080	8159	476	4414	7416	7722	2885	1103	3150	1957	1951	1109	1472	2076	1070	3348	2823	2145	1376	390	4502	748	2331	820	4111	4448	1237	2298	2424	796	27621	1530	685	18509	9855	1645	1184	2973	4920	2656	1077	1257	1491	699	848	13451	1582	1456	972	1819
pinitol	Pinitol	12702	12908	13020	11819	11907	12686	135	12774	12244	13801	10769	684	177	2453	2479	3432	12801	16783	270	6400	26298	11890	4945	77	2514	24026	1775	405	33787	40322	2094	239	2124	2222	134	784	141	82	64	395	234	14603	1984	113047	1630	1041	395	19844	21777	1007	8679	991	155	99
pipecolinic acid	Pipecolic acid	3159	2130	2693	2343	1629	1120	683	677	912	582	3531	2351	1212	1220	3846	1370	2020	1591	2819	977	512	595	1822	3834	2048	511	734	2252	831	763	783	5198	1357	1166	6231	3889	6725	12059	2559	687	515	859	1820	576	3181	2724	1373	728	1010	2481	760	1461	5700	1069
piperidone	2-Piperidinone	34524	25675	32965	36039	16862	21275	135	21834	17544	19301	36932	72369	25021	25601	20239	40306	35296	5431	78729	265	485	430	2287	80256	52110	467	28062	178299	1469	1195	27567	58278	30916	635	48399	111885	4282	8608	4747	2839	452	277	1555	862	5492	3775	26184	832	6507	111627	70161	47810	92127	39998
proline	Proline	203349	169264	192712	190452	118027	126929	70996	114081	125210	126915	225706	110354	58442	98972	158632	88898	90732	167396	253061	35199	27273	62711	18656	185469	36265	224277	44685	198692	204988	135644	152585	126171	130967	21874	60393	152797	112108	222734	120265	29008	31489	57299	14884	54521	29371	26999	300829	266571	211352	251679	80185	310002	267728	48288
propane-1_3-diol NIST	Propane-1,3-diol	2986	3743	2703	2741	4478	4247	1329	4492	4559	5221	2593	238	210	2180	218	1505	7900	194	310	4881	2020	4370	4203	505	1388	9274	936	495	16144	9940	2004	190	429	161	653	516	373	265	334	2725	5231	6740	2642	3463	1375	3278	5228	6186	11753	560	1862	887	516	367
pseudo uridine	Pseudouridine	11796	5649	11608	9230	11702	11123	8444	11739	12345	9353	10529	7529	63244	18402	48696	14609	23103	59271	10564	2395	5315	2993	6613	10021	8963	3076	9904	12478	5889	3686	25611	10119	15595	78634	32172	11431	23414	13977	13248	11002	4799	5450	9869	5764	3972	11641	8769	27640	28400	20752	21419	13699	12632	17356
putrescine	Putrescine	172440	197839	173270	186072	172877	180899	7231	183037	173459	172612	170364	638825	188643	576913	555069	807494	608809	397582	1084643	66399	194011	136331	416065	725961	193154	352437	79762	16170	51659	191656	257978	1451047	748907	190334	2741972	402088	7787	294222	399082	11840	226939	47256	78756	672670	82950	354999	107403	327280	306102	265204	114130	49993	742246	177938
pyruvic acid	Pyruvic acid	5262	5797	5189	1305	7742	7837	28613	8057	8360	8570	5509	1654	5855	11482	9977	23815	11164	10857	2350	22007	18814	8720	28235	3808	11434	3888	10505	2106	15629	17083	4967	2808	8957	11084	3223	2086	2651	1904	2765	32689	30014	19785	3028	23441	4773	2628	1310	8129	7093	1048	6532	3172	6751	2289
raffinose	Raffinose	19237	15599	16048	15389	16725	16137	357	15767	12333	16720	15836	76	247	146	190	283	1034	162	511	117178	60398	90170	5095	16	172	78	73	72	1120	187	85	347	56	257	132	365	57	22	63	1770	55748	153765	887	143	361	238	322	908	119	44	123	516	360	886
ribitol	Ribitol	8447	3892	8655	9532	3759	8753	925	9895	9417	10905	8317	19308	2261	12163	8796	7206	641	24162	9115	5872	4518	2851	8749	4662	4816	8821	4617	3471	10456	6210	12646	2671	6698	24608	2871	7391	4792	1112	5803	34605	3310	4042	15270	5079	13464	5613	1331	12005	19282	2857	2039	5850	8488	1005
ribonic acid	Ribonic acid	1477	1030	1490	1984	1709	1847	348	1860	1731	2428	1725	686	1775	889	2324	2767	1316	7541	3349	2639	1539	461	2801	320	348	2351	628	406	2884	624	2568	380	780	4430	168	1120	585	147	233	4469	1697	2512	2864	1469	4408	2664	708	2011	923	377	541	3725	702	312
ribose	Ribose	54755	57957	59127	54513	59846	57506	14164	59273	55701	53657	54637	87032	73546	78455	84135	118895	35761	57062	39706	28362	28527	23060	32999	36646	88810	79792	58329	11758	38259	46045	24446	11333	92932	71046	105242	83448	29754	46624	49286	12289	43025	23957	54638	14482	37043	19853	48661	18800	16764	50314	33623	56526	71574	2498
sarcosine	Sarcosine	11829	13672	14232	10928	14543	12123	132435	15399	20941	17138	15072	8140	2440	10480	6249	17691	23981	7505	11673	2518	18229	3315	17884	1297	15367	6021	11767	3955	24944	33366	4306	6189	26867	7006	25452	15702	3605	1913	15021	4869	21373	29416	22602	10918	15545	17975	14565	12962	9117	11091	2999	8453	9634	4162
serine	Serine	101286	107907	97913	69738	112135	106163	134814	126450	118215	111798	88863	78717	121914	170708	142182	64302	114225	120210	44398	29397	46028	41864	41697	81019	50337	73996	94311	122916	86945	79367	101993	83504	147703	76068	44686	79001	79389	104728	149991	39982	20724	50024	18952	36074	37720	25890	80563	79676	131009	89828	96231	118068	62874	115426
shikimic acid	Shikimic acid	3065	2943	3202	3022	2660	2686	1508	359	2965	3391	2695	4437	1580	5993	2180	4903	3485	3358	3844	1781	2171	1553	1969	1077	3329	2535	2263	1256	3224	2521	1995	2115	2694	4875	2790	3328	2130	1319	1421	6468	456	1671	2982	1718	1628	1989	5758	3335	2783	1456	960	2552	1341	777
sinapinic acid	Sinapic acid	4410	421	3586	3503	4472	3887	229	4033	4139	5173	3508	3702	808	6757	3746	17790	14731	2937	8479	659	16749	1406	18874	561	3407	5851	5435	1020	3062	4641	3204	655	623	2201	1577	8342	547	653	548	58921	838	1877	26150	9403	12297	10989	2171	8550	4335	1687	2362	4716	6711	213
sophorose	Sophorose	8099	7284	6927	7048	7210	7571	285	7676	6294	8184	7111	477	62	966	581	669	5837	3249	2777	23317	23332	24767	367	300	712	59	434	216	4905	182	759	141	702	1532	566	4464	160	179	116	691	14699	46389	648	9278	285	195	188	233	419	247	233	792	896	23
sorbitol	Sorbitol	17893	20806	20220	19146	12025	15418	7388	18219	12733	20047	15616	6596	4167	7625	5607	7687	11458	13188	9805	9156	46526	22574	12258	2035	6786	106428	3875	4636	115689	64081	6802	1971	7996	13527	2794	13972	1779	1089	1103	15905	36299	9481	10609	28405	10204	19015	6236	8669	41490	4875	4153	6936	2900	1333
squalene	Squalene	5122	4292	4546	4297	4713	3965	244	4831	3699	5296	5047	9490	12046	3006	2877	2471	3571	1872	12906	1806	2758	2858	6805	11839	7047	1087	9942	4818	1216	2156	6018	7269	2829	2022	4207	18225	11943	5529	11506	32188	2218	1248	9483	1977	6447	3397	15542	2684	956	1696	2806	12195	7553	3654
stearic acid	Stearic acid	667074	663167	615233	574879	630380	612305	649774	669663	687350	748603	604891	349371	1004340	465113	699109	565100	754852	558266	729298	898160	821848	1583815	736336	536390	674622	746932	832965	378163	724654	844725	660161	795411	575182	677216	850263	765451	2010740	1525617	1156918	1077341	675558	719574	791253	1594737	865841	1221227	999257	1602661	507515	869429	1338272	680503	641623	1693415
succinic acid	Succinic acid	147447	148149	147534	129898	138262	134919	2006	163833	162568	167880	149345	33299	1935	31272	9874	64135	390402	69916	121286	795120	91206	21751	299535	2704	1166	674751	126553	175775	311600	667930	260833	2547	31540	16231	1653	271563	747	998	1020	60085	1147221	52631	30337	40189	29653	8920	287774	499866	525239	310901	95552	619092	8535	2113
sucrose	Sucrose	2824	3150	2684	2477	2586	2798	144	2895	2592	2824	2616	88	214	262	362	732	700	314	156	14664	15323	8958	789	151	194	48	387	14	70195	1139	548	20	334	2207	210	651	38	143	124	1110	4156	22932	1905	1371	433	523	14	1289	159	54	642	500	244	41
tagatose	D-Tagatose	616	642	704	687	735	865	166	769	702	1058	627	413	77	367	762	763	831	1702	111	1443	504	851	477	257	101	1717	92	167	365	1107	236	454	1333	1220	142	402	90	143	81	602	331	614	376	479	568	216	256	836	235	113	151	394	226	57
taurine	Taurine	2290	3104	2149	7530	1461	2166	260	3799	2967	4668	2852	7307	83791	1656	32048	8521	9708	46525	13171	566	1238	658	22643	7917	3032	297	1078	22653	722	740	21638	1254	499	31857	496	5066	15079	435	655	788	326	3185	3532	1402	61855	81065	394	5259	3681	4105	4651	3550	364	1222
threitol	Threitol	2183	2360	2456	2102	2409	2286	583	2580	2469	2534	2277	2054	2240	2390	3756	4944	5408	5709	3294	1198	844	567	2245	758	2342	3586	1092	786	7078	3273	6007	746	2040	4913	89	1716	6189	88	632	4515	1852	1362	3119	740	4952	2478	876	7861	5533	958	115	2112	1595	6531
threonic acid	Threonic acid	473	764	764	561	679	729	5400	879	741	999	754	437	1757	562	1483	729	903	2926	165	660	661	220	658	127	189	888	146	171	1006	760	648	299	407	3190	263	279	329	39	174	507	474	479	275	727	269	171	294	757	1656	80	454	420	94	238
threonine	Threonine	75401	71845	77753	65609	75287	78292	50858	90946	86581	81099	72463	67526	66331	122781	75490	75291	72412	96259	60866	62665	54812	70312	23264	65450	78997	197788	108021	66230	197021	213970	110177	55723	114094	62238	23471	73445	21273	78249	70263	26322	53058	63492	16553	66635	23917	17170	203617	161800	250536	94690	77728	124836	85693	39842
thymidine	Thymidine	1701	1083	1532	858	397	429	163	512	745	854	1672	3711	5245	5635	9303	7861	2998	5461	8444	546	244	199	1256	3527	1294	158	2236	5448	454	110	2773	723	1989	8307	454	6828	1896	424	854	2111	566	398	1849	262	6315	9591	1435	3663	504	3992	2914	242	3766	3252
thymine	Thymine	12373	12297	12802	10105	10507	10641	407	13396	11751	12502	12217	31150	7157	18958	14003	18266	5203	2690	14915	3700	5555	2207	6410	15976	4193	6995	9842	8256	8643	5425	9065	7208	18593	9491	26664	21253	18265	14754	13634	8420	6339	3647	18573	2309	18803	18346	8660	10437	10010	19961	21437	8020	23000	7728
tocopherol acetate	Tocopherol acetate	45120	38239	39001	40363	39796	39661	185	39951	37447	41228	39645	39071	54964	2622	59876	41779	34994	24100	40021	36869	27068	16482	45961	86462	71298	53168	74703	62986	29186	41651	33479	11034	12604	22069	26225	75164	75825	41937	80080	14252	35578	30645	97885	6493	56690	28665	7002	58630	32270	16744	11976	159405	52522	70847
tocopherol alpha-	alpha-Tocopherol	217284	194615	175827	191077	201259	191523	6018	196053	194677	213258	178023	218828	346678	68	331050	337035	250327	210987	328343	116849	151172	120586	258852	319070	244735	173628	237161	123251	205724	273768	296355	378248	214304	265790	108344	305943	437774	111636	306726	689879	199964	141722	568871	23167	354149	99584	630377	294560	193343	63838	50130	332020	386026	310443
tocopherol beta-	beta-tocopherol	421	409	443	307	348	436	94	422	385	449	354	315	775	62	370	372	402	275	492	200	185	142	497	669	503	267	533	357	325	369	150	613	273	350	933	1062	596	526	949	1433	183	274	1038	114	725	418	826	276	187	615	423	481	690	266
tocopherol delta-	delta-Tocopherol	3990	4264	2371	4932	4489	4632	69	4704	3609	4574	4570	5375	7231	2919	2677	3736	2937	1405	6989	1783	2830	1505	4994	6915	5960	1932	5536	2861	2036	3066	5166	7065	2347	3023	10757	8522	5996	4680	5705	23281	1016	1122	10923	2284	7727	7644	11394	2923	1766	10160	9228	9128	6623	3831
tocopherol gamma-	gamma-Tocopherol	13755	11893	11932	12633	12227	12219	201	13052	12004	12995	11110	20074	26204	338	8079	8277	7065	5220	26275	4708	4259	3674	21532	26383	22595	3728	22164	12360	3958	5098	21805	17505	5189	5464	25387	29784	20989	17431	24238	47885	4769	3475	44844	5787	27549	17098	29450	4777	3023	27054	21967	36973	26859	8045
trans-4-hydroxyproline	trans-4-Hydroxyproline	16904	16223	17407	16226	15204	14894	24344	14381	15330	11790	15460	14427	4823	8402	12276	9649	7907	15947	25907	9199	6464	6179	21688	4412	6927	11592	6729	4486	14032	9861	15261	10263	14917	4438	10273	8814	2420	7935	1830	12835	7643	11276	39329	14121	29434	10119	21386	11517	10261	11544	12938	38188	20664	3750
tryptophan	Tryptophan	128743	142442	127156	147034	152793	149350	99381	138663	149010	143303	113939	369851	122945	212494	65406	213923	13162	360878	469614	123898	168108	158564	14088	74229	250748	8923	349720	136460	127000	185267	35537	309136	54189	201196	26581	131378	34635	99084	114687	35356	109741	159124	11260	152378	14363	12388	216876	4930	124468	78093	70547	275434	238630	56966
tyramine	Tyramine	271193	155569	289362	254246	213905	257040	53694	213585	257449	264641	265952	453334	174793	579064	335397	627609	472761	17483	715116	632465	549344	641361	1297191	710098	274022	58706	788670	334577	120943	55215	656465	1013652	580659	88633	481051	226545	431158	406070	175343	1566120	508080	540316	824016	627680	485585	304749	53630	264860	471798	130296	861611	50641	552021	272899
tyrosine	Tyrosine	244026	212978	247499	280214	274641	293905	101524	308235	302157	322936	208067	264971	442389	232117	304415	139069	154927	529072	127581	33178	51828	16446	57851	304044	557681	351601	193458	503804	476611	417788	310473	159420	212528	345162	127915	288457	158597	284364	386329	179249	46449	30466	90939	32645	86454	77931	350928	254611	305077	400562	128258	402890	160180	267188
tyrosol	Tyrosol	1347	1287	1288	1200	1255	1273	75	653	1263	938	1160	901	2118	967	2740	1379	921	575	1187	85	325	196	999	7633	2011	169	2096	6316	205	184	1348	2270	1762	1279	2699	932	3629	1874	1318	5071	149	593	2331	133	2826	3887	865	474	631	12573	2355	2610	2227	28303
UDP-glucuronic acid	UDP-glucuronic acid	4199	2620	1398	2990	1434	2454	135	1526	1343	3396	1285	3859	2142	3097	956	7892	6490	2686	3891	6413	5127	6522	1201	2482	3465	2887	2348	1305	1770	3629	1684	613	1542	1120	813	2965	441	165	2485	926	6317	8749	5241	2943	3617	575	1017	5393	2187	433	566	3354	3371	68
uracil	Uracil	44103	46378	45121	40078	43598	41442	501	50847	46291	48292	42260	138994	65325	77831	50322	31623	12248	24862	37186	6220	8907	2059	11246	42514	26029	19215	45075	27318	25287	18333	72401	23675	63515	27434	67704	62732	49155	36544	52731	9940	14293	1705	53005	8616	59768	54705	31105	25415	41322	45241	49924	32961	56598	17075
urea	Urea	353676	392463	310046	318745	448216	38559	1021936	59893	99415	465808	361048	7603	431115	397062	569777	688168	1144344	464804	8826	406501	461250	394011	754272	10732	3422	7114	13480	243308	103097	4953	383076	108569	10707	493794	4695	134185	663336	4676	22561	651118	451930	777638	439517	376288	156749	293813	4792	545254	898314	4851	356070	123386	3626	445038
uric acid	Uric acid	1057	1064	1008	1032	915	1009	4695	1145	1052	1173	913	1840	10572	2159	2763	679	359	1888	226	289	114	934	818	1085	169	319	240	764	482	509	1367	1386	1452	8276	3066	4372	1541	1057	2561	346	99	1306	167	137	132	225	632	155	4061	1894	1519	844	1268	284
uridine	Uridine	2421	2698	2081	2203	2099	2524	448	2562	2667	2870	2715	12525	4838	6625	1117	6559	2113	1510	6994	2128	2124	2194	2551	5404	3000	1897	675	8308	1940	2911	1718	1565	1526	1022	3106	17707	2291	1442	2164	8848	3402	6462	3404	3847	14077	11877	1575	2337	1933	2013	754	3566	7620	2439
urocanic acid	Urocanic acid	1916	2265	2132	1654	1277	2219	179	2422	2129	2546	2192	479	821	3818	1354	580	697	2819	909	118	303	70	166	2430	2057	218	4251	2426	860	849	3542	391	2151	1804	838	2194	465	2503	2887	1673	80	221	245	111	109	201	3145	225	749	182	1691	2749	3123	2059
valine	Valine	379326	377563	390402	383995	305952	307998	382474	337206	303947	339671	426388	361590	568352	523193	511568	280864	209002	561097	234359	165143	185520	234967	133982	692787	310478	364171	269541	801602	334041	291084	449153	518451	427556	331087	128929	440981	398668	580943	431427	138563	107648	182760	51862	220954	103526	71800	515744	293863	609491	546229	526229	434329	441091	549451
vanillic acid	Vanillic acid	1533	1831	1169	1663	1724	1612	176	1392	1642	1885	1520	4688	1258	1794	1918	3256	1659	2340	3326	460	1019	300	1891	376	3285	1712	2462	353	716	1483	2742	898	1622	2198	484	1847	452	245	349	2610	793	321	2622	552	2309	848	938	2906	273	247	785	2153	970	152
xanthine	Xanthine	13341	14966	14848	12744	13497	14950	241	17615	15137	16879	16026	62405	27686	22077	4796	10051	2478	7619	22444	237	1211	329	4704	12315	8273	562	9625	10427	1072	957	17075	5741	16117	7219	28034	19367	14636	13170	13386	3035	1765	331	2851	3892	3643	5079	6550	3054	6946	13218	5442	8284	24151	2319
xylitol	Xylitol	2776	3005	2669	1779	1611	3614	4949	3653	4453	434	4267	7244	2440	2912	5883	1463	5221	7854	1602	9068	2923	2212	2700	2062	10459	7484	5968	1446	17548	14376	4986	1778	2792	9225	1825	2824	1437	1154	1749	3651	4877	7067	1601	5803	2275	1488	6655	5732	2486	1873	4158	12302	3702	733
xylonic acid isomer		1038	917	976	905	579	450	160	780	834	771	648	1359	621	453	940	1324	1639	1175	251	829	839	948	952	1480	389	577	348	149	1305	742	1275	3126	1512	1178	5446	670	202	617	828	1252	517	779	2010	723	1886	1119	330	953	1547	595	242	937	1586	105
xylose	Xylose	464895	498422	481031	447498	486916	459656	5538	521059	497778	533727	478665	692318	44891	426134	150091	952552	186696	232430	241265	184226	54933	36560	58197	96877	451185	656758	313592	36571	100386	138037	19377	35004	391022	147592	79819	449322	60334	32879	230226	52135	58984	77542	665427	23803	196646	38781	173388	194684	47196	120936	26021	171094	288578	25460
xylulose NIST	Xylulose	3223	4838	4526	4174	5112	2686	1034	4917	4214	3901	4828	5278	1508	5447	2730	15751	2580	3415	2363	9407	8104	7234	2989	1495	5553	6814	3551	379	3296	2604	539	465	5969	3786	3185	4846	621	285	1945	676	5380	6827	3493	4132	1206	647	2608	1728	802	1551	733	1807	2782	126