Data for (Study ST004459)

(Analysis AN007465)

Values for each metabolite have been scaled by dividing by the mean across all factors

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Metabolite	F1	F2	F3	F4	F5	F6	F7	F8
10,13-Dimethyl-11-docosyne-10,13-diol	1.6990	1.8511	1.9002	NA	0.2000	0.2288	0.1210	NA
10-alpha-methoxy-9,10-dihydrolysergol	0.1700	0.4686	0.3499	NA	1.8999	1.1578	1.9538	NA
10^-Apo-beta-carotenal	1.9187	1.9082	2.0985	NA	0.0290	0.0328	0.0128	NA
10^-Apoviolaxanthal	1.8245	1.7921	2.3481	NA	0.0046	0.0202	0.0105	NA
10-Deacetoxybarbilycopodin	2.0809	1.5259	0.7587	NA	0.5586	0.6809	0.3949	NA
10-Gingerol	0.0637	0.0626	0.1018	NA	2.0936	2.3770	1.3014	NA
10-hydroxy-2E-decenoic acid	1.1159	1.0675	0.8612	NA	0.9853	0.7306	1.2394	NA
(-)-10-Methoxyvincamedine N-oxide	0.7472	1.2351	0.8898	NA	1.0337	0.9717	1.1224	NA
1,1^-(1,4-Dihydro-4-nonyl-3,5-pyridinediyl)bis[1-decanone]	1.1990	1.1772	1.2311	NA	0.7799	0.9594	0.6534	NA
11,15-Epoxy-3(20)-phytene-1,2-diol	1.0414	0.9621	0.9265	NA	1.2187	0.9430	0.9085	NA
1,11-Tridecadiene	0.6994	0.6677	1.0291	NA	1.3942	1.0052	1.2044	NA
1,1,5-trimethyl-1,2-dihydronaphthalene	0.8404	0.7129	0.8408	NA	0.8611	1.8117	0.9332	NA
1-18:3-lysoPC	1.8052	1.9461	1.8493	NA	0.1261	0.1153	0.1579	NA
11beta,21-Dihydroxy-5beta-pregnane-3,20-dione	1.0161	1.1655	1.5523	NA	0.5959	0.6704	0.9997	NA
11beta-Hydroxyandrosterone	1.8431	1.6647	1.6685	NA	0.2634	0.2735	0.2867	NA
11beta-Hydroxyprogesterone	1.8788	1.6685	2.1426	NA	0.1065	0.0842	0.1195	NA
11-Keto-beta-boswellic acid	0.1367	0.1450	0.1006	NA	1.8543	1.7880	1.9754	NA
11-Methoxyopposit-4(15)-en-1beta-ol	1.9050	1.5379	2.2140	NA	0.0887	0.1358	0.1187	NA
11Z,14Z,17Z,20Z,23Z-hexacosapentaenoic acid	2.1098	1.6747	1.5986	NA	0.2610	0.2329	0.1231	NA
(11Z)-8,18-methano-retinal	0.0787	0.0555	0.0622	NA	1.9761	1.9847	1.8428	NA
12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid	1.0768	0.5555	0.5650	NA	1.4109	0.9379	1.4538	NA
1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid	0.3425	0.3146	0.2130	NA	1.6407	2.0132	1.4760	NA
1,2,3,4-Tetrahydro-b-carboline-1,3-dicarboxylic acid	0.7579	0.9156	0.8164	NA	1.0985	1.2274	1.1842	NA
1,2,3-Triazine, 4-phenyl-	0.8763	1.3168	2.3223	NA	0.6052	0.5430	0.3364	NA
(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene	1.0054	1.3679	1.0812	NA	0.8925	0.6454	1.0076	NA
1,2,4-Trimethoxynaphthalene	1.0559	0.9366	1.0278	NA	0.7173	1.2067	1.0558	NA
1,2,8-Trihydroxy-3-methylanthraquinone	2.0633	1.3911	1.1695	NA	0.4489	0.4827	0.4445	NA
12-Acetoxyeremophilene	1.4300	1.2782	1.1094	NA	0.7661	0.6407	0.7756	NA
1,2-Cyclohexanedione	0.7355	0.7422	0.6412	NA	1.3689	1.1724	1.3398	NA
12-Deoxywithastramonolide	1.2217	0.8922	1.1004	NA	0.9150	0.6002	1.2705	NA
1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol	0.9750	1.1860	1.8571	NA	0.8071	0.6184	0.5564	NA
1,2-Di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphate	0.9604	1.5120	0.6448	NA	1.1274	1.1096	0.6457	NA
1,2-Dihydrostilbene	0.9972	1.0225	1.2407	NA	0.8806	0.8982	0.9608	NA
1,2-Dihydroxy-8-methylnaphthalene	1.4902	1.1682	0.9982	NA	0.6195	0.7850	0.9389	NA
1,2-dihydroxyheptadec-16-en-4-yl acetate	0.7532	0.7497	0.5837	NA	1.1701	1.0858	1.6576	NA
1,2-dihydroxyheptadec-16-yn-4-yl acetate	0.2313	0.2529	0.1553	NA	1.5280	1.7732	2.0594	NA
12-hydroxystearic acid	0.9700	0.9436	0.8988	NA	1.0767	1.0603	1.0507	NA
1,2-Naphthoquinone	1.2528	1.2153	1.0862	NA	0.7783	0.7939	0.8735	NA
12-OPDA	0.4730	0.6727	0.4467	NA	1.3935	1.3772	1.6369	NA
1-(2-Thienyl)-1-butanone	1.4953	1.9655	1.4097	NA	0.4795	0.3398	0.3102	NA
1,3,5-Trihydroxyxanthone	1.0667	0.6669	0.8688	NA	1.1004	1.1850	1.1121	NA
1-(3-Aminopropyl)-2-pyrrolidone	1.2347	0.8580	0.7907	NA	1.1179	1.2159	0.7827	NA
13-Apo-beta-carotenone	0.7952	1.0780	1.2513	NA	0.9253	0.7403	1.2100	NA
1,3-DIDEACETYL-7-DEACETOXY-7-OXOKHIVORIN	0.6929	1.0024	0.6637	NA	1.1852	1.0282	1.4276	NA
1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate	0.8739	0.9387	0.5725	NA	0.8086	1.3257	1.4805	NA
1,3-Dimethyluracil	1.6181	1.5406	2.5153	NA	0.0696	0.1438	0.1125	NA
1,3-DIMETHYLURIC ACID	1.3357	1.0543	1.2023	NA	0.7900	0.7850	0.8328	NA
(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol	0.2371	0.2338	0.1903	NA	1.7067	1.7578	1.8743	NA
13-Heptadecyn-1-ol	1.3361	0.9901	0.8999	NA	0.8817	0.7916	1.1006	NA
13-Hydroxy-9-methoxy-10-oxo-11-octadecenoic acid	0.0998	0.2122	0.3501	NA	1.6094	1.2243	2.5041	NA
(13S,14S)-epoxymaresin	1.8298	1.6733	2.4710	NA	0.0031	0.0156	0.0073	NA
13Z,16Z,19Z,22Z,25Z-octacosapentaenoic acid	0.4865	0.5390	0.4754	NA	1.1157	1.3906	1.9928	NA
14^-apo-beta-Carotenal	1.5843	1.8742	2.0376	NA	0.1193	0.2455	0.1392	NA
14-Deoxyandrographolide	0.1419	0.3605	3.5872	NA	0.6787	0.7852	0.4465	NA
1,4-Dihydroxy-2-naphthoate	0.7152	0.7546	0.4308	NA	1.2824	1.4444	1.3727	NA
1,4-Dimethylphenanthrene	1.5799	2.0245	2.0974	NA	0.1115	0.1240	0.0627	NA
1,4-Diphenethylpiperazine	0.6219	0.6411	0.5727	NA	1.5331	0.9874	1.6439	NA
1,4-Dithiane-2,5-diol	1.2304	1.2278	1.2467	NA	0.7602	0.7413	0.7936	NA
14-Hydroxy sprengerinin C	0.3237	0.3527	0.3620	NA	1.3138	1.9162	1.7316	NA
1,4-Undecadiene	1.0374	1.1296	1.5454	NA	0.7421	0.7305	0.8150	NA
15-HTPE	1.8161	1.4843	2.2946	NA	0.1753	0.1311	0.0987	NA
1,6,8-trihydroxy-1H,3H-cyclohepta[c]furan-5-one	1.2231	1.3326	1.3680	NA	0.6941	0.6681	0.7140	NA
1,6-Dimethoxypyrene	0.6042	0.5743	0.6438	NA	2.3719	1.3562	0.4497	NA
16-Heptadecyne-1,2,4-triol	1.4239	1.7402	2.0396	NA	0.2583	0.2543	0.2837	NA
16-Hydroxyhexadecensaure	0.4810	0.3897	0.3545	NA	1.5461	1.7837	1.4450	NA
17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate	1.5363	1.1333	1.5329	NA	0.6122	0.5633	0.6220	NA
17beta-Amino-5alpha-androstan-11beta-ol	0.8285	0.9350	0.8576	NA	1.1493	1.1505	1.0791	NA
17-Methyl-3-(2,4-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol	2.0062	1.8711	1.9354	NA	0.0685	0.0710	0.0477	NA
1,8-Diazacyclotetradecane-2,9-dione	1.1957	0.7596	0.6077	NA	1.2377	1.4252	0.7741	NA
1,8-Dimethylnaphthalene	1.2009	1.1005	1.2346	NA	0.9232	0.6658	0.8750	NA
18-Isovaleryloxygrindelic acid	0.8972	0.9721	0.6506	NA	1.1931	1.4555	0.8316	NA
19-Demethylreblastatin	1.6123	1.4034	1.8495	NA	0.6084	0.3465	0.1800	NA
1,9-Dideoxyforskolin	0.7131	0.5559	0.8853	NA	1.2476	1.2281	1.3701	NA
19(E)-18-demethoxygardfloramine	0.7436	1.4104	2.1088	NA	0.7261	0.4951	0.5160	NA
19-norcholesta-1,3,5(10)-trien-3-ol	1.7763	1.5580	1.4568	NA	0.4224	0.4727	0.3139	NA
(19R,23E)-5beta,19-Epoxy-19,25-dimethoxycucurbita-6,23-dien-3beta-ol	1.4823	1.4801	1.5839	NA	0.4250	0.5586	0.4701	NA
(19R,23E)-5beta,19-Epoxy-19-methoxycucurbita-6,23,25-trien-3beta-ol	2.1704	1.4683	1.9300	NA	0.1642	0.1201	0.1470	NA
1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate	0.7741	1.0665	0.8120	NA	1.0977	0.9602	1.2895	NA
1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one	0.9898	1.0228	1.2573	NA	0.8887	1.0156	0.8258	NA
1-Acetyl-2-methylcyclopentene	0.6523	1.0783	0.4971	NA	1.2238	1.2046	1.3439	NA
1-Acetyl-8-hydroxy-beta-carboline	0.3944	0.5547	0.4698	NA	1.3532	1.5614	1.6666	NA
1-Anilino-9,10-dioxo-2-anthroic acid	1.5135	1.3421	1.4500	NA	0.5917	0.5141	0.5886	NA
1beta-methylcarbapenem	2.0921	1.0348	1.5846	NA	0.4595	0.3976	0.4312	NA
1-Cyclohexenecarboxylic acid	1.2807	1.4710	1.2566	NA	0.6541	0.6699	0.6677	NA
1-Ethenyl-1-methyl-4-(1-methylethylidene)-cyclohexane	0.8902	1.0340	0.9387	NA	1.1179	1.0994	0.9198	NA
1-ethyl-3-[(2S)-2-methylbutyl]piperidine	0.8599	0.8399	0.9366	NA	1.3093	1.2098	0.8445	NA
1h,8h-Pyrano[3,4-c]pyran-1,8-dione	0.0781	0.0318	0.0791	NA	1.9718	1.8260	2.0131	NA
1-heptadecylglycerone 3-phosphate	2.1200	1.7679	1.8901	NA	0.1338	0.0415	0.0467	NA
1-Hexadecanethiol	1.0115	1.0237	0.9461	NA	1.0599	0.9306	1.0281	NA
1-Hexadecyl Lysophosphatidic Acid	1.7386	1.7435	2.2242	NA	0.1155	0.1126	0.0656	NA
1-Hydroxy-2-naphthoate	1.3856	1.3798	1.5673	NA	0.5350	0.4701	0.6622	NA
1-Hydroxyanthraquinone	0.3599	0.2490	0.2826	NA	1.9309	1.7905	1.3870	NA
1-Isothiocyanato-6-(methylsulfinyl)hexane	1.5389	2.0539	1.9061	NA	0.1030	0.1636	0.2345	NA
1-Methylestra-1,3,5(10)-triene-3,17beta-diol	1.4578	2.3554	1.4438	NA	0.2639	0.2118	0.2673	NA
1-Methylinosine	1.4432	1.2246	1.4238	NA	0.8273	0.4703	0.6109	NA
1-Monolinolein	0.5541	0.7038	0.3872	NA	1.0559	1.3159	1.9831	NA
1-Naphthalenemethanol	1.1886	1.6787	1.6789	NA	0.5158	0.3575	0.5806	NA
1-Nitroaknadinine	1.6037	1.5758	1.3007	NA	0.2919	0.7282	0.4996	NA
1-Nitrosonaphthalene	0.9382	1.6295	0.8228	NA	0.7952	0.9397	0.8747	NA
1-Nitrosopiperazine	0.7539	0.6565	0.4752	NA	1.2575	1.5091	1.3477	NA
1-O-Galloyl-beta-D-glucose	0.6526	0.8419	1.1171	NA	1.9208	0.8107	0.6569	NA
1-O-Oleyl LPA	1.3882	1.3119	1.0928	NA	0.5901	0.5749	1.0420	NA
(1R,10aS)-1,4,10,10a-tetrahydrophenazine-1-carboxylic acid	0.4779	0.6792	0.6288	NA	1.2441	1.4176	1.5523	NA
(1R)-2-Oxo-3,4-dehydroneomajucin	1.0908	1.2920	1.5264	NA	0.6221	0.7515	0.7172	NA
(1R,5aS,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylic acid	0.8408	0.7177	0.6582	NA	1.1754	1.3064	1.3016	NA
(1S)-7-Methoxy-1,2-dihydrocadalene	1.5014	0.8530	1.3679	NA	0.8324	0.7176	0.7277	NA
20-Dihydrodydrogesterone	0.4861	0.3579	0.4402	NA	1.6687	1.5298	1.5173	NA
20(R)-Ginsenoside Rg2	0.3798	0.4683	0.3574	NA	1.5612	1.7855	1.4478	NA
(20S)-Protopanaxadiol	0.1066	0.1619	0.0845	NA	1.5252	2.3066	1.8151	NA
2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane	1.2102	1.3538	1.4203	NA	0.5007	0.7084	0.8066	NA
21-Fluoro-16-ethyl-19-norprogesterone	1.0160	1.0836	0.3691	NA	1.2978	1.8043	0.4291	NA
21-Hydroxypregnenolone	0.0396	0.0305	0.0335	NA	2.1104	1.8675	1.9185	NA
(+/-)-2-(1-Methylpropyl)-4,6-dinitrophenol	0.7732	0.6770	0.4376	NA	1.5249	1.5473	1.0400	NA
21-O-Methyltoosendanpentol	0.1796	0.2167	0.1580	NA	2.0506	1.8515	1.5435	NA
2-(1-Propenyl)-delta1-piperideine	0.9978	0.9418	0.9427	NA	1.1091	1.0091	0.9995	NA
2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien	1.7007	2.0020	2.0850	NA	0.0735	0.0643	0.0745	NA
2,2^-Dithiobis(pyridine N-oxide)	0.7923	0.4444	0.8848	NA	1.2130	1.0588	1.6067	NA
(22E)-Cholesta-4,6,8(14),22-tetraen-3-one	1.9263	1.3674	1.6217	NA	0.3786	0.2980	0.4080	NA
2,3,5,4^-Tetrahydroxystilbene 2-O-beta-D-glucoside	2.0146	1.2371	1.9363	NA	0.2467	0.3996	0.1657	NA
2,3,9-Trimethoxypterocarpan	1.3500	0.9126	1.6047	NA	0.1396	0.1522	1.8409	NA
2,3-dihydro-3beta-methoxy withaferin A	0.5002	2.2659	2.4352	NA	0.3111	0.2165	0.2712	NA
(-)-2,3-Dihydrocitromycin	0.8149	1.0018	0.6736	NA	1.4371	1.0784	0.9943	NA
2,3-dilinolenoyl-sn-glycerol	0.8846	1.1735	0.8505	NA	1.1955	1.1006	0.7953	NA
23-Norcholic acid	0.1424	0.1312	0.0699	NA	2.1827	1.4216	2.0522	NA
24(28)-Dehydroergosterol	0.1482	0.3407	0.1398	NA	0.8142	3.2859	1.2712	NA
2,4,6-Trihydroxybenzoic acid	1.1677	1.1126	1.1985	NA	0.8783	0.7704	0.8724	NA
2,4-Bis(1-phenylethyl)phenol	1.2455	0.7667	0.5196	NA	1.2533	1.4282	0.7866	NA
2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile	1.8081	2.3219	1.7397	NA	0.0505	0.0418	0.0380	NA
2,4-Dihydroxy-6,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one	1.5263	1.6741	1.4232	NA	0.3706	0.5898	0.4160	NA
2,4-Dinitrophenylhydrazine	1.2316	1.2236	1.2591	NA	0.7601	0.7229	0.8027	NA
24-Methylenepollinastanone	0.9718	0.9266	1.0263	NA	0.9115	1.0522	1.1115	NA
2,5-Bis(acetylamino)pentanoic acid	1.3017	1.1252	0.9492	NA	0.8783	1.1223	0.6233	NA
2,5-Dihydroxybenzaldehyde	1.4618	1.6722	1.7497	NA	0.3610	0.3839	0.3713	NA
2-[(5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoxy]propane-1,3-diol	0.1936	0.3115	0.3673	NA	2.0740	1.8322	1.2214	NA
2,6,10,14-Tetramethyl-6,10,15-hexadecatriene-2,3,8,14-tetrol 8-acetate	1.1844	0.9412	1.0918	NA	0.8365	1.0075	0.9386	NA
2,6-Diaminoheptanedioic acid	1.2542	0.7920	0.7260	NA	0.9160	1.3282	0.9836	NA
2,6-Dimethoxy-1,4-benzoquinone	1.1083	1.1590	0.8673	NA	0.9188	0.9449	1.0017	NA
2,6-dimethoxybenzoylsalicylhydrazide	1.6727	2.3829	1.8852	NA	0.0235	0.0315	0.0042	NA
2,6-Dimethylbenzenethiol	1.3543	1.4609	1.5757	NA	0.6330	0.4951	0.4811	NA
27-Norcholestanehexol	1.1191	1.9568	1.8553	NA	0.3467	0.3413	0.3808	NA
2,8-Dihydroxyadenine	1.3695	2.6768	0.9538	NA	0.3938	0.4125	0.1936	NA
28-Homobrassinolide	0.5107	0.6096	0.3603	NA	1.5299	1.4108	1.5787	NA
2^-Acetylacteoside	1.3216	1.1966	0.6842	NA	0.9324	0.8678	0.9975	NA
2-Acetylisonicotinohydrazide	0.6521	0.3213	0.5337	NA	1.5405	1.3264	1.6260	NA
2-amino-1,3,4,5-icosanetetrol	0.9715	0.9675	0.9061	NA	1.0500	1.0883	1.0165	NA
2-Amino-1-phenylethanol	1.1517	1.3014	0.9944	NA	0.8842	1.0027	0.6655	NA
2^-Amino-2^-deoxyadenosine	0.4485	0.3466	0.3964	NA	1.9100	1.1834	1.7151	NA
2-Amino-5-chlorobenzoxazole	1.2135	1.2216	1.2991	NA	0.7918	0.6834	0.7907	NA
2-Aminoheptanedioic acid	1.4155	1.3665	1.8074	NA	0.4509	0.3973	0.5624	NA
2-Aminopropane-1,3-dithiol	1.3797	1.2827	1.2143	NA	0.7205	0.6892	0.7137	NA
2-Carboxybenzaldehyde	1.0386	1.0510	1.0478	NA	0.9716	0.8956	0.9955	NA
2^-deoxy-5-(4,5-dihydroxypentyl)uridine	0.3512	0.1902	0.3322	NA	2.3175	2.0307	0.7782	NA
2^-Deoxycytidine	0.2409	0.4334	0.2294	NA	1.3570	1.4018	2.3375	NA
2^-Deoxyinosine-5^-monophosphate	1.7018	1.9940	1.6215	NA	0.2296	0.2327	0.2203	NA
2^-Deoxymugineic acid	1.5664	1.7028	1.7246	NA	0.2799	0.4266	0.2997	NA
2-Desoxy-4-epi-pulchellin	0.6921	0.6895	1.7925	NA	0.9976	0.7379	1.0903	NA
(2E)-20-hydroxyicos-2-enoic acid	1.7572	1.8913	2.0654	NA	0.0780	0.0838	0.1243	NA
(2E)-2-[hydroxy(phenyl)methylidene]-6-methoxy-1-benzofuran-3-one	1.1358	0.7644	0.7572	NA	1.4515	1.3836	0.5075	NA
(2E,4E,12Z)-N-(2-methylpropyl)octadeca-2,4,12-trienamide	1.2707	1.3481	1.0512	NA	1.1398	0.5079	0.6823	NA
(2E)-4-Hydroxy-3-methylpent-2-enedioylcarnitine	1.5898	1.8100	2.3547	NA	0.1546	0.0780	0.0128	NA
2E,4Z-Octadienal	0.8736	0.8264	0.7965	NA	0.9791	1.6512	0.8732	NA
(2E)-hexenedioylcarnitine	1.4224	1.0597	1.0041	NA	0.9868	1.0273	0.4996	NA
2-Fluoro-5-hydroxy-L-phenylalanine	1.0815	0.8674	0.7455	NA	1.1150	1.2893	0.9013	NA
2-Gonen	0.5228	0.7950	0.5980	NA	1.2119	1.2241	1.6481	NA
2-Hydroxy-3-phenylpropenoate	1.0945	1.1437	0.9000	NA	0.8588	1.1243	0.8787	NA
2-Hydroxyacetophenone	0.9578	0.7767	1.1522	NA	1.1316	0.7426	1.2390	NA
2-Hydroxycampholonic acid	2.1002	1.7652	1.8682	NA	0.1043	0.1014	0.0606	NA
2^-Hydroxygenistein 7-O-(6^^-malonylglucoside)	2.0925	1.9240	1.8915	NA	0.0192	0.0315	0.0413	NA
2-Indanone	1.6407	0.9058	1.7253	NA	0.5731	0.8502	0.3049	NA
2-Isopropylphenol	0.6779	0.7055	0.7716	NA	1.2897	1.0753	1.4801	NA
2-linoleoyllysophosphatidylcholine	1.8118	1.5305	1.5719	NA	0.2827	0.3771	0.4260	NA
2-Methoxy-1,4-naphthoquinone	0.9821	0.9446	0.9945	NA	1.1656	0.9355	0.9778	NA
2-Methoxyjuglone	1.0169	0.9609	1.0704	NA	0.9310	1.0111	1.0097	NA
2-Methylnaphthalene	1.1483	1.1858	1.1875	NA	0.7612	0.9921	0.7251	NA
2-Methylpentanedioic acid	0.7545	0.9290	0.8037	NA	1.4349	0.8584	1.2195	NA
(+/-)-2-Methylthiazolidine	0.7448	0.5472	0.3806	NA	1.5641	1.5091	1.2542	NA
2-Naphthalenesulfonic acid	0.7946	0.5288	0.4265	NA	1.2105	1.5853	1.4544	NA
2-Nitroanisole	1.5477	1.7789	1.8158	NA	0.3452	0.2540	0.2584	NA
2-O-Acetyl-20-hydroxyecdysone	0.1604	0.1312	0.1019	NA	1.2039	1.5391	2.8636	NA
2-O-Acetyl-trans-coutaric acid	1.2579	1.4079	2.0194	NA	0.2863	0.4823	0.5462	NA
2-O-beta-D-glucopyranosyl 1,4-Dideoxy-1,4-imino-D-arabinitol	1.3981	1.6470	2.1342	NA	0.1472	0.3641	0.3093	NA
2-OH-C16 :0 Ceramide	0.9604	0.9861	0.9235	NA	0.9293	1.2818	0.9188	NA
2-Oleoyl-sn-glycero-3-phosphocholine	1.4905	1.2360	1.3634	NA	0.5379	0.6967	0.6756	NA
2^-O-Methyladenosine	1.3212	1.0456	0.8435	NA	0.8435	1.3424	0.6038	NA
2^-O-Methylisoliquiritigenin	0.1314	0.1675	0.1277	NA	2.3532	1.6144	1.6057	NA
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline	1.2483	1.2278	1.2769	NA	0.7446	0.6948	0.8075	NA
2-Oxoarginine	0.8957	0.8984	0.9375	NA	0.8777	1.5126	0.8779	NA
2-(p-Aminobenzamido)pyridine	1.2420	0.9198	1.2659	NA	0.8345	0.8214	0.9164	NA
(+/-)-2-Phenyl-4-methyl-2-hexenal	0.7496	0.6105	0.6034	NA	1.7586	0.9715	1.3064	NA
2-(Propan-2-yl)-9H-thioxanthen-9-one	0.9463	0.9163	0.8402	NA	1.1618	0.8908	1.2446	NA
2-Pyrocatechuic acid	0.1004	0.0719	0.0479	NA	1.9571	1.2946	2.5281	NA
(2R,3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine	1.3731	0.8238	0.6994	NA	1.1806	1.2152	0.7079	NA
(2S)-2-((1S)-1-Hydroxypentyl)-4-methoxy-2,3-dihydropyran-6-one	0.8990	0.7667	0.8955	NA	1.4355	0.8479	1.1554	NA
(2S,4S)-4-Hydroxy-2,3,4,5-tetrahydrodipicolinate	1.5106	1.7872	1.6390	NA	0.4318	0.4296	0.2017	NA
(2S,5S)-trans-Carboxymethylproline	1.0730	1.0748	1.1531	NA	0.9544	0.9600	0.7847	NA
(2Z,4Z)-2-Hydroxyhexa-2,4-dienoate	1.1475	1.3030	1.1873	NA	0.7844	0.8212	0.7566	NA
3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol	1.5902	2.1573	1.6091	NA	0.2214	0.1812	0.2408	NA
3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one	0.9210	1.2296	1.1407	NA	0.9062	0.8795	0.9229	NA
3-(2-Hydroxyethyl)histidine	1.4061	1.0639	0.9551	NA	0.9172	1.0602	0.5975	NA
3-(2-Hydroxyphenyl)propanoic acid	1.0559	1.1484	0.9469	NA	0.9869	0.9578	0.9041	NA
3-(3,4-Dihydroxyphenyl)-1-propanol	1.3069	1.3212	1.3971	NA	0.6866	0.6924	0.5957	NA
3,3^,5,5^-Tetrahydroxy-4-methoxystilbene	1.0297	0.9424	0.8361	NA	1.0046	1.2377	0.9494	NA
3-(3-Amino-3-carboxypropyl)uridine	1.1859	1.2685	1.2919	NA	0.6923	0.7408	0.8206	NA
3^,4^,7-Trimethoxyquercetin	0.3029	0.4273	0.4013	NA	0.7032	1.0080	3.1573	NA
3,4-Dicaffeoyl-1,5-quinolactone	0.4348	0.6086	0.1246	NA	1.5419	1.8373	1.4527	NA
3_4_didhydroxypregna5_17_diene10_2carbolactone	1.4350	1.2313	1.3804	NA	0.8210	0.9539	0.1783	NA
3,4-Dihydroxybenzeneacetic acid	1.6681	1.8841	1.8510	NA	0.1020	0.3520	0.1427	NA
3,4-Dihydroxyhydrocinnamic acid	0.1470	0.2290	0.1510	NA	0.7196	1.6715	3.0819	NA
3,4-Dimethoxyphenylacetic acid	1.1659	1.3630	1.2386	NA	0.6238	0.8769	0.7318	NA
3,4-Dimethoxypropiophenone	1.3304	1.3432	1.2210	NA	0.6103	0.7424	0.7526	NA
3-(4-Hydroxyphenyl)propionic acid	0.9103	0.7318	1.1544	NA	0.6779	0.5985	1.9271	NA
3-(4-Methyl-3-pentenyl)thiophene	1.1879	1.3198	1.0129	NA	0.8708	0.9526	0.6559	NA
3^,4^-Methylenedioxy-[2^^,3^^:7,8]furanoflavanone	1.3257	1.3037	1.4840	NA	0.2605	0.4270	1.1991	NA
3,4-Methylenedioxymandelic acid	1.2961	1.4122	1.4496	NA	0.5411	0.5639	0.7371	NA
3,5,6-Trimethoxy-3^,4^-methylene-dioxyfurano[2^^,3^^:7,8]flavanone	0.1414	0.2185	0.2572	NA	0.4363	1.0882	3.8583	NA
3,5,7,3^,4^,5^-Hexahydroxy-6,8-dimethylflavanone	2.3073	1.5374	1.6308	NA	0.1829	0.1424	0.1992	NA
3,6,9-Trihydroxy-4-megastigmene	1.4749	1.4281	1.2466	NA	0.5794	0.5853	0.6856	NA
3,6-Dihydrochamazulene	1.8478	1.1904	1.0973	NA	0.6455	0.4979	0.7211	NA
3,6-Dihydroxy-5,7-dimethoxyflavone	0.9704	0.6545	0.7952	NA	1.2301	1.0266	1.3231	NA
3,7-Dimethyl-1,6-octadiene-3,4-diol	0.3373	0.3855	0.2367	NA	1.9500	1.2709	1.8197	NA
3,7-Dimethyl-2,5-octadiene-1,7-diol	1.7215	1.9732	1.6458	NA	0.2371	0.1765	0.2460	NA
3,7-Dimethylguanine	1.6096	1.2703	0.9233	NA	0.7116	0.9958	0.4894	NA
3-acetamino-6-isobutyl-2,5-dioxopiperazine	1.3272	0.8598	0.9088	NA	1.0163	1.1273	0.7606	NA
3alpha,17alpha,21-Trihydroxy-5beta-pregnan-20-one	0.6746	0.7650	0.6518	NA	1.1769	1.1288	1.6029	NA
3alpha,17alpha-Dihydroxy-5beta-pregnane-11,20-dione	1.2343	1.5588	1.8516	NA	0.3956	0.3280	0.6317	NA
3alpha,20-Dihydroxy-3beta,25-epoxylupane	0.3355	0.4400	0.5442	NA	1.5488	1.5055	1.6260	NA
3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one	1.2781	1.3334	1.6043	NA	0.7380	0.6083	0.4379	NA
3-Amino-2-piperidinone	1.0440	1.3902	1.0181	NA	1.0233	0.8127	0.7117	NA
3beta-Acetoxy-11alpha-methoxy-12-ursen-28-oic acid	1.0405	1.1377	1.3921	NA	0.8290	0.8144	0.7863	NA
3beta-Fluoro-5beta-pregnan-20-one	0.9322	0.9639	0.8752	NA	1.4655	1.1096	0.6535	NA
3beta-Hydroxyonocera-8(26),14-dien-21-one	0.4681	0.4528	0.3841	NA	1.1859	1.6657	1.8435	NA
3-Chloro-L-tyrosine	1.2678	1.3118	1.1953	NA	0.8139	0.6620	0.7493	NA
3-Cyclohexyl-1-propylsulfonic acid	2.2905	1.4579	1.6419	NA	0.1996	0.0628	0.3474	NA
3-Deoxyestradiol	0.7666	1.2103	1.3459	NA	1.0858	0.8023	0.7891	NA
(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol	1.4081	0.8688	0.7702	NA	1.0837	1.1602	0.7090	NA
(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene	0.7298	0.5953	0.5765	NA	1.5066	1.4566	1.1352	NA
3-Epiursolic Acid	0.2356	0.2453	0.3036	NA	1.2413	2.0974	1.8768	NA
3-Ethyltoluene	0.9910	0.9739	0.9419	NA	1.0520	1.0802	0.9610	NA
3-Fluoro-5-[3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-5-yl]benzonitrile	0.2472	0.1417	0.1317	NA	1.3284	1.9740	2.1769	NA
3-hydroxy-3-methylglutarate	0.1195	0.1690	0.0955	NA	2.2829	2.3067	1.0263	NA
3-Hydroxy-4-(3-methyl-2-butenyl)bibenzyl	1.7568	2.0996	2.0259	NA	0.0281	0.0580	0.0316	NA
3-HYDROXY-4-(SUCCIN-2-YL)-CARYOLANE delta-LACTONE	0.9537	0.7999	0.8698	NA	1.1010	1.2369	1.0387	NA
3-Hydroxy-5-oxohexanoate	0.9796	0.9724	0.9958	NA	1.0887	1.3316	0.6318	NA
3-Hydroxy-beta-ionone	0.8154	0.8695	0.7877	NA	0.9234	1.0890	1.5150	NA
3-hydroxydecanoate	0.5521	0.5820	0.3742	NA	1.7827	1.0569	1.6521	NA
3-Hydroxyhexobarbital	1.2323	0.8997	0.7999	NA	1.0994	1.1863	0.7824	NA
3-hydroxylaurate	1.1028	1.4818	1.1192	NA	0.9881	0.6809	0.6272	NA
3-Hydroxy-L-phenylalanine	1.5747	1.8702	1.7482	NA	0.2192	0.3474	0.2403	NA
3-(Hydroxymethyl)-5,5-diphenylimidazolidine-2,4-dione	1.7410	2.2251	1.7574	NA	0.0848	0.1043	0.0873	NA
3-hydroxy-O,5-dimethyl-L-tyrosine	1.6432	2.0930	1.7054	NA	0.1700	0.2196	0.1687	NA
3^-Hydroxypterostilbene	0.5849	0.5381	0.4296	NA	1.3125	1.7096	1.4254	NA
3^-Hydroxy rocagloic acid	1.0590	0.6911	0.7847	NA	0.5076	0.9879	1.9696	NA
3-Isochromanone	0.4009	0.4113	0.3701	NA	1.5170	1.5484	1.7523	NA
3-Ketosphingosine	1.2248	0.9744	0.7948	NA	1.0610	0.9088	1.0362	NA
3-methoxy-5-phenylphenol	0.9643	0.9001	1.0463	NA	0.8543	1.0738	1.1612	NA
3-Methoxyanthranilate	0.6438	0.7145	0.7109	NA	1.4291	1.2846	1.2171	NA
3-Methoxyestra-1,3,5(10),16-tetraene	1.7768	1.7744	1.9808	NA	0.1742	0.1534	0.1403	NA
3^-Methoxyflavonol	0.1735	0.1588	0.1468	NA	2.3839	1.8174	1.3197	NA
3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol	1.3618	1.3089	1.9310	NA	0.5216	0.4077	0.4690	NA
3-Methyldioxyindole	1.6733	2.0082	1.6103	NA	0.2421	0.2343	0.2317	NA
3-methylglutaconate	0.4191	0.4611	0.5989	NA	0.7402	2.7576	1.0230	NA
3-Methylguanine	1.8397	1.6612	1.4685	NA	0.2930	0.4557	0.2818	NA
3-Methylindole	1.5059	1.3627	1.1644	NA	0.5148	0.7347	0.7175	NA
3-Methylmuconolactone	0.0128	0.0121	0.0066	NA	2.3140	1.7884	1.8661	NA
3-Methylsulfinylpropyl isothiocyanate	1.2855	1.1858	1.5663	NA	0.6633	0.6811	0.6180	NA
3-O-Acetyl-11-hydroxy-beta-boswellic acid	1.8252	1.9712	2.1811	NA	0.0061	0.0092	0.0071	NA
3-O-Caffeoylquinic acid methyl ester	2.1556	2.0294	1.4574	NA	0.1497	0.1790	0.0289	NA
3^-O-Methyldiplacone	0.0523	0.0822	0.1131	NA	0.3290	4.2486	1.1749	NA
3-Oxo-4,6-choladien-24-oic acid	1.8636	2.0920	1.9549	NA	0.0148	0.0546	0.0200	NA
3-Oxotetradecanoic acid	1.5032	0.4650	1.5078	NA	0.7285	0.9378	0.8576	NA
3-Pentadecylphenol	0.5738	0.6396	0.5835	NA	1.2041	1.2812	1.7177	NA
3-Phenyl-1H-pyrazole-4-carbaldehyde	1.3874	1.4305	1.3164	NA	0.5380	0.6251	0.7025	NA
(3R)-3-hydroxy-12^-apo-beta-carotenal	1.4760	1.8256	2.5003	NA	0.0094	0.0932	0.0954	NA
(3R)-6-Hydroxy-3-isopropenyl-heptanoate	0.9313	1.0711	0.8221	NA	1.3570	1.0728	0.7457	NA
(3S,4R)-6-Acetyl-3,4-dihydroxy-2,2-dimethylchromane	0.7418	0.7401	0.6158	NA	1.1936	1.2049	1.5038	NA
(3S,5R,6S)-5,6-Epoxy-5,6-dihydro-3-hydroxy-8^-apo-beta,psi-carotenal	1.9431	1.7452	1.9914	NA	0.0574	0.0957	0.1672	NA
3-tert-Butyl-5-methylcatechol	1.6716	1.9893	1.7756	NA	0.2115	0.1826	0.1694	NA
(3^Z,5^Z)-Celaxanthin	1.4772	2.0621	2.4297	NA	0.0098	0.0154	0.0057	NA
4-(1-methyl-2-pyrrolidinyl)-3-oxobutanoate	0.5699	0.6743	0.4288	NA	1.5737	1.5212	1.2321	NA
4,2^,4^,alpha-Tetrahydroxydihydrochalcone	0.6128	0.7538	0.6837	NA	1.2094	1.5333	1.2070	NA
4,4^-(2-Methylpropylidene)bisphenol	1.9716	2.0920	0.9776	NA	0.2236	0.3128	0.4223	NA
4,4^-Diapolycopene	1.6344	1.6083	2.0563	NA	0.2274	0.2238	0.2497	NA
4,4^-Diaponeurosporene	1.9553	1.6251	2.0541	NA	0.1116	0.1156	0.1383	NA
4,4^-Diapophytofluene	1.0493	0.9020	1.0052	NA	0.9452	0.9928	1.1054	NA
4,4^-Diapo-zeta-carotene	2.0564	1.5011	1.9779	NA	0.1388	0.1436	0.1823	NA
4,4^-Dimethylangelicin	0.8070	0.8444	0.9089	NA	0.9659	1.2285	1.2453	NA
4^,5,7-Trimethoxyflavonol	1.4481	0.9348	0.7947	NA	0.5277	0.8912	1.4035	NA
(+)-4,5-Didehydrojasmonic acid	1.2634	0.8602	1.1294	NA	0.9172	0.9970	0.8327	NA
4,5-Dihydromelampodin B	1.0347	1.3134	1.0680	NA	0.7774	1.0902	0.7162	NA
4,6,8-Trimethylazulene	0.6877	0.7077	0.7214	NA	1.4705	1.2123	1.2004	NA
4,6-Heneicosanedione	2.0017	1.5629	1.8066	NA	0.1163	0.2045	0.3080	NA
4,6-O-Ethylidene-alpha-D-glucose	0.0697	0.0498	0.0176	NA	1.8636	2.0124	1.9869	NA
4,7-Dimethoxy-1-vinyl-beta-carboline	1.8900	2.0758	1.6177	NA	0.2743	0.0907	0.0515	NA
4,7-Dimethyl-1-tetralone	1.5380	0.9551	0.9383	NA	1.0968	0.6933	0.7784	NA
4,8-Dimethylquinoline	0.8461	0.9746	1.1380	NA	0.9696	1.1369	0.9348	NA
4-Acetamido-5-[2-(4-hydroxyphenyl)ethylamino]-5-oxopentanoic acid	0.5397	0.5549	0.6007	NA	1.2482	1.4573	1.5991	NA
4alpha,14alpha-Dimethylcholesta-8,24-dien-3beta-ol	0.6763	0.6420	0.6408	NA	1.1061	1.1821	1.7527	NA
4alpha-Formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol	0.5476	0.7795	0.7276	NA	1.0707	1.2300	1.6446	NA
4alpha-Hydroxy-18-norgrindelic acid	0.6857	0.6933	0.8509	NA	1.1944	1.1429	1.4328	NA
4alpha-Phorbol 12,13-didecanoate	1.1797	0.8400	0.6091	NA	0.5453	1.5176	1.3082	NA
4beta,24S-dihydroxycholesterol	1.3802	1.0975	0.9596	NA	0.8550	0.9899	0.7177	NA
4beta-Hydroxycholesterol	0.2705	0.3479	0.2787	NA	1.6404	1.6739	1.7886	NA
4-Coumaroylshikimate	1.3622	1.7138	1.6076	NA	0.3575	0.4486	0.5103	NA
4^-Demethylepipodophyllotoxin	0.1608	0.1426	0.1627	NA	1.4479	2.1449	1.9411	NA
4-Deoxypyridoxine	1.3105	1.6429	1.5705	NA	0.4889	0.4874	0.4998	NA
4^^-Deoxyterphenyllin	1.6820	1.6032	1.2465	NA	0.3737	0.4309	0.6637	NA
4-[(E)-3-hydroxy-8,10-dimethyl-2-(methylamino)dodec-6-enyl]phenol	1.5667	1.7070	1.7523	NA	0.3751	0.3862	0.2127	NA
4-Ethylphenol	0.6279	0.7356	0.7157	NA	1.2211	0.9656	1.7340	NA
4-Formylsalicylic acid	1.8305	1.8745	2.0778	NA	0.0618	0.0585	0.0969	NA
4-Guanidinobutanal	1.1405	1.1859	1.1363	NA	0.6636	0.9364	0.9372	NA
4-Heptyloxybenzoic acid	0.5499	0.3789	0.6233	NA	1.6067	1.4289	1.4122	NA
4^-Hydroxy-2,4-dimethoxychalcone	0.0456	0.0379	0.1011	NA	1.7414	0.9613	3.1126	NA
4-Hydroxy-5-(3^,5^-dihydroxyphenyl)-valeric acid sulfate	2.1187	1.3816	2.4009	NA	0.0256	0.0416	0.0315	NA
4-Hydroxy-5-(dihydroxyphenyl)-valeric acid-O-methyl-O-sulphate	1.2450	0.7048	0.7499	NA	1.0706	1.0539	1.1758	NA
4-HYDROXY-6-METHYLPYRAN-2-ONE	1.0439	0.7036	1.0080	NA	1.1319	1.0272	1.0854	NA
4-Hydroxybenzyl alcohol	0.9146	1.1365	0.7168	NA	1.1065	1.0799	1.0456	NA
4-Hydroxycrotonic acid	0.9598	1.0278	0.9521	NA	1.0556	0.9777	1.0270	NA
4-Hydroxyphenylglyoxylate	1.6990	1.6972	2.1138	NA	0.1356	0.1396	0.2148	NA
4-Hydroxyxanthone	0.5188	0.6585	0.5176	NA	1.3191	1.4436	1.5424	NA
4-Isopropenylbenzaldehyde	0.8528	0.8808	0.8563	NA	1.1521	1.0198	1.2383	NA
4-Isopropyl-2-methylphenol	1.2578	1.4664	1.4771	NA	0.6317	0.5183	0.6488	NA
4-ISOPROPYLANILINE	0.9280	1.0352	1.1889	NA	0.9129	0.9259	1.0090	NA
4-Isopropylbenzyl alcohol	1.1788	0.8989	0.8962	NA	1.0953	1.0368	0.8940	NA
4^-Methoxy-7-O-[(E)-3-methyl-7-hydroxymethyl-2,6-octadienyl]isoflavone	0.9874	0.7898	1.0342	NA	0.3825	0.2090	2.5971	NA
4-Methoxyphenethyl alcohol	0.8772	0.9425	0.9292	NA	1.1633	0.9881	1.0997	NA
4-Methyl-3-oxoadipate	0.0079	0.0116	0.0069	NA	2.1679	1.8271	1.9786	NA
4-Methyl-3-oxoadipate-enol-lactone	0.0423	0.0470	0.0223	NA	2.1244	1.8538	1.9102	NA
4-Methylcatechol 1-glucuronide	1.1124	1.0665	2.0996	NA	0.5742	0.6583	0.4890	NA
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol	1.2593	1.2885	1.0759	NA	0.6560	0.9310	0.7893	NA
4-Methylumbelliferone	0.0416	0.0660	0.0578	NA	1.7606	1.7918	2.2821	NA
4-Methylumbelliferyl-beta-D-xylopyranoside	1.9429	1.7157	2.1256	NA	0.0617	0.0528	0.1013	NA
4-Morpholinopyridine	1.7865	1.7881	1.9197	NA	0.1641	0.1615	0.1802	NA
4-Nitrosobiphenyl	0.3870	0.5705	0.5126	NA	1.3472	1.5373	1.6455	NA
4^-(Nitrosomethylamino)-1-(3-pyridyl)-1-butanone	1.5938	1.8528	1.5715	NA	0.2581	0.2974	0.4265	NA
4-n-Pentylphenol	1.0488	1.0261	0.9183	NA	1.0224	0.9366	1.0477	NA
4-O-feruloyl-D-quinic acid	2.0456	1.7932	1.5566	NA	0.1910	0.2311	0.1825	NA
4^-O-Methylglucoliquiritigenin	0.4437	0.2374	0.3663	NA	2.1746	1.8302	0.9478	NA
4-Oxo-2-azetidinecarboxylic acid	0.6348	0.8522	0.7365	NA	1.5310	1.3427	0.9029	NA
4-Propylphenol	1.5831	1.6421	1.6068	NA	0.3324	0.3919	0.4437	NA
(4S)-4-Hydroxy-L-isoleucine	0.9361	0.9954	1.0016	NA	0.8176	1.2215	1.0278	NA
5,10-Dihydroxyfurospinulosine 1	1.6360	1.9137	1.9580	NA	0.1147	0.1782	0.1993	NA
5-(3E-Pentenyl)tetrahydro-2-oxo-3-furancarboxylic acid	0.8141	1.0905	0.9545	NA	1.1329	0.9912	1.0169	NA
5-[(3S)-1,2-Dithiolan-3-yl]pentanoylcarnitine	0.0063	0.0068	0.0031	NA	2.0370	1.6696	2.2772	NA
5,5^-Dehydrodivanillate	0.0367	0.0170	0.0404	NA	2.0527	2.0172	1.8360	NA
5,7,3^,5^-Tetrahydroxy-3,6,4^-trimethoxyflavone	1.0215	1.3483	1.2428	NA	0.8772	0.8418	0.6684	NA
5,7,4^-Trihydroxyflavonone 4^-O-xylosylglucoside	0.8132	1.0395	0.5630	NA	1.1538	1.1973	1.2332	NA
5,7-Dihydroxy-6-C-methylflavanone 7-xylosyl-(1->3)-xyloside	1.0055	1.4550	1.4819	NA	0.6075	0.9626	0.4875	NA
5,8-Dihydroxy-14-nor-7-marasmanone	0.0882	0.0475	0.0647	NA	2.4887	1.3798	1.9311	NA
5-Acetylamino-6-formylamino-3-methyluracil	1.3301	1.1476	1.2285	NA	0.7949	0.7492	0.7497	NA
5-beta-Androstane-3-alpha,17-beta-diol	0.6496	0.5223	0.4972	NA	1.3507	1.2838	1.6964	NA
5beta-Dihydrocortisol	1.7257	1.8802	1.9301	NA	0.1713	0.1376	0.1550	NA
5-Carboxyvanillic acid	1.5187	2.0189	1.7743	NA	0.2121	0.1931	0.2828	NA
5-(Heptadec-12-enyl)resorcinol	0.4494	0.4897	0.4924	NA	1.8719	1.0438	1.6528	NA
5-Hydroxyhexanoic acid	1.7358	1.9347	1.9115	NA	0.2005	0.1253	0.0921	NA
5-Hydroxyisourate	1.2469	1.2384	1.2641	NA	0.7468	0.7066	0.7972	NA
5-Hydroxymethyl-4-methyluracil	1.3589	1.9386	1.6376	NA	0.3713	0.4932	0.2004	NA
5^-methoxyhydnocarpin-D	0.0932	0.0772	0.0935	NA	1.8288	1.9026	2.0047	NA
5-Methoxyresorcinol	0.7042	0.7149	0.6645	NA	1.3943	1.1751	1.3471	NA
5-Methoxyuridine	0.5095	0.4402	0.5151	NA	1.4293	1.6047	1.5012	NA
5-Methoxyxanthocercin A	0.1239	0.0889	0.1175	NA	1.5215	1.0351	3.1130	NA
5-Methylangelicin	0.9857	0.9253	0.8247	NA	1.1112	0.9897	1.1635	NA
5^-Methylthioadenosine	0.8284	0.7553	0.6584	NA	1.0955	1.0990	1.5634	NA
5^-N-Methylcarboxamidoadenosine	0.9273	1.2637	1.1494	NA	0.7075	1.1264	0.8257	NA
5^-O-beta-D-Glucosylpyridoxine	1.0258	1.0404	1.1048	NA	0.6412	1.0004	1.1875	NA
5-oxoproline	0.7954	0.9289	0.8933	NA	1.5293	0.7767	1.0764	NA
(5Z,8Z)-1,5,8-Heptadecatriene	1.2594	1.3881	1.9929	NA	0.4411	0.4342	0.4844	NA
6,10,14-Trimethyl-2-methylenepentadecanal	0.9811	1.0534	0.5637	NA	1.3070	1.1169	0.9780	NA
6,7,8-Trihydroxycoumarin	2.0488	1.7579	0.6953	NA	0.4472	0.5228	0.5281	NA
6,7,8-Trimethoxy-2H-1-benzopyran-2-one	0.2529	0.4681	0.3383	NA	1.7138	1.9704	1.2565	NA
6,8-Tricosanedione	0.7831	0.8601	1.2213	NA	1.1044	1.0901	0.9412	NA
6|A-Hydroxy-7|A-(thiomethyl)spirolactone	0.4973	0.5896	0.6275	NA	1.4843	1.2846	1.5167	NA
6alpha-Angeloyloxy-4alpha-hydroxy-3,4,13,14-tetrahydrokolavenic acid	1.4897	1.6163	1.3494	NA	0.6068	0.5022	0.4356	NA
6-cis-Docosenamide	1.1899	0.9387	0.9776	NA	1.2605	0.7709	0.8624	NA
(6E,10E)-2,6,10-Trimethyldodeca-2,6,10-triene	1.1110	1.1624	1.7543	NA	0.6398	0.6298	0.7027	NA
6E-Geranylgeraniol-19-oic acid-1-O-methyl ether	0.9064	1.5162	1.3282	NA	1.0314	0.6718	0.5460	NA
6-Guanidino-2-oxocaproic acid	1.5413	1.4384	1.5430	NA	0.4113	0.6701	0.3959	NA
6-Hydrazinylnicotinamide	0.3950	0.4861	0.5596	NA	1.4212	1.3693	1.7689	NA
6-Hydroxymellein	0.6629	0.5819	0.4035	NA	1.9626	1.5050	0.8841	NA
6-Methylflavone	1.5169	1.2136	0.9765	NA	0.8983	0.9940	0.4007	NA
6-Nonadecynoic acid	0.2387	0.2877	0.4125	NA	1.4508	1.7447	1.8656	NA
6-O-Methylscorzocreticoside I	0.0162	0.0256	0.0155	NA	2.1692	2.3396	1.4339	NA
6-Oxo-7(9)-dehydro-6,7-dihydrogeranyl acetate	1.2744	0.9908	0.6733	NA	1.0223	1.1251	0.9142	NA
6-Oxoisoiguesterin	1.7502	1.8847	1.9125	NA	0.0993	0.1190	0.2344	NA
(6R,9R)-Roseoside	0.9320	1.0827	1.4264	NA	0.9112	0.6165	1.0312	NA
(6S,8Z)-6-Hydroxy-3-oxotetradecenoic acid	1.3533	1.1968	1.1726	NA	0.9237	0.7704	0.5831	NA
6-Tuliposide B	0.6209	0.7995	0.6133	NA	1.2241	1.5035	1.2386	NA
7,4^-Di-O-methylapigenin	1.8576	1.5054	1.0269	NA	0.2970	0.3634	0.9498	NA
7,8,3^,4^-Tetrahydroxyflavone	1.9896	1.7281	2.2410	NA	0.0084	0.0141	0.0189	NA
7-Acetoxy-5,6-dimethoxycoumarin	0.0596	0.0397	0.0416	NA	0.7492	1.9061	3.2038	NA
7-Deacetoxy-7alpha,11alpha-dihydroxygedunin	0.9277	1.5049	0.8514	NA	0.7265	0.8546	1.1348	NA
7-Dehydrocholesterol	1.2617	1.9742	1.4784	NA	0.3216	0.5374	0.4267	NA
7-Hydroxy-2,4,6-trimethoxy-9,10-dihydrophenanthrene	1.1499	0.6663	1.3160	NA	0.5780	0.7825	1.5073	NA
7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one	1.7078	1.2302	0.9058	NA	0.5976	0.5919	0.9668	NA
7-Hydroxy-6-methylhepta-3,5-dienal	1.6488	1.5932	1.5851	NA	0.3826	0.3709	0.4193	NA
7-hydroxy-L-tryptophan	0.9507	0.7255	0.7235	NA	0.7882	1.4263	1.3857	NA
7-Ketocholesterol	0.2540	0.1568	0.4395	NA	0.8019	1.2480	3.0999	NA
7-Methoxy-1,2,3,4-tetrahydroacridin-9-amine	1.6841	1.4810	2.0404	NA	0.2632	0.2868	0.2445	NA
7-Methoxyflavone	1.7705	1.1496	0.9652	NA	0.7689	0.9102	0.4356	NA
7-Methoxyrosmanol	0.6887	0.5801	0.4307	NA	1.5082	1.1418	1.6505	NA
7-Methylxanthine	1.3592	1.2774	1.1826	NA	0.8631	0.6324	0.6854	NA
7-O-(6-sinapoylglucosyl)isovitexin	1.1389	1.5367	1.9590	NA	0.4868	0.4033	0.4753	NA
7-Octene-1,6-diol	0.7775	1.0151	1.1777	NA	0.9829	0.9675	1.0794	NA
8-(2-hydroxy-3-methoxy-3-methylbutyl)-7-methoxychromen-2-one	0.9340	0.2457	0.8061	NA	0.2784	1.3210	2.4148	NA
8^-apo-beta-Carotenol	1.9315	1.9807	2.0148	NA	0.0239	0.0216	0.0274	NA
8-Azabicyclo[3.2.1]octane	1.7243	1.5046	1.3765	NA	0.3248	0.3902	0.6797	NA
8-Azahypoxanthine	1.1880	1.3025	1.3734	NA	0.6461	0.6783	0.8118	NA
8-Chloro-10-[3-(dimethylamino)propyl]phenothiazine-2,3-diol	0.6158	0.7232	1.1646	NA	2.0295	0.7847	0.6822	NA
8-Chlorotheophylline	1.0416	1.1862	0.8082	NA	0.9884	1.0291	0.9465	NA
(8E,15E)-1,8,15-Heptadecatriene-11,13-diyne	1.3183	1.2723	1.0597	NA	0.8340	0.6137	0.9020	NA
8^-Epicleomiscosin A	1.4526	1.4492	1.5216	NA	0.5102	0.5041	0.5623	NA
[8]-Gingerol	0.4726	0.4478	0.4107	NA	1.6331	1.3422	1.6936	NA
8-O-Tigloyldiderroside	1.5095	1.4810	1.9107	NA	0.3565	0.3509	0.3915	NA
8-Oxoguanine	1.2986	1.2616	1.2858	NA	0.7118	0.6892	0.7529	NA
[8]-Shogaol	1.0843	0.8704	1.0580	NA	0.8500	1.6211	0.5161	NA
8Z,11Z,14Z,17Z,20Z,23Z-hexacosahexaenoic acid	0.5350	0.4052	0.5278	NA	1.6076	1.1414	1.7831	NA
9,10-Dihydrophenanthrene	1.4464	1.7242	2.2440	NA	0.1689	0.2005	0.2160	NA
9,10-EOT	0.3315	0.4021	0.3151	NA	1.6209	1.5537	1.7766	NA
9-(alpha-D-glucosyl)dihydrozeatin	1.1171	0.9137	1.1390	NA	0.9736	1.1802	0.6764	NA
9-cis-Retinal	1.5458	1.9362	2.1847	NA	0.1655	0.1271	0.0408	NA
9-cis retinol	1.7133	1.8539	1.5205	NA	0.2499	0.3511	0.3113	NA
9-Fluoro-11beta-hydroxypregna-4,16-diene-3,20-dione	2.1135	0.9536	1.9859	NA	0.3399	0.4551	0.1520	NA
9-Geranyl-alpha-terpineol	1.5269	2.0977	2.2012	NA	0.0471	0.0639	0.0631	NA
9-Hydroxygeranyllinalol	1.8361	1.8369	2.1250	NA	0.0395	0.0596	0.1029	NA
9-Octadecen-1-amine	1.7022	0.9833	1.0598	NA	0.4498	1.0713	0.7337	NA
9-Oxo-10,12-octadecadienoic acid	0.6122	0.6599	0.3908	NA	1.0638	1.3617	1.9116	NA
9-OxoOTrE	0.8248	0.9676	0.7998	NA	1.1773	1.1135	1.1170	NA
9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate	0.5012	0.3961	0.4110	NA	1.6207	1.4751	1.5960	NA
9-phenanthryl hydrogen sulfate	1.0757	1.3249	1.4081	NA	0.6231	0.5012	1.0670	NA
9(S)-HODE	0.1802	0.3747	0.1476	NA	1.4284	1.3437	2.5254	NA
9(Z),11(E),13(E)-Octadecatrienoic Acid methyl ester	0.7404	0.9544	0.6498	NA	0.9336	1.4443	1.2775	NA
(9Z,12E)-15,16-dihydroxyoctadeca-9,12-dienoic acid	0.2379	0.2814	0.1867	NA	1.5198	1.3744	2.3998	NA
(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid	0.3845	0.3176	0.2649	NA	2.1374	1.3312	1.5644	NA
(9Z,12Z)-3-Hydroxyhexadecadienoylcarnitine	1.2204	1.2860	1.3145	NA	0.6451	0.7702	0.7638	NA
(9Z)-(13S)-12,13-Epoxyoctadeca-9,11-dienoic acid	0.3905	0.4805	0.2869	NA	1.7199	1.5172	1.6050	NA
Abacavir	0.1827	0.2321	0.2263	NA	0.2276	4.5772	0.5542	NA
Abafungin	1.3389	2.0562	2.2618	NA	0.0751	0.2014	0.0667	NA
Abbeymycin	1.3164	1.1787	1.0749	NA	0.8811	0.9650	0.5839	NA
Abietic acid	0.9454	0.9891	0.9298	NA	1.0643	1.0347	1.0367	NA
(+/-)-Abscisic acid	1.4794	1.1660	1.5725	NA	0.6147	0.4754	0.6920	NA
Acalyphin	0.3664	1.6628	0.5847	NA	0.7970	1.9142	0.6748	NA
ACENAPHTHYLENE	1.6031	1.6459	1.8197	NA	0.2646	0.2989	0.3678	NA
Acetylagmatine	0.3464	0.3135	0.5174	NA	0.9694	2.1583	1.6949	NA
Acetyl tributyl citrate	1.0291	1.1658	1.0162	NA	0.9935	0.8942	0.9012	NA
Achaetolide	0.5617	0.5901	0.4217	NA	1.4924	1.1633	1.7707	NA
Achillamide	1.6731	1.8597	1.8011	NA	0.1906	0.2463	0.2292	NA
Acyclovir	1.7354	1.5254	2.4934	NA	0.0573	0.1250	0.0635	NA
Adenine	1.3811	1.0782	0.9793	NA	0.9581	1.0407	0.5626	NA
Adenine monohydrochloride hemihydrate	1.4004	1.6547	1.5911	NA	0.4157	0.5214	0.4168	NA
Adenosine	0.4827	1.1389	1.1433	NA	1.3405	0.5789	1.3157	NA
ADENOSINE 3^,5^-CYCLIC MONOPHOSPHATE	0.6171	1.0213	1.2441	NA	0.9288	0.9216	1.2671	NA
Adriadysiolide	1.0699	0.8768	1.3666	NA	0.4073	0.3498	1.9295	NA
Afzelechin 5,4^-dimethyl ether	0.4540	0.5451	0.3973	NA	0.8086	2.5303	1.2647	NA
Agarotetrol	1.3906	0.2893	0.3729	NA	1.3724	1.2338	1.3411	NA
agrocinopine B	1.2743	1.5317	1.4040	NA	0.6633	0.4925	0.6342	NA
AICA-riboside	0.1155	0.1352	0.0908	NA	1.3077	1.4842	2.8666	NA
Aikupikanyne A	1.3227	1.1840	1.3433	NA	0.6714	0.7488	0.7298	NA
Ailanthone	1.5689	1.2717	1.4795	NA	0.6618	0.3799	0.6382	NA
Ajugol	1.5751	2.0776	2.2524	NA	0.0344	0.0279	0.0327	NA
AKBA	1.8403	2.0506	2.0514	NA	0.0113	0.0195	0.0269	NA
Ala-Glu-OH	0.2594	0.3736	0.2847	NA	1.6133	1.8179	1.6512	NA
Ala Leu Glu	1.3149	1.0396	0.7211	NA	1.0084	1.2348	0.6813	NA
Ala-Leu-Leu-Ser	1.1555	0.6073	0.6008	NA	1.2674	1.2191	1.1499	NA
Ala-Leu-Val-Ser	1.1598	0.8137	0.6731	NA	1.1919	1.1311	1.0303	NA
Alanylhydroxyproline	1.0567	0.7704	0.6709	NA	1.2587	1.4219	0.8213	NA
Alanylthreonine	1.1453	0.9713	0.8349	NA	1.2280	1.1190	0.7016	NA
Alanyltyrosine	1.6526	1.0967	0.9746	NA	0.8104	0.7819	0.6838	NA
Ala-Val	1.1507	0.9377	0.8760	NA	1.0478	1.2093	0.7785	NA
Albiflorin	0.4488	0.3588	0.3751	NA	1.5964	1.3211	1.8998	NA
Albocycline M-1	0.7281	0.6594	0.6820	NA	1.2363	1.2308	1.4634	NA
Albonoursin	1.9379	1.6851	2.3401	NA	0.0103	0.0149	0.0117	NA
alcaligin	0.9415	0.8845	0.6912	NA	1.2097	1.2686	1.0046	NA
Alconil	0.1621	0.1634	0.2198	NA	2.4092	1.7094	1.3362	NA
Alisol A	0.0531	0.0554	0.0438	NA	0.7971	3.1828	1.8678	NA
Alisol A 24-acetate	1.5517	2.2692	2.1628	NA	0.0052	0.0065	0.0046	NA
Alisol B 23-acetate	2.0080	1.9659	1.9733	NA	0.0200	0.0204	0.0124	NA
Alisol C 23-acetate	1.9307	1.8332	2.1459	NA	0.0304	0.0318	0.0281	NA
Allantoic acid	1.3403	1.2786	1.1211	NA	0.8043	0.6800	0.7756	NA
Allantoin	1.4086	1.2627	1.1939	NA	0.7712	0.6582	0.7054	NA
(all-E)-1,7,9-Heptadecatriene-11,13,15-triyne	1.6496	2.0501	2.0404	NA	0.0576	0.1055	0.0968	NA
(all-E)-3,5,7-Tridecatriene-9,11-diyn-1-ol	1.0475	0.8931	1.0997	NA	1.2044	0.8604	0.8949	NA
Alliacolide	0.7189	0.5205	0.4798	NA	1.4898	1.4531	1.3378	NA
Allobarbital	1.3320	1.4674	1.2979	NA	0.5288	0.7174	0.6565	NA
Allopatuletin	1.6961	1.3509	0.2376	NA	0.9885	1.0069	0.7199	NA
Allosamidin	1.6224	1.7314	2.5820	NA	0.0163	0.0269	0.0209	NA
(+)-Allosedridine	0.6690	0.7408	0.6766	NA	1.2936	1.4217	1.1982	NA
Allylestrenol	0.7742	1.0439	0.7332	NA	1.2564	0.9995	1.1928	NA
Aloenin	0.6142	0.5890	0.5781	NA	1.4386	1.4453	1.3347	NA
alpha,4-Dimethylstyrene	1.6666	1.7724	1.9424	NA	0.1805	0.1846	0.2535	NA
alpha-(4-Fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazine butanol	0.7519	0.7798	0.5660	NA	1.5084	1.4501	0.9438	NA
alpha-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID	1.1898	1.0135	0.9235	NA	1.0864	1.2363	0.5505	NA
alpha-Asp-Ile	1.1027	0.7709	0.7237	NA	1.1938	1.4025	0.8064	NA
alpha-Boswellic acid	0.2358	0.2666	0.2119	NA	0.8700	2.3030	2.1128	NA
alpha-Cyclogeraniol acetate	2.2347	1.9050	1.7793	NA	0.0269	0.0231	0.0310	NA
alpha-Hederin	1.7687	1.7812	2.2367	NA	0.0764	0.0803	0.0567	NA
alpha-Irone	0.8731	1.0544	0.7941	NA	1.1539	1.1870	0.9374	NA
alpha-Linolenic acid	0.7281	0.8232	0.6384	NA	1.1561	1.1058	1.5484	NA
alpha-Linolenoyl Ethanolamide	1.4447	1.7652	1.4766	NA	0.3892	0.4990	0.4253	NA
alpha-L-Rhamnose monohydrate	0.9496	0.4079	0.8977	NA	1.1750	1.5256	1.0442	NA
alpha-Methylstyrene	0.8847	0.9182	0.9463	NA	1.0385	1.0849	1.1274	NA
alpha-Tocomonoenol	0.9906	1.1468	1.5926	NA	0.8752	0.6087	0.7862	NA
alpha-Tocopherol succinate	1.1025	1.1181	0.6425	NA	1.0635	1.1949	0.8785	NA
alpha-Zearalanol	0.5519	0.5253	0.5755	NA	1.7630	1.3042	1.2802	NA
Altiloxin A	0.5060	0.6880	0.7299	NA	1.2958	1.2474	1.5330	NA
Ambrein	1.4608	1.4256	1.2020	NA	0.8196	0.2780	0.8140	NA
Ambroxide	0.9471	0.9283	0.8698	NA	1.1580	1.0984	0.9985	NA
Amifloxacin	0.4913	1.5796	0.6441	NA	1.4581	1.1514	0.6754	NA
Aminocaproic acid	0.5759	0.6696	0.6826	NA	1.4058	1.4744	1.1917	NA
Aminofurantoin	1.1957	1.2557	1.2902	NA	0.7730	0.7123	0.7731	NA
Aminomethanesulfonic acid	1.4173	1.2780	1.2375	NA	0.7440	0.6415	0.6817	NA
Amphidinolide B	1.1519	0.9102	0.6748	NA	0.7465	1.1099	1.4067	NA
Amphorogynine D	0.6886	0.9690	0.5708	NA	1.0360	1.3223	1.4133	NA
Andrachcine	1.5970	1.5474	1.4373	NA	0.3755	0.5334	0.5095	NA
Andrachcinidine	1.3363	1.2541	1.0680	NA	0.7710	0.7287	0.8418	NA
Anhydrovitamin A1	1.7393	1.7187	1.4115	NA	0.3696	0.3522	0.4087	NA
Anisomycin	1.0589	1.0086	1.3499	NA	0.8794	0.9339	0.7693	NA
Annuionone E	0.8472	0.8169	0.6925	NA	1.3455	1.1682	1.1297	NA
Anofinic acid	2.5926	0.5523	1.3519	NA	0.7199	0.3124	0.4709	NA
Anserine	2.0157	1.0367	1.0182	NA	0.8726	0.7313	0.3255	NA
Antibiotic KO 7888B	1.6429	2.4561	1.4540	NA	0.0757	0.1345	0.2367	NA
Antibiotic Tue 2480F1	1.3061	1.0825	0.9305	NA	0.9389	1.0300	0.7120	NA
Apigenin 7-O-malonylglucoside	0.7337	0.7421	0.6946	NA	1.3096	1.4051	1.1148	NA
Apiin	0.0585	0.0586	0.0780	NA	1.9228	2.1735	1.7086	NA
Apiopaeonoside	1.6194	1.8053	1.9389	NA	0.1303	0.2229	0.2831	NA
Apo-10^-zeaxanthinal	1.4240	2.0425	2.4625	NA	0.0210	0.0211	0.0288	NA
Apocarotenal	1.7761	1.7528	2.2061	NA	0.0946	0.0860	0.0845	NA
Aralia cerebroside	1.0849	1.0352	1.0220	NA	1.1108	0.9521	0.7950	NA
Arctiin	1.6850	1.7267	1.8485	NA	0.2400	0.2362	0.2636	NA
Ardisiaquinone D	0.7316	1.0827	0.8197	NA	1.0920	1.0749	1.1992	NA
Arg Glu Leu	1.4632	0.9203	0.6291	NA	0.9729	1.3369	0.6776	NA
Arg Ile Leu	0.9250	0.7367	0.7657	NA	1.1966	1.5072	0.8688	NA
Arginylglutamine	2.1044	1.2439	1.0671	NA	0.5478	0.7015	0.3354	NA
Arg Leu Ile	1.3628	0.9784	0.7928	NA	1.0361	1.2182	0.6116	NA
Arg Phe Ala	1.3307	1.4268	1.2744	NA	0.6698	0.6670	0.6313	NA
Arg Phe Thr	0.2744	0.2672	0.2812	NA	1.6122	1.5125	2.0525	NA
Arg Val Leu	1.2059	0.9113	0.7839	NA	1.0579	1.2024	0.8386	NA
Arg Val Phe	1.0918	0.8285	0.6337	NA	1.1999	1.3158	0.9303	NA
Arieianal	0.6775	0.1418	0.4789	NA	1.5408	1.7830	1.3781	NA
Aristolactam I	1.6796	1.6900	2.0258	NA	0.1962	0.1931	0.2154	NA
Arjunetin	2.0587	1.5152	2.1369	NA	0.0949	0.0938	0.1004	NA
Armillane	0.5140	0.5915	0.4150	NA	1.5239	1.7222	1.2334	NA
Arnidiol	0.6739	0.5677	0.5213	NA	1.2066	1.4610	1.5696	NA
Aromadendrin 4^-methyl ether	0.8623	0.8187	0.7200	NA	1.3381	1.1036	1.1573	NA
Arteincultone	0.1890	0.2384	0.2655	NA	1.4578	1.7878	2.0615	NA
Artemether	0.0826	0.0954	0.1053	NA	2.0934	0.9767	2.6466	NA
Artemisinin	0.6704	0.7602	0.8795	NA	1.0641	1.1523	1.4735	NA
Artoindonesianin O	1.7124	1.7859	1.8879	NA	0.2445	0.1504	0.2189	NA
Artonin P	0.0472	0.0245	0.0269	NA	1.8021	1.2251	2.8742	NA
AS 1-5	1.0850	1.3009	1.2340	NA	0.7514	0.8557	0.7730	NA
Ascorbigen A	1.4642	2.1145	1.8370	NA	0.2474	0.2356	0.1012	NA
Asiatic acid	0.0059	0.0094	0.0074	NA	0.3531	1.7163	3.9078	NA
Asiaticoside B	0.7915	0.8623	0.8852	NA	1.2811	0.8381	1.3418	NA
Asn Ile Leu	1.1343	0.8709	0.7453	NA	1.1473	1.3143	0.7879	NA
Asn-Leu-Leu-Ser	1.3793	0.9181	0.5649	NA	1.0468	1.2364	0.8546	NA
Asn Thr His	1.3063	1.1455	1.1899	NA	0.7157	0.7615	0.8812	NA
Asn-Tyr	1.2942	0.8463	0.5944	NA	1.2984	0.9813	0.9854	NA
Asn Val Leu	1.2503	0.6514	0.5583	NA	1.2948	1.3737	0.8715	NA
Asparaginylasparagine	2.4549	0.3856	2.0963	NA	0.3918	0.3256	0.3457	NA
Asparaginyl-Lysine	0.3383	0.1893	0.2411	NA	1.5886	1.6706	1.9722	NA
Asparaginyl-Serine	0.4523	0.2420	0.3065	NA	1.5578	1.6328	1.8085	NA
Aspartyl-Histidine	0.5310	0.3671	0.5807	NA	1.0767	1.5580	1.8865	NA
Aspartylhydroxyproline	1.4715	1.6032	1.6457	NA	0.4190	0.3375	0.5231	NA
Aspartylphenylalanine	1.0718	0.7916	0.6309	NA	1.2906	1.4445	0.7705	NA
Aspartyltyrosine	0.6454	0.5767	0.5211	NA	1.4916	1.7045	1.0606	NA
Asp Asn His	2.2531	1.7465	1.6244	NA	0.2236	0.0803	0.0720	NA
Asp-Asp	1.5401	2.1149	1.9232	NA	0.1115	0.1001	0.2101	NA
Asperitaconic acid B	0.8785	0.9682	1.0381	NA	1.2182	1.0877	0.8092	NA
Asperorydine J	0.6357	0.9178	0.5831	NA	1.4669	1.4878	0.9086	NA
Asperuloside	1.6834	1.3980	1.3430	NA	0.5632	0.4469	0.5656	NA
Asp Glu Arg	0.8783	0.9770	1.0511	NA	1.3548	0.8289	0.9099	NA
Asp His Phe	1.2422	1.5149	2.5621	NA	0.1606	0.1888	0.3314	NA
Asp Leu Leu	0.9690	0.5970	0.5037	NA	1.1214	1.9638	0.8450	NA
Asp-Val	0.7241	0.6230	0.5596	NA	1.2704	1.6350	1.1879	NA
Asp-Val-Val-Val	1.1401	0.8574	0.7620	NA	1.0852	1.3503	0.8050	NA
Astilbin	1.0327	0.6283	0.8418	NA	1.4545	1.0248	1.0180	NA
Astragaloside I	0.1276	0.1494	0.1839	NA	2.0295	1.6541	1.8556	NA
Astragaloside II	0.0173	0.0267	0.0210	NA	2.1884	2.1597	1.5869	NA
Astragaloside V	1.3709	1.4936	1.5332	NA	0.4082	0.6739	0.5201	NA
Astragenol	0.3661	0.2999	0.2888	NA	1.7156	1.5919	1.7377	NA
Asymmetric dimethylarginine	1.2491	1.1540	1.1578	NA	0.7962	0.7923	0.8506	NA
Atractylenolide III	1.2670	1.5237	1.1088	NA	0.6175	0.5721	0.9110	NA
Aurin	2.7888	0.5851	0.9296	NA	0.2060	0.4346	1.0559	NA
Avermectin A1b monosaccharide	1.5236	1.7577	2.0691	NA	0.1996	0.2358	0.2141	NA
Avermectin B1b monosaccharide	0.0143	0.0184	0.0097	NA	1.7584	1.9546	2.2446	NA
Avocadyne 2-acetate	0.9516	0.7046	0.7816	NA	1.2491	1.2508	1.0622	NA
Axerophthene	2.0951	1.6461	1.6123	NA	0.1726	0.1645	0.3094	NA
Azacyclotridecan-2-one	0.9145	0.9838	0.9136	NA	1.1525	1.0475	0.9881	NA
Bacopasaponin C	1.4910	1.4540	2.7108	NA	0.0485	0.2038	0.0919	NA
Bacoside A3	0.0929	0.0655	0.2162	NA	2.2268	1.8652	1.5335	NA
Bakankoside	0.0479	0.0778	0.1137	NA	1.7822	1.9262	2.0522	NA
Baldrinal	0.2577	0.3112	0.3086	NA	1.7367	1.8258	1.5599	NA
Bancroftinone	0.4776	0.5323	0.6691	NA	0.4531	3.1537	0.7142	NA
Barbatol	0.4927	0.5466	0.4765	NA	1.4916	1.5136	1.4789	NA
Barringtogenol C	0.0216	0.0444	0.0900	NA	1.5240	2.6557	1.6642	NA
Bavachalcone	1.8668	1.8204	1.3578	NA	0.3571	0.2100	0.3879	NA
Bayogenin	1.2684	1.1147	1.2926	NA	0.7227	0.4628	1.1388	NA
Bellendine	0.8399	1.0177	0.8303	NA	1.1682	0.9827	1.1613	NA
Bengamide E	0.5255	1.4105	1.2605	NA	0.8685	0.9333	1.0017	NA
Benzo[b]naphtho[2,1-d]thiophene	0.4204	0.5596	0.2327	NA	1.5219	1.9113	1.3541	NA
Benzo[c]phenanthren-2-ol	0.9232	1.2989	2.3379	NA	0.4873	0.4357	0.5170	NA
Benzofuran ketone	1.8104	1.9216	1.9087	NA	0.1202	0.1399	0.0994	NA
Benzyl benzoate	2.3702	1.2558	1.1708	NA	0.4454	0.3608	0.3971	NA
Benzylformate	1.0244	1.0317	0.9264	NA	1.1202	0.9243	0.9731	NA
Bergenin	1.9154	1.6792	1.7647	NA	0.1645	0.2388	0.2374	NA
(-)-Bestatin	0.3261	0.3314	0.0867	NA	1.4886	0.9995	2.7677	NA
beta-Alanyl-L-arginine	1.5969	1.1154	0.9084	NA	0.8937	0.8574	0.6282	NA
beta-Amyrone	1.1642	1.0097	0.9315	NA	0.9376	1.0795	0.8775	NA
Beta-asarone	0.5002	0.4634	0.3585	NA	1.8787	1.2888	1.5105	NA
beta-Aspartylaspartic acid	1.4459	2.4243	1.7876	NA	0.1059	0.0935	0.1428	NA
beta-Citraurin	1.8205	1.7960	2.1876	NA	0.0595	0.0563	0.0801	NA
beta-Damascone	1.6700	1.4880	1.8297	NA	0.4113	0.2534	0.3475	NA
beta-D-Glucopyranosyl abscisate	1.4531	1.2704	1.4207	NA	0.4444	0.6509	0.7605	NA
beta-Elemonic acid	0.1595	0.1802	0.1494	NA	1.2934	1.7964	2.4212	NA
Betaenone B	0.3502	0.4855	0.4876	NA	1.4706	1.0152	2.1910	NA
Betaenone D	0.0926	0.1246	0.1876	NA	1.8383	2.0158	1.7411	NA
beta-fenchocamphorone	0.9392	0.9589	0.8981	NA	1.2071	1.0795	0.9171	NA
beta-Ionone	0.9850	0.9558	0.9017	NA	1.0864	0.9834	1.0877	NA
beta-L-Fucose 1-phosphate	0.9967	0.7788	0.5348	NA	1.0268	1.3185	1.3444	NA
BETAMIPRON	0.3937	0.7872	0.7128	NA	1.1057	1.7326	1.2680	NA
beta-Springene	1.4992	2.0728	2.1556	NA	0.0713	0.0940	0.1071	NA
beta-TOXICAROL	0.3100	0.3459	0.1920	NA	1.7115	1.5344	1.9062	NA
Betuletol 3-glucoside	1.4783	1.5447	1.1747	NA	0.5847	0.5755	0.6421	NA
Betulinan A	0.8342	0.5366	0.3467	NA	1.3771	1.3336	1.5718	NA
bis-(4-hydroxybenzyl)sulfide	1.8135	1.8816	2.0616	NA	0.1025	0.0897	0.0511	NA
Bisabolol oxide A	1.6517	1.4445	1.5642	NA	0.4598	0.3631	0.5167	NA
Bisdemethoxycurcumin	1.3011	0.9452	0.7814	NA	0.9553	0.8786	1.1384	NA
Bisphenol A bis(2-hydroxyethyl)ether	0.2429	0.2931	0.1574	NA	1.3365	1.7401	2.2299	NA
Bisucaberin	1.3209	0.5572	0.4917	NA	1.1289	1.6336	0.8677	NA
Bitalin A	0.6778	0.4185	0.4902	NA	1.0653	1.4394	1.9089	NA
(-)-Blestriarene C	0.8355	0.5485	0.6826	NA	1.5102	1.1202	1.3029	NA
Blinin	0.1734	1.3368	0.2746	NA	1.5475	1.6809	0.9868	NA
Blonanserin	0.3202	0.3413	0.3629	NA	1.3561	1.7348	1.8848	NA
Bombykol	1.0374	1.1497	1.0996	NA	0.9121	0.9101	0.8913	NA
Bouchardatine	0.2423	0.5702	0.1457	NA	1.9197	2.6468	0.4752	NA
Bourgeanic acid	1.9364	2.1418	1.5796	NA	0.1110	0.1109	0.1203	NA
Brachystemidine B	1.3987	1.6334	1.6051	NA	0.3733	0.5661	0.4233	NA
Brachystemidine C	1.9508	2.0248	1.8947	NA	0.0318	0.0562	0.0418	NA
Brassicasterol	0.4842	0.5305	0.5448	NA	1.2628	1.5436	1.6341	NA
Brassicin	2.3378	2.0870	1.2873	NA	0.0576	0.0654	0.1649	NA
Brassidic acid	1.2254	0.9354	0.9797	NA	1.2678	0.7419	0.8499	NA
Brefeldin A	0.0954	0.0922	0.1321	NA	1.7640	1.5848	2.3316	NA
Brunnein A	0.3955	0.5661	0.4720	NA	1.3698	1.5042	1.6924	NA
Bryonioside G	0.4059	0.3480	0.3662	NA	1.5781	1.7818	1.5200	NA
Bufalin	1.6963	1.3995	2.8499	NA	0.0201	0.0156	0.0186	NA
Bussealin E	0.6829	0.7906	0.6078	NA	0.8562	1.5390	1.5236	NA
(+)-Butalactin	0.5424	1.0388	1.6469	NA	1.1877	0.9024	0.6818	NA
Buturon	1.1166	1.0254	0.7896	NA	1.3142	0.8502	0.9038	NA
Butylidenephthalide	0.9704	1.0133	1.0393	NA	0.8035	0.9820	1.1915	NA
C16 Sphinganine	0.7191	0.6855	0.5603	NA	1.1789	1.2023	1.6539	NA
C-2 Ceramide	0.1130	0.1034	0.1002	NA	1.2612	2.1124	2.3099	NA
CADALENE	1.5976	1.2110	1.7796	NA	0.4315	0.4628	0.5174	NA
Cadinene	0.7844	0.9331	1.3188	NA	0.9614	0.9464	1.0558	NA
Caerulomycin I	0.7378	1.1623	1.2186	NA	0.9818	1.0125	0.8870	NA
Cafestol	2.3219	1.6975	1.7378	NA	0.0405	0.0750	0.1273	NA
Caffeate	0.7858	1.2017	1.0829	NA	0.9101	1.0005	1.0191	NA
Caffeic acid 3-glucoside	1.6148	1.6026	2.7599	NA	0.0036	0.0077	0.0113	NA
Caffeic acid 4-O-glucuronide	1.5522	1.5033	2.2389	NA	0.1952	0.1359	0.3744	NA
Caffeine	0.5693	0.7345	0.5017	NA	1.5379	1.5631	1.0935	NA
Cajaisoflavone	0.0607	0.0678	0.0986	NA	0.6782	1.2328	3.8619	NA
Calcidiol	0.1870	0.1668	0.0879	NA	0.9401	2.8701	1.7481	NA
Calenduloside E	2.2556	1.4346	2.1440	NA	0.0278	0.0677	0.0703	NA
Callicarpenal	0.8627	0.8845	0.8051	NA	1.1050	1.2020	1.1408	NA
Callyspongenol A	2.4022	1.6400	1.3416	NA	0.1736	0.2200	0.2226	NA
Callytetrayne	0.5306	0.7212	0.8405	NA	1.2403	1.4786	1.1889	NA
Caloxanthone D	0.1509	0.1551	0.1907	NA	1.7109	1.5793	2.2132	NA
Calycosin-7-O-beta-D-glucoside	1.3272	0.7599	0.8562	NA	1.3748	1.0116	0.6702	NA
Calyflorenone A	1.5039	1.7076	2.5387	NA	0.0925	0.0674	0.0898	NA
Canagliflozin	2.0937	1.0214	1.5013	NA	0.4705	0.4954	0.4177	NA
Canrenone	1.1155	1.3312	1.3148	NA	0.5378	0.8261	0.8744	NA
Caperatic acid	0.2338	0.3438	0.4856	NA	1.4808	1.5875	1.8686	NA
Capillanol	0.5111	0.5432	0.6369	NA	1.3514	1.6290	1.3283	NA
Capsi-amide	1.2377	1.1873	1.2046	NA	0.8055	0.7943	0.7704	NA
carbidopa	1.1079	1.2231	1.1251	NA	0.7704	0.9450	0.8284	NA
Carriebowmide	1.0353	1.1280	1.1579	NA	0.9757	0.8273	0.8758	NA
Caryophyllene oxide	0.8220	0.8259	0.9139	NA	1.2000	1.1842	1.0540	NA
Cassipourol	1.5364	1.4289	2.1875	NA	0.4524	0.2141	0.1806	NA
Castanospermine	1.6054	1.6702	1.7335	NA	0.2671	0.4300	0.2940	NA
Casuarine	1.4304	1.7133	1.9222	NA	0.2733	0.3429	0.3179	NA
Cbhcy	2.0889	1.4121	1.7964	NA	0.2947	0.2052	0.2027	NA
Celastrol	1.5835	1.5759	2.2432	NA	0.2291	0.1722	0.1962	NA
Cerasidin	0.1551	0.1761	0.1054	NA	1.8074	1.7274	2.0285	NA
Cer(d18:0/12:0)	1.0116	1.0248	0.8973	NA	0.9490	0.9500	1.1672	NA
Cer(d18:0/18:0)	0.6413	0.7396	0.2504	NA	1.6044	1.2919	1.4724	NA
Cetoniacytone A	0.9897	1.1796	1.0598	NA	0.7063	1.0959	0.9688	NA
Chaksine	1.1597	1.3012	0.9310	NA	0.9041	0.8598	0.8441	NA
Chamazulene	0.9805	0.9202	0.9678	NA	1.2724	0.8101	1.0491	NA
(+)-Chamecynenol	0.6391	0.6171	0.6905	NA	1.3180	1.3481	1.3872	NA
Chandrananimycin A	0.9129	1.1090	0.8607	NA	0.9482	1.1050	1.0641	NA
Chichipegenin	1.5778	1.4126	1.0414	NA	0.6926	0.4717	0.8039	NA
Chlorogenoquinone	0.1221	0.1469	0.1311	NA	1.9733	1.9208	1.7058	NA
Chokol G	1.1143	1.0590	0.9315	NA	1.0855	0.7984	1.0113	NA
Cholestenone	0.8159	0.6055	0.6527	NA	0.9274	1.7781	1.2204	NA
(-)-Chrysogine	1.1486	1.0491	0.9249	NA	0.6899	1.1838	1.0038	NA
Cilostamide	1.3650	1.4326	1.0501	NA	0.9732	0.5942	0.5850	NA
Cinchophen	0.6623	0.7677	1.0883	NA	1.7474	1.1758	0.5585	NA
Cinmethylin	1.0439	0.8810	1.2057	NA	0.8623	0.7791	1.2279	NA
Cinnamic acid	1.6783	1.1472	1.3796	NA	0.6273	0.6087	0.5590	NA
Cinobufotalin	0.5440	0.7426	0.4209	NA	1.5164	1.1277	1.6483	NA
Circinamide	1.8537	1.4316	1.5462	NA	0.3995	0.5428	0.2263	NA
cis-11,14,17-Eicosatrienoic acid	1.4625	1.7930	2.6365	NA	0.0703	0.0226	0.0152	NA
cis-11,14-Eicosadienoic acid	1.1971	1.0194	1.0469	NA	0.9458	0.9616	0.8292	NA
cis-11-Eicosenoic acid	1.1092	1.0534	1.0319	NA	0.8809	0.9220	1.0026	NA
cis-1,2-Dihydroxy-1,2-dihydro-8-methylnaphthalene	1.1022	0.8610	0.7768	NA	1.4320	1.0400	0.7880	NA
cis-13,16-Docosadienoic acid	1.0649	0.6621	0.5819	NA	1.8195	0.8679	1.0038	NA
cis-4,7,10,13,16-Docosapentaenoic acid	1.3609	1.1712	1.8492	NA	0.5823	0.4558	0.5806	NA
cis-5,8,11,14,17-Eicosapentaenoic acid	1.5282	1.9480	1.9746	NA	0.2409	0.1884	0.1198	NA
cis-7,10,13,16-Docosic acidtraenoic acid	1.7832	2.0291	1.5829	NA	0.2262	0.2007	0.1779	NA
cis-Acetylacrylate	0.1215	0.1126	0.0823	NA	1.9564	1.7702	1.9571	NA
cis-(Homo)3-aconitate	0.1997	0.2176	0.2234	NA	1.9420	1.7326	1.6847	NA
cis-Linoleic acid	0.6706	0.8573	0.5697	NA	1.3658	1.3694	1.1673	NA
Citrinin	0.4750	0.4817	0.3959	NA	1.4272	1.7298	1.4903	NA
Ciwujianoside D2	0.1395	0.1311	0.0490	NA	1.4891	1.8614	2.3301	NA
Cladospolide B	0.7767	0.7489	0.7846	NA	1.2218	0.9678	1.5002	NA
(+)-Clavicoronic acid	0.9490	1.1834	1.3308	NA	0.7502	0.7798	1.0068	NA
Clocinnamox	1.5482	1.4121	1.9645	NA	0.1920	0.2333	0.6499	NA
Clotrimazole	1.7377	2.1897	2.0455	NA	0.0100	0.0072	0.0098	NA
Codlemone	1.0466	1.0060	0.7894	NA	1.2384	0.9832	0.9364	NA
Colcemid	1.2183	1.1895	0.9712	NA	0.8267	1.2517	0.5425	NA
Colneleic acid	0.3021	0.3441	0.2168	NA	1.5411	1.4198	2.1760	NA
(+)-Columbianetin	1.1163	1.1642	0.7542	NA	0.9738	1.0719	0.9195	NA
Colutehydroquinone	0.2118	0.4296	0.3143	NA	0.9443	1.0326	3.0674	NA
Comazaphilone C	1.0581	1.0176	0.8646	NA	0.8404	0.9881	1.2311	NA
Combretanone E	0.7344	4.4249	0.1613	NA	0.2438	0.2196	0.2160	NA
Confluentin	1.6740	1.7290	2.4671	NA	0.0350	0.0359	0.0591	NA
Coniferin	0.7289	0.5556	0.5807	NA	1.4043	0.9872	1.7433	NA
coniferonic acid	1.1938	1.8910	1.4801	NA	0.4041	0.4205	0.6105	NA
Coniochaeton A	0.1560	0.1231	0.1204	NA	1.9006	1.8957	1.8043	NA
Coproporphyrin I	1.6790	1.8373	2.3352	NA	0.0536	0.0300	0.0649	NA
Corchorifatty acid B	0.4793	0.5965	0.5633	NA	1.3513	1.2798	1.7298	NA
Cordycepin	0.2813	0.5649	0.4162	NA	1.4489	1.5709	1.7177	NA
Corosolic acid	0.1054	0.0605	0.1557	NA	1.9785	1.8953	1.8045	NA
Cortisone acetate	0.0420	0.0357	0.0727	NA	0.2478	4.5496	1.0522	NA
Coumarleucasin	1.9708	1.7437	2.0765	NA	0.0356	0.0661	0.1073	NA
CPA(16:0/0:0)	0.9163	0.7492	0.6008	NA	1.1122	1.0622	1.5592	NA
CPA(18:1(11Z)/0:0)	0.8832	0.6653	0.5721	NA	1.4371	1.0721	1.3702	NA
CPA(18:2(9Z,12Z)/0:0)	0.6514	0.9900	0.6935	NA	1.1727	1.0988	1.3935	NA
Cratoxyarborequinone A	1.6270	1.4453	1.4390	NA	0.4829	0.4754	0.5303	NA
Creatine glutamate	0.8547	0.2662	0.6286	NA	1.2680	1.4630	1.5195	NA
Crenulatin	1.3880	0.9027	1.0743	NA	1.0165	0.7862	0.8324	NA
Crenulatoside C	0.8198	1.5735	1.5029	NA	0.7053	0.5680	0.8305	NA
Crepenynate	0.9415	0.8783	0.8413	NA	1.1909	1.0223	1.1256	NA
Crispine A	1.3893	1.3550	1.8977	NA	0.5621	0.6584	0.1376	NA
Cryptotanshinone	2.1276	1.4671	1.1845	NA	0.4133	0.5156	0.2919	NA
Cucumegastigmane I	0.1584	0.1758	0.2048	NA	2.2025	1.3561	1.9024	NA
Cumene	0.8427	0.8926	0.8331	NA	0.9800	1.2605	1.1910	NA
Curcumol	1.4834	1.2679	1.7032	NA	0.3748	0.4238	0.7469	NA
cyanidin 3-O-beta-D-(p-coumaroyl)-sambubioside	1.6625	1.6485	2.2150	NA	0.1555	0.1204	0.1980	NA
Cyaonoside B	0.0976	0.0952	0.0857	NA	1.9272	1.8665	1.9278	NA
Cyclic N-Acetyl-D-mannosamine	0.0154	0.0100	0.0125	NA	2.4043	1.5823	1.9755	NA
Cyclo(Ala-Ile)	1.1769	1.2188	0.7468	NA	0.9551	1.1391	0.7632	NA
Cyclogalegenin	0.0390	0.0391	0.0319	NA	1.8085	2.5013	1.5802	NA
Cyrmenin A	1.2793	1.3440	1.5006	NA	0.7523	0.5057	0.6181	NA
Cysteinylglycine	0.6864	2.1866	1.7564	NA	0.4612	0.5919	0.3176	NA
Cytarabine	1.6634	1.2366	1.1268	NA	0.5735	0.9552	0.4445	NA
Cytosine	1.5383	1.3104	1.0484	NA	0.6180	0.9993	0.4855	NA
Cytosporin D	0.8272	0.8343	0.8664	NA	1.1253	1.0755	1.2713	NA
dA	0.9717	2.2195	1.3746	NA	0.4294	0.5567	0.4481	NA
D-Alanyl-D-serine	0.0372	0.0308	0.0370	NA	1.9332	1.9275	2.0344	NA
Daldinone B	1.4747	1.8142	1.9594	NA	0.3976	0.2478	0.1064	NA
D-alpha-Tocopherylquinone	0.9706	1.1268	1.4460	NA	0.8249	0.6812	0.9505	NA
Dalspinin	1.3671	1.1253	1.3483	NA	0.2557	0.5928	1.3107	NA
Damascenone	1.0643	1.1515	1.2803	NA	0.7928	0.5282	1.1829	NA
Darutoside	2.3513	1.3796	1.7914	NA	0.1827	0.1768	0.1182	NA
Daucosterol	0.7954	0.8974	0.7898	NA	1.2072	1.1779	1.1323	NA
D-Dopa	1.4739	2.3785	1.2458	NA	0.2845	0.2847	0.3327	NA
Debromosceptrin	1.8436	1.9660	1.9333	NA	0.0897	0.0955	0.0719	NA
Decaethylene glycol	0.7582	0.8819	0.5299	NA	1.4211	1.4126	0.9962	NA
Decarbamoylneosaxitoxin	2.4737	1.6042	1.7589	NA	0.0505	0.0746	0.0381	NA
Decylubiquinol	0.4312	0.3777	0.3264	NA	1.5089	1.7198	1.6361	NA
Decylubiquinone	0.4164	0.4071	0.4200	NA	1.4999	1.5907	1.6659	NA
DEHP	1.6506	1.7992	1.9430	NA	0.1895	0.2200	0.1977	NA
Dehydrobisgravillol	1.8112	1.7873	2.0732	NA	0.0531	0.1273	0.1478	NA
Dehydrodeguelin	0.2864	0.2746	0.1831	NA	1.6799	1.6367	1.9392	NA
Dehydroeburicoic acid monoacetate	1.8568	1.9652	1.9663	NA	0.0523	0.0578	0.1017	NA
Dehydroeffusol	2.1383	1.2313	0.5683	NA	0.5993	0.4116	1.0512	NA
Dehydroepiandrosterone	1.1832	1.1890	1.3297	NA	0.8101	0.6850	0.8031	NA
dehydrohistidyltryptophyldiketopiperazine	1.5571	1.6683	2.5525	NA	0.0460	0.0903	0.0858	NA
Dehydrooreadone	1.1077	1.0894	1.1552	NA	0.8327	0.9582	0.8568	NA
Dehydropachymic acid	1.8955	1.9955	1.9780	NA	0.0519	0.0401	0.0390	NA
Dehydrophthalocyanine	1.0684	0.7632	0.8722	NA	1.0693	1.0526	1.1743	NA
Dehydrorabelomycin	1.4300	1.0616	1.3786	NA	0.5257	0.4010	1.2031	NA
Dehydrotumulosic acid	1.9176	1.5733	1.6157	NA	0.3332	0.2426	0.3177	NA
Deisobutyryl bakkenolide H	0.2364	1.8265	0.6967	NA	2.0024	0.5246	0.7134	NA
Delbine	1.0328	0.9459	0.6555	NA	1.1411	1.2966	0.9281	NA
Delta(1,7)-dafachronic acid	1.3803	1.4151	1.4701	NA	0.5685	0.6039	0.5622	NA
Demethoxycurcumin	1.4820	1.3425	0.9544	NA	0.7931	0.6846	0.7434	NA
Demethoxyencecalin	0.5259	0.9804	1.3282	NA	0.9729	1.0937	1.0988	NA
Demethylphylloquinol	1.4773	1.1577	0.7318	NA	0.9371	0.7999	0.8962	NA
Dendronobilin M	0.2090	0.3241	0.3413	NA	1.8717	1.3955	1.8584	NA
Denticulatin B	0.7031	0.6179	0.3141	NA	1.8176	0.7099	1.8374	NA
deoxycarnitine	1.4099	2.0318	0.6938	NA	0.6104	0.6497	0.6044	NA
Deoxycorticosterone sulfate	0.6064	0.6401	0.2156	NA	1.2711	1.2347	2.0321	NA
Deoxyloganin	1.2437	1.2726	1.8048	NA	0.3185	0.7102	0.6501	NA
Depdecin	0.8607	0.8169	0.6324	NA	0.9811	1.6894	1.0196	NA
depudecin	1.2895	1.2831	1.3423	NA	0.5940	0.7432	0.7479	NA
Dercitamide	1.8818	2.0135	1.6139	NA	0.1655	0.1741	0.1512	NA
D-erythro-Sphingosine	0.7332	0.8041	0.7950	NA	1.2706	1.0723	1.3248	NA
Descyclopropyl Abacavir	0.4536	0.5232	0.4130	NA	1.6494	0.9696	1.9912	NA
DG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/0:0)	1.0262	1.1469	0.7776	NA	1.1096	1.1149	0.8249	NA
DG(18:4(6Z,9Z,12Z,15Z)/18:1(9Z)/0:0)	1.4292	1.0155	1.4574	NA	0.8364	0.5611	0.7004	NA
DG(5-iso PGF2VI/16:0/0:0)	0.9762	1.0907	0.7847	NA	0.8658	1.1671	1.1155	NA
DG(i-14:0/0:0/PGE2)	0.5472	0.6135	0.5092	NA	1.4255	1.6155	1.2892	NA
Diacarnoxide C	1.1826	0.8776	0.8923	NA	0.9021	1.1523	0.9930	NA
Diacetoxy-6-gingerdiol	0.1591	0.1306	0.1304	NA	1.8587	1.7912	1.9300	NA
Diaminobutyric acid	0.1477	0.2103	2.7021	NA	1.0365	0.8112	1.0921	NA
Dianthoside	0.5245	0.3671	0.2872	NA	1.2937	1.7437	1.7838	NA
Dibenzo-p-dioxin	0.6972	0.6659	0.5440	NA	1.3591	1.2404	1.4934	NA
Dibenzothiophene-5,5-dioxide	0.8722	0.8358	0.6061	NA	1.4735	1.5149	0.6976	NA
Dibutyl maleate	0.2146	0.1514	0.1949	NA	2.2749	1.1472	2.0170	NA
Dichotomine B	0.3775	0.5566	0.4542	NA	1.3999	1.5501	1.6617	NA
Dicranenone A	0.3901	0.3625	0.3462	NA	1.7643	1.2975	1.8394	NA
Dicranin	0.8697	1.0713	0.6912	NA	1.1926	0.7490	1.4263	NA
Dictyoquinazol C	1.6808	2.0707	1.8940	NA	0.1164	0.0762	0.1618	NA
Difloxacin	1.2342	2.0744	1.3256	NA	0.4680	0.4351	0.4626	NA
Digitoxin	1.6367	2.1763	2.1784	NA	0.0018	0.0036	0.0032	NA
(+/-)-Dihydroactinidiolide	0.9208	2.2426	1.2560	NA	0.4368	0.6321	0.5117	NA
Dihydroalbocycline	0.4015	0.5573	0.4741	NA	1.4874	1.3936	1.6861	NA
Dihydroalprenolol	1.3229	0.8608	1.4379	NA	0.9220	1.0576	0.3989	NA
Dihydroartemisinin	0.2351	0.2486	0.3028	NA	2.3039	1.1118	1.7978	NA
Dihydrocitrinone	0.2370	0.2979	0.2437	NA	2.1379	1.7152	1.3683	NA
Dihydrofusarubin	1.8193	1.9208	2.2266	NA	0.0126	0.0113	0.0095	NA
Dihydrokaempferol	0.9698	0.6538	0.8731	NA	1.5262	1.0546	0.9225	NA
Dihydromethysticin	0.6361	0.8769	0.6755	NA	1.3402	1.2279	1.2434	NA
Dihydropalutropone	0.6434	0.7176	0.7519	NA	1.3166	1.0478	1.5226	NA
Dilatrin	0.3857	0.2469	0.3264	NA	0.7778	1.7652	2.4980	NA
Dimethyl Citric acid	1.3152	1.0871	1.0846	NA	0.7638	0.6765	1.0729	NA
Dimethylglycine	0.9770	1.0750	1.0514	NA	1.1482	0.8933	0.8552	NA
Dinactin	1.6056	1.6649	1.5283	NA	0.2368	0.7028	0.2616	NA
Di-n-decyl phthalate	0.7240	0.7814	0.7352	NA	1.0356	1.4423	1.2815	NA
Dinex	1.2509	1.7973	1.9795	NA	0.2324	0.4763	0.2635	NA
Dinor-PGD2	0.4016	0.3759	0.2729	NA	1.3066	1.4705	2.1724	NA
Dioctyl Phthalate	1.6012	1.7775	2.0566	NA	0.1735	0.2143	0.1770	NA
Diosmetin-7-O-beta-D-glucopyranoside	2.4395	1.7049	1.7136	NA	0.0428	0.0595	0.0397	NA
Discadenine	0.5438	0.5220	0.5113	NA	1.5384	1.2385	1.6460	NA
Dithiobiuret	1.2989	1.3089	1.5257	NA	0.5615	0.5800	0.7250	NA
DL-Leucyl-DL-phenylalanine	1.2145	0.8543	0.7514	NA	1.1209	1.2496	0.8093	NA
DL-Mevalonic acid	1.8555	1.6522	1.9934	NA	0.0519	0.2391	0.2078	NA
D-(+)-Melezitose	0.0590	0.0818	0.0607	NA	2.6650	1.6172	1.5163	NA
D-Myoinositol 4-phosphate	0.4474	0.5448	0.3338	NA	1.7343	1.2639	1.6758	NA
Docosanamide	1.0309	0.9369	1.0406	NA	1.3397	0.9351	0.7168	NA
D-Octopine	0.7057	0.6490	0.7874	NA	0.9574	1.7538	1.1466	NA
Dodecanamide	0.9676	1.1122	0.9074	NA	1.1109	0.9365	0.9654	NA
Donaxaridine	1.6301	1.3300	0.8706	NA	0.7523	0.8470	0.5699	NA
dopaol beta-D-glucoside	2.1162	1.5939	1.7785	NA	0.1663	0.2926	0.0526	NA
D-Pinitol	0.1009	0.1892	0.0514	NA	2.3517	1.9923	1.3144	NA
Drometrizole	1.2011	1.5725	2.2216	NA	0.1811	0.2774	0.5464	NA
Droserone	0.9734	0.9451	0.9835	NA	1.0322	1.0390	1.0268	NA
DTrE	1.0751	1.5728	1.0463	NA	0.7480	0.7363	0.8215	NA
Dulciol D	0.9923	0.7890	0.6970	NA	1.0356	1.5131	0.9730	NA
Dysinosin D	1.2724	1.3743	1.7592	NA	0.5208	0.3509	0.7225	NA
(E)-2-(3,7-Dimethyl-2,6-octadienyl)-4(1H)-quinolinone	0.4877	0.4633	0.3563	NA	1.4916	1.5610	1.6402	NA
(E)-3,7-Dimethyl-1-(2-methylpropoxy)-2,6-octadiene	1.0108	0.9765	0.8579	NA	1.1470	1.0098	0.9980	NA
(E)-4-Hexen-1-ol	1.1274	1.1513	1.1431	NA	1.1716	0.7516	0.6549	NA
Echinocystic acid 28-O-beta-D-glucoside	1.6452	2.3643	1.6902	NA	0.0750	0.0695	0.1558	NA
Ecliptasaponin A	1.8209	1.7879	2.0632	NA	0.1043	0.0938	0.1299	NA
Ecliptasaponin D	1.4654	2.0753	1.3437	NA	0.4930	0.3419	0.2806	NA
(E,E,E)-2,6,10,14-Tetramethyl-3,6,10,15-hexadecatetraene-2,14-diol	1.7388	2.1477	2.0284	NA	0.0211	0.0234	0.0407	NA
(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol	1.5471	2.2615	1.7757	NA	0.1437	0.1128	0.1591	NA
Eicosanedioic acid	1.4966	1.3488	1.8537	NA	0.4165	0.4352	0.4492	NA
Elaeokanine C	0.6510	0.6016	0.7482	NA	1.3624	1.3118	1.3249	NA
Embelin	0.3015	0.4486	0.2985	NA	1.5884	1.9724	1.3906	NA
Emodin	0.8315	0.5801	1.5264	NA	1.4930	0.9385	0.6306	NA
(E)-Nerolidol acetate	0.7228	0.8121	0.7414	NA	1.4161	1.1012	1.2065	NA
Enfumafungin	0.3080	0.0494	0.0683	NA	1.9771	2.0721	1.5252	NA
ent-Alpinnanin B	1.1639	1.1394	1.1986	NA	0.9849	0.8805	0.6326	NA
Epiandrosterone	1.0095	1.0451	1.0872	NA	0.8516	1.0575	0.9491	NA
EPIISOPILOTURINE	1.8143	1.7869	1.8865	NA	0.1402	0.1704	0.2018	NA
(+)-Epilupinine-N-oxide	0.9864	0.8999	0.7548	NA	1.1045	1.0011	1.2533	NA
Epoxymicheliolide	1.8714	2.1927	1.3444	NA	0.1656	0.2004	0.2255	NA
Eremofortin E	0.4851	0.5615	0.3411	NA	1.7971	1.7676	1.0476	NA
Ergosta-4,6,8(14),22-tetraen-3-one	1.9154	2.0291	1.9266	NA	0.0200	0.0593	0.0496	NA
Erosnin	1.9767	1.9120	1.4301	NA	0.1479	0.1463	0.3870	NA
Erucifoline	0.5245	1.1743	0.8606	NA	1.2297	1.4189	0.7921	NA
Ervahanine A	1.2962	2.5546	1.9599	NA	0.0467	0.0516	0.0909	NA
Erypoegin H	0.5309	0.3771	0.6465	NA	1.7161	1.3087	1.4208	NA
Erythro-5-hydroxy-L-lysinium(1+)	1.1669	1.0114	0.8451	NA	1.1951	0.8173	0.9642	NA
Erythrophloin E	2.5035	1.5720	1.8228	NA	0.0509	0.0067	0.0441	NA
Erythroxyloside B	1.9022	1.1627	1.1022	NA	0.5356	0.4651	0.8322	NA
Esculin	1.8884	1.8596	1.8166	NA	0.0870	0.1785	0.1699	NA
Estradiol 17beta-cyclopentylpropionate	1.9105	1.6808	2.3476	NA	0.0068	0.0336	0.0207	NA
Estrane	0.9707	0.9924	0.8932	NA	1.0947	1.0470	1.0020	NA
(Ethoxymethyl)benzene	0.8109	0.6285	0.6178	NA	1.2972	1.2569	1.3887	NA
Ethyl 3-(methylthio)butanoate	1.4116	1.1416	1.3938	NA	0.7157	0.7332	0.6040	NA
Ethyl 3-(methylthio)propionate	2.0453	1.8064	1.9551	NA	0.0664	0.0803	0.0466	NA
Ethylbenzene	0.9543	0.9489	0.9076	NA	1.1374	1.0701	0.9818	NA
Ethyl gallate	0.1044	0.2816	0.1884	NA	1.9636	1.6573	1.8047	NA
Ethyl linolenate	1.8232	1.2787	2.0210	NA	0.1590	0.2656	0.4524	NA
Ethyl pivaloylacetate	0.2350	0.2751	0.2457	NA	1.6436	1.2823	2.3183	NA
Etimizol	1.4239	1.9628	2.1043	NA	0.1625	0.1516	0.1949	NA
Etofylline	1.3648	1.1874	1.1951	NA	0.7937	0.7106	0.7483	NA
Eupatorin	0.0456	0.0410	0.0698	NA	1.1110	1.7040	3.0286	NA
Eupomatenoid 3	0.8146	1.1507	0.9242	NA	0.9725	1.1157	1.0223	NA
Evodiamine	1.6581	1.2377	1.6224	NA	0.4806	0.4801	0.5210	NA
(E,Z)-2,4-Dodecadiene	1.0152	1.0431	1.5003	NA	0.7920	0.7796	0.8698	NA
(E/Z)-Ginkgolic acid C17:2	1.0967	2.8138	1.5519	NA	0.1834	0.1367	0.2174	NA
Fabianine	1.8604	1.6754	2.2258	NA	0.0880	0.0689	0.0816	NA
Falcarinol	0.9609	1.0714	0.9080	NA	1.1396	0.6279	1.2922	NA
Farnesyl acetate	0.8498	0.9630	1.0411	NA	1.0694	1.0194	1.0573	NA
Ferutinin	2.6657	1.8080	1.1513	NA	0.0515	0.1059	0.2177	NA
Ficiolide E	0.9720	1.1577	1.0200	NA	1.0703	0.8687	0.9114	NA
Ficuseptamine A	1.0477	0.9462	1.1071	NA	1.3342	0.7747	0.7900	NA
Firocoxib	0.7908	0.7924	0.6037	NA	1.2342	1.6347	0.9442	NA
Flavaprin	2.4031	1.4902	1.3052	NA	0.2457	0.2240	0.3318	NA
Flucytosine	1.3987	1.2727	1.2811	NA	0.7241	0.6353	0.6881	NA
Flumezapine	0.5237	1.1993	1.0063	NA	1.0610	1.0444	1.1652	NA
Flunarizine	2.3476	1.4891	1.1748	NA	0.3343	0.4209	0.2332	NA
Flurogestone acetate	0.2063	0.2178	0.3831	NA	2.0365	1.8027	1.3536	NA
Fomecin B	1.1978	1.3051	1.3397	NA	0.7326	0.7192	0.7056	NA
Fomlactone A	0.3432	0.3938	0.4122	NA	1.5180	1.6447	1.6882	NA
Food orange 7	1.9247	1.9992	2.0666	NA	0.0038	0.0033	0.0023	NA
Formononetin 7-O-glucoside-6^^-O-malonate	0.0468	0.0531	0.0296	NA	2.5155	1.8611	1.4939	NA
Foveolin A	0.7052	0.5396	0.6401	NA	1.4719	1.3532	1.2900	NA
Framycetin	1.2347	1.8474	2.7898	NA	0.0327	0.0343	0.0610	NA
Fraxetin	2.1248	1.5095	1.6407	NA	0.2915	0.2243	0.2091	NA
Fraxinellone	2.0245	2.3923	0.9786	NA	0.1884	0.1807	0.2354	NA
Fucosterol	0.7459	0.7977	0.8696	NA	1.1316	0.9379	1.5172	NA
Fumagillol	0.0632	0.0669	0.0816	NA	0.2424	4.9262	0.6196	NA
Galactitol 1-phosphate	1.8757	2.0436	1.9239	NA	0.0526	0.0444	0.0599	NA
Gama-glutamylalanine	1.2908	0.9885	0.9990	NA	0.9172	1.0696	0.7349	NA
gamma-Eudesmol 11-alpha-L-rhamnoside	0.4800	0.5598	0.4929	NA	1.2738	1.2735	1.9200	NA
gamma-Glutamylaspartic acid	0.7312	0.5940	0.5288	NA	1.3472	1.4538	1.3450	NA
gamma-Glutamyldopa	0.4931	0.5476	0.4992	NA	1.3228	1.4819	1.6554	NA
gamma-glutamylglutamate	0.6621	0.9237	0.7707	NA	1.3178	1.1205	1.2052	NA
gamma-Glutamylhydroxyproline	0.6749	0.8989	0.6497	NA	1.0550	1.2867	1.4348	NA
gamma-Glutamylmethionine	0.7709	0.3234	0.2016	NA	1.7303	1.9172	1.0565	NA
gamma-Glutamylphenylalanine	1.2638	0.9113	0.8072	NA	1.0122	1.2340	0.7715	NA
gamma-Glutamyltyrosine	1.1562	0.6804	0.6093	NA	1.2594	1.4658	0.8289	NA
gamma-L-Glutamyl-S-(1-propenyl)-cysteine sulfoxide	1.6600	1.5564	1.4569	NA	0.3822	0.4866	0.4579	NA
gamma-Terpinene	1.5773	1.5333	2.0352	NA	0.3208	0.2571	0.2762	NA
Ganoderal A	2.2227	1.3010	1.9106	NA	0.0942	0.1046	0.3669	NA
Ganoderenic acid B	0.2601	0.5092	0.5463	NA	0.7999	2.7855	1.0990	NA
Ganoderic acid DM	0.3271	0.2644	0.2033	NA	0.3557	1.7791	3.0704	NA
Ganoderic acid G	1.4086	1.4989	1.7817	NA	0.3578	0.4138	0.5392	NA
Ganoderic acid W	1.6543	1.4294	1.7183	NA	0.3886	0.3825	0.4268	NA
Ganoderiol F	0.2165	0.1796	0.1711	NA	1.7155	1.8889	1.8283	NA
Ganoderol B	0.0680	0.0609	0.0521	NA	1.1530	2.8700	1.7959	NA
Garcinia acid	1.3127	1.3065	1.2127	NA	0.7256	0.6925	0.7500	NA
Garcinielliptone FA	1.5397	2.0341	1.5456	NA	0.3963	0.2524	0.2318	NA
Geijeren	1.4325	1.5203	1.4767	NA	0.5672	0.4209	0.5824	NA
Gelsemide	1.0197	1.0022	0.9605	NA	0.8758	1.0040	1.1378	NA
Gemopatrilat	1.2795	0.9521	1.0760	NA	0.8734	0.8598	0.9592	NA
Genipin	1.2153	0.8196	0.5895	NA	1.0016	1.2581	1.1157	NA
Gentiascabraside A	0.8474	0.7304	0.4409	NA	1.1087	1.7470	1.1256	NA
Geran-8-YL geran	1.6039	2.3096	1.8110	NA	0.0913	0.0995	0.0848	NA
Geranylacetone	1.9031	1.8854	1.9339	NA	0.0896	0.0865	0.1015	NA
Geranylcitronellol	1.5617	2.4902	1.7499	NA	0.0503	0.0428	0.1051	NA
Geranylgeraniol	1.0629	0.9476	1.0713	NA	1.0355	1.0036	0.8790	NA
Gerfelin	1.9283	1.9511	1.9401	NA	0.0625	0.0441	0.0739	NA
Germacrone	0.6809	0.6829	0.5077	NA	1.2897	1.3775	1.4613	NA
Gigasol	1.0513	1.4292	1.6175	NA	0.7787	0.7136	0.4097	NA
Ginkgetin	0.9670	0.2511	3.8206	NA	0.3464	0.4012	0.2137	NA
Ginkgolide C	1.6790	1.5966	2.2250	NA	0.0896	0.1348	0.2750	NA
Ginsenoside Rg6	1.0841	1.0960	2.2625	NA	0.6225	0.5522	0.3827	NA
Ginsenoside Ro	0.3348	0.2482	0.1983	NA	1.6010	2.0004	1.6172	NA
Gitoxin	1.6898	2.2434	1.9621	NA	0.0269	0.0594	0.0184	NA
Glaucarubin	2.0370	1.8126	1.8074	NA	0.0419	0.1336	0.1675	NA
Gliocladic acid	0.5624	0.5125	0.6236	NA	1.6037	1.0281	1.6697	NA
Gln Leu Leu	1.4846	0.9676	0.8652	NA	1.0756	1.0087	0.5982	NA
Gln Leu Phe	1.0928	0.9807	0.7823	NA	1.1542	1.1927	0.7973	NA
Gln Leu Val	1.3141	1.0141	1.1456	NA	0.6798	1.1110	0.7354	NA
Glucosamine	1.2339	1.2723	1.4159	NA	0.8009	0.6215	0.6555	NA
Glucovanillin	2.8888	1.1319	1.7165	NA	0.0874	0.0808	0.0947	NA
Glu Glu Ile	1.0625	0.7932	0.6472	NA	1.2240	1.4566	0.8166	NA
Glu-Gly	1.4595	0.8836	1.0765	NA	1.1238	0.8804	0.5762	NA
Glu Ile Ile	0.9447	0.7666	0.5736	NA	1.2596	1.5170	0.9385	NA
Glu Leu	1.0166	0.7233	0.5424	NA	1.2473	1.5174	0.9530	NA
Glu-Leu-Phe-Ala	1.7110	1.4660	1.6816	NA	0.5244	0.3232	0.2938	NA
Glutaminylasparagine	0.4068	0.4168	0.4511	NA	1.5177	1.7104	1.4973	NA
Glutaminylhydroxyproline	0.3768	0.2532	0.2155	NA	1.3684	1.7957	1.9905	NA
Glutamylarginine	1.2434	0.9000	0.6716	NA	1.0796	1.3244	0.7810	NA
Glutamylaspartic acid	0.5543	0.4710	0.4205	NA	1.5249	1.5465	1.4828	NA
Glutamylthreonine	0.6050	0.4587	0.4363	NA	1.3113	1.7918	1.3969	NA
Glutamyltyrosine	1.2587	0.8894	0.8814	NA	0.9336	1.2655	0.7714	NA
Glutarate	1.1732	1.4529	1.5601	NA	0.6487	0.5268	0.6383	NA
Glutathione	0.5085	1.9643	2.8082	NA	0.1093	0.3112	0.2985	NA
Glu Trp Val	1.6312	1.5877	2.6377	NA	0.0580	0.0405	0.0449	NA
Glu Val Ile	1.5145	0.9024	0.7254	NA	1.0474	1.2581	0.5522	NA
Gly Arg Tyr	1.7697	1.3382	1.6635	NA	0.2396	0.4012	0.5878	NA
Glyasperin H	0.7195	0.8547	0.6775	NA	1.3113	1.1881	1.2488	NA
Glycerol glutamate	1.1184	1.1156	0.9772	NA	0.8170	1.2062	0.7657	NA
Glycerylmonooleate	0.0306	0.1008	0.0207	NA	1.8966	1.5646	2.3867	NA
Glycidyl stearate	1.1908	0.7432	1.0579	NA	1.2589	1.0483	0.7009	NA
Glycine glutamate	0.5390	0.4757	0.4763	NA	1.6861	1.4324	1.3906	NA
Glycylhydroxyproline	1.2961	0.7958	0.7394	NA	1.0631	1.5258	0.5797	NA
Glycyl-L-leucine	1.3310	0.9173	0.7573	NA	1.0818	1.1770	0.7356	NA
Glycylproline	0.9740	0.9233	1.1269	NA	1.0057	0.9709	0.9991	NA
Glycyrrhetic acid 3-O-beta-D-glucuronide	2.0700	1.6309	1.9393	NA	0.1167	0.1149	0.1282	NA
Glycyrrhizic Acid	1.6487	2.2763	0.6816	NA	0.2834	0.4747	0.6352	NA
Gly Phe Ile	1.4479	0.8139	0.8237	NA	0.7220	1.5373	0.6553	NA
(+)-Goniopypyrone	0.5257	0.4794	0.4506	NA	1.4611	1.5921	1.4910	NA
Goniothalesdiol A	0.6199	0.7662	0.7201	NA	1.4598	1.1972	1.2370	NA
Goyaglycoside a	1.5066	1.6415	1.6850	NA	0.4336	0.3938	0.3393	NA
Guaiazulene	0.9895	0.9696	1.1796	NA	0.6264	0.5531	1.6819	NA
Guanabenz	1.4560	1.4938	1.3933	NA	0.5375	0.5291	0.5903	NA
Guanadrel	0.1531	0.2801	0.2436	NA	0.9779	1.1353	3.2099	NA
Guanethidine	0.0050	0.0080	0.0081	NA	1.4257	1.0843	3.4688	NA
guanidinosuccinate	0.8728	1.0611	1.3106	NA	0.5269	1.0467	1.1818	NA
Guanidoacetic acid	1.6646	1.3881	1.2186	NA	0.4512	0.7005	0.5770	NA
guanine	1.0793	1.3048	0.7799	NA	1.0752	1.0304	0.7305	NA
Guavacoumaric acid	1.5614	1.7012	1.7463	NA	0.4231	0.3497	0.2181	NA
Gymnasterone C	1.3573	1.1454	1.2951	NA	0.7844	0.9704	0.4474	NA
Gymnemagenin	0.0676	0.0818	0.0725	NA	1.1130	3.1543	1.5107	NA
Gypsogenin	1.7446	1.3395	1.6502	NA	0.6600	0.3215	0.2843	NA
Halaminol C	0.9790	1.0243	0.9096	NA	1.0981	1.0165	0.9725	NA
Halisphingosine A	0.7289	0.9605	0.6975	NA	1.0209	1.3086	1.2836	NA
Hapalindole G	0.2539	0.1731	0.3548	NA	1.5000	1.6964	2.0217	NA
Haplophytine	1.4675	1.8914	2.5620	NA	0.0257	0.0253	0.0282	NA
Haploside A	1.4625	1.1443	1.5468	NA	0.8291	0.4543	0.5629	NA
Harmalol	0.9777	1.3236	1.0974	NA	0.6528	0.6951	1.2533	NA
Harmol	0.5805	0.6195	0.6689	NA	1.5509	1.4565	1.1237	NA
H-D-Tyr-val-gly-OH	1.2271	0.8799	0.5973	NA	1.1970	1.3336	0.7651	NA
Helicin	1.9561	1.9811	1.8991	NA	0.0322	0.0814	0.0501	NA
Heptadecatrienal	0.4340	0.4641	0.3532	NA	1.4309	1.2879	2.0299	NA
Heptane-1-thiol	1.0670	1.1064	0.7489	NA	1.0964	1.2421	0.7391	NA
Heptulose	1.5786	1.4285	1.1165	NA	0.7230	0.4971	0.6563	NA
Herbimycin B	1.6388	1.7417	2.3913	NA	0.1261	0.0379	0.0641	NA
Herkesterone	1.0925	1.7361	1.4917	NA	0.5960	0.5653	0.5184	NA
hesperadin	0.5679	0.4112	0.6801	NA	1.3980	1.4862	1.4565	NA
Hesperetin 7-O-glucoside	0.6305	0.3783	0.4958	NA	1.5887	1.5192	1.3874	NA
Heteroplexisolide E	1.0869	1.0814	1.3853	NA	0.8847	0.7100	0.8516	NA
Hexadecanoylpyrrolidine	1.0907	1.0579	1.0524	NA	0.8810	0.9181	0.9998	NA
Hexaethylene glycol	0.7022	0.8439	0.4697	NA	1.5278	1.4096	1.0468	NA
Hexahydrocurcumin	1.5699	2.1342	1.6633	NA	0.2102	0.2396	0.1828	NA
Hexosylsphingosine	0.3811	0.2802	0.3621	NA	0.7913	1.6335	2.5518	NA
Hex-trans-3-en-1-ol	1.5808	0.9877	1.2619	NA	0.7768	0.8008	0.5920	NA
H-Glu-Lys-OH	1.4954	1.0069	0.9606	NA	0.9206	0.9381	0.6784	NA
H-GLU-VAL-OH	1.0284	0.7543	0.5640	NA	1.2947	1.4238	0.9348	NA
H-Ile-Gln-OH	1.2382	0.8279	0.7122	NA	1.1609	1.2514	0.8094	NA
H-ILE-TRP-OH	1.2033	0.7585	0.6360	NA	1.2279	1.3481	0.8263	NA
H-Ile-Tyr-OH	1.0691	0.8327	0.7379	NA	1.2438	1.2782	0.8384	NA
hinokitiol	0.9898	1.1060	1.5356	NA	0.8851	0.6553	0.8281	NA
Hippeastidine	1.9896	0.7266	1.1126	NA	0.7412	0.9277	0.5024	NA
Hirsutin	1.3618	1.5672	1.4608	NA	0.5404	0.5814	0.4885	NA
His Ala Gln	0.5712	0.4264	0.4708	NA	1.5113	1.3038	1.7166	NA
His Gln Gly	0.1482	0.1221	0.1435	NA	1.8349	1.5589	2.1924	NA
His Glu Asn	1.5630	1.4261	1.1055	NA	1.4748	0.2100	0.2205	NA
His His Lys	0.4150	0.6215	0.7380	NA	1.4182	0.9211	1.8861	NA
His Ile	0.9868	0.8739	0.6632	NA	1.2168	1.3644	0.8950	NA
His Ile Asn	1.0978	1.2291	1.1678	NA	0.9583	0.7857	0.7614	NA
His Leu Gln	0.3169	0.3005	0.3476	NA	1.5134	1.2277	2.2939	NA
His Lys Leu	0.1133	0.1407	0.0565	NA	1.6083	2.0812	1.9999	NA
His Phe	0.8688	0.7466	0.5759	NA	1.4078	1.3654	1.0354	NA
Hispidol	0.9115	1.0401	0.8663	NA	0.9742	1.0173	1.1906	NA
Hispolon	0.5922	0.5858	0.4330	NA	1.3827	1.6216	1.3846	NA
His-Pro	1.6994	1.5208	2.5063	NA	0.0990	0.1419	0.0325	NA
Histamine	1.6347	2.1278	1.7820	NA	0.1561	0.1598	0.1397	NA
His Val Leu	0.6531	0.6057	0.3838	NA	1.4612	1.8203	1.0760	NA
H-Leu-Asn-OH	1.2137	0.8565	0.7371	NA	1.1267	1.2431	0.8229	NA
H-Leu-Glu-OH	1.0679	0.5724	0.9942	NA	1.5132	0.9312	0.9210	NA
H-LEU-LEU-ALA-OH	1.4621	0.9536	0.9352	NA	0.8324	1.1803	0.6364	NA
H-MET-MET-OH	0.9329	0.9421	0.9721	NA	1.0167	1.0287	1.1074	NA
homoarginine	0.8378	0.9170	1.0152	NA	0.9465	0.9996	1.2839	NA
Hormodirene	0.6898	1.1119	1.0401	NA	1.1401	0.9393	1.0789	NA
H-PRO-ALA-OH	0.6682	0.8132	1.0463	NA	1.3252	0.8926	1.2546	NA
H-Ser-Tyr-OH	1.4979	1.3491	0.8587	NA	0.8076	0.8880	0.5988	NA
H-Thr-Phe-OH	1.3562	0.8887	0.7966	NA	1.0554	1.1818	0.7213	NA
H-TRP-ALA-OH	1.1236	0.7538	0.5760	NA	1.2477	1.3849	0.9141	NA
H-TRP-ASP-OH	0.7563	0.4081	0.3553	NA	1.4984	1.9470	1.0349	NA
H-TYR-GLN-OH	1.2238	0.9172	0.9101	NA	0.9611	1.1527	0.8351	NA
Huperzine W	1.8009	1.4320	1.8444	NA	0.3794	0.2234	0.3198	NA
H-Val-Met-OH	0.2730	0.1614	0.1136	NA	2.0953	1.9158	1.4409	NA
H-Val-Tyr-OH	1.2663	0.9049	0.7614	NA	1.0973	1.1884	0.7817	NA
Hyacinthacine C1	1.5635	1.7713	1.6189	NA	0.2384	0.4680	0.3398	NA
Hydratoperidinin	1.2267	2.2496	1.9485	NA	0.1866	0.1837	0.2049	NA
Hydroxyethylflurazepam	1.2147	1.7380	1.8544	NA	0.3938	0.3833	0.4158	NA
Hydroxymatairesinol	0.7283	0.4936	0.5313	NA	1.2849	1.7216	1.2405	NA
Hydroxyprolyl-Arginine	1.5692	1.1469	1.2862	NA	0.6463	0.8598	0.4916	NA
Hydroxyprolyl-Asparagine	1.6375	1.3247	1.6101	NA	0.3735	0.5984	0.4558	NA
Hydroxyprolyl-Valine	0.2487	0.1724	0.2554	NA	1.9639	1.9176	1.4419	NA
Hydroxysintaxanthin 5,6-epoxide	0.9710	0.4281	1.0350	NA	0.9505	1.0214	1.5940	NA
Hydroxytyrosol	1.5466	1.4373	1.4649	NA	0.5057	0.5042	0.5413	NA
Hynapene A	0.3882	0.4143	0.5347	NA	2.1141	1.2002	1.3485	NA
Hypusine	1.3931	1.4730	1.6380	NA	0.3525	0.5147	0.6287	NA
Ile Ile	1.2154	0.7933	0.6612	NA	1.1938	1.2882	0.8482	NA
Ile Ile Ser	1.2971	0.9350	0.8349	NA	1.0290	1.2277	0.6764	NA
Ilekudinol A	1.6668	1.6585	1.8086	NA	0.2426	0.3360	0.2876	NA
Ilekudinoside J	1.1422	0.9052	0.8349	NA	0.6323	1.4719	1.0134	NA
Ilekudinoside K	1.9238	1.6095	1.9676	NA	0.1232	0.1362	0.2398	NA
Ile Leu Leu	1.1828	0.8708	0.8642	NA	1.0753	1.1979	0.8090	NA
Ile Pro Val	1.7451	1.0351	0.7468	NA	0.8955	1.0991	0.4784	NA
Ile Ser Val	1.3368	0.8189	0.6907	NA	1.1384	1.2843	0.7310	NA
Ile Val Gly	1.3837	0.9038	0.6497	NA	0.9660	1.4556	0.6412	NA
Iminoerythrose 4-phosphate	2.1108	1.7024	1.7874	NA	0.0857	0.1562	0.1574	NA
Incensole Acetate	1.8258	1.4913	1.0454	NA	0.5459	0.5142	0.5775	NA
Indicanine C	1.8865	1.3854	1.6812	NA	0.2637	0.4031	0.3800	NA
Indocarbazostatin D	0.0139	0.0219	0.0134	NA	2.0614	2.0459	1.8435	NA
Indole-2-carboxylic acid, 5-(bis(2-chloroethyl)amino)-	1.9938	2.2804	1.6209	NA	0.0306	0.0463	0.0281	NA
Indole-3-acetyl-beta-1-D-glucoside	2.0216	1.8079	1.8771	NA	0.0521	0.0588	0.1825	NA
Indole-3-carbinol	0.6679	0.7143	0.6365	NA	1.4609	1.2601	1.2603	NA
Indole-3-carboxaldehyde	1.5721	1.4581	1.2300	NA	0.4237	0.7242	0.5919	NA
Indole-3-carboxylic acid	1.6068	1.4779	1.2757	NA	0.4169	0.6572	0.5656	NA
Indoleacrylic acid	1.6251	1.4133	1.2107	NA	0.4387	0.7143	0.5980	NA
Indolelactic acid	1.5885	1.4196	1.2224	NA	0.4484	0.7266	0.5945	NA
Indospicine	1.2717	1.4058	1.6801	NA	0.4745	0.7606	0.4073	NA
Integracin C	0.0289	0.0486	0.0820	NA	1.7265	2.5054	1.6086	NA
Ionene	0.8792	0.7482	0.7044	NA	1.0589	1.0386	1.5708	NA
Irbesartan	1.2384	1.9725	1.4029	NA	0.1779	0.6092	0.5991	NA
Irisoquin	1.0034	1.4666	2.8629	NA	0.2592	0.1812	0.2268	NA
Isoalantolactone	1.6074	1.4490	1.8789	NA	0.3460	0.2784	0.4404	NA
Isoastragaloside I	0.0666	0.1107	0.0773	NA	2.1523	1.8487	1.7444	NA
Isoastragaloside II	0.0231	0.0055	0.0183	NA	2.0942	2.0350	1.8240	NA
Isobiflorin	1.8537	1.4391	1.7364	NA	0.2339	0.3773	0.3596	NA
Isocurcumenol	1.3547	1.0842	1.4278	NA	0.5426	0.4321	1.1585	NA
Isoeleutherin	0.1119	0.1560	0.1472	NA	1.9491	1.2813	2.3546	NA
Isoferuloyl C1-glucuronide	0.0757	0.0824	0.0846	NA	1.9983	1.9767	1.7822	NA
Isoiguesterol	1.6312	1.9397	2.2153	NA	0.0562	0.0818	0.0758	NA
Isoleucyl-Threonine	1.0743	0.7532	1.0025	NA	1.3044	1.1937	0.6719	NA
Isoliquiritigenin	0.6567	0.4605	0.6378	NA	1.5955	0.8987	1.7508	NA
Isoliquiritin apioside	0.1533	0.2311	0.1551	NA	1.7483	1.7611	1.9512	NA
Isomucronulatol	1.0673	0.9089	1.3121	NA	0.3808	0.4593	1.8715	NA
Isopropalin	1.4828	1.2581	1.3188	NA	0.5150	0.6236	0.8017	NA
Isorhamnetin	2.4286	1.9898	0.9796	NA	0.2281	0.1797	0.1942	NA
Isorhamnetin 3-(6^^-malonylglucoside)	2.4606	2.3133	1.1533	NA	0.0224	0.0253	0.0252	NA
Isoscoparin 2^^-O-ferulate	1.2399	2.0528	2.0031	NA	0.2240	0.2154	0.2648	NA
isovitexin 7-O-[isoferuloyl]-glucoside	1.7405	1.8893	2.3527	NA	0.0074	0.0052	0.0049	NA
Isovouacapenol C	1.5721	1.0105	2.2203	NA	0.1371	0.3027	0.7573	NA
(-)-Ixerin J	1.3016	1.3381	1.7124	NA	0.4937	0.5421	0.6121	NA
Jasmone	0.9610	1.0859	1.0273	NA	1.0310	0.9749	0.9199	NA
Jasmonic acid	0.2365	0.2992	0.2254	NA	2.0355	1.2876	1.9159	NA
Jayantinin	0.1623	0.3477	0.3917	NA	1.7530	1.5762	1.7692	NA
Jujuboside B	1.4288	1.5567	1.5980	NA	0.3476	0.2917	0.7772	NA
Juvenile hormone III	0.8697	0.6940	0.5496	NA	1.3654	0.9125	1.6088	NA
Kadsuphilol L	1.6186	1.9591	1.7614	NA	0.2144	0.2111	0.2355	NA
Kaempferol 3-(2^^-feruloylglucosyl)-(1->2)-(6^^-malonylglucoside)	2.3649	2.0934	1.4695	NA	0.0157	0.0353	0.0213	NA
Kaempferol 3-(6^^-caffeoylglucosyl)-(1->4)-rhamnoside	1.7354	1.7516	2.4959	NA	0.0034	0.0032	0.0105	NA
Kaempferol 3-(6^^-(E)-feruloylglucosyl)-(1->2)-galactoside	1.8387	1.8682	1.6825	NA	0.1561	0.1637	0.2908	NA
Kaempferol 3-(6^^-ferulylglucoside)	1.6513	1.6314	1.9129	NA	0.2609	0.2569	0.2866	NA
Kaempferol 3-(6G-malonylneohesperidoside)	1.9675	1.5511	2.4492	NA	0.0054	0.0153	0.0115	NA
Kaempferol 3-(6^^-malonylglucoside)-7-glucoside	1.9712	1.2542	1.6440	NA	0.4434	0.3287	0.3585	NA
Kaempferol 3-caffeylsophoroside	1.9332	1.4342	1.5948	NA	0.3367	0.3314	0.3697	NA
Kaempferol-3-O-glucoside	2.0150	1.7148	2.2491	NA	0.0042	0.0076	0.0094	NA
Kaempferol 3-rhamnosyl-(1->6)(2^^-p-coumarylglucoside)	1.9004	1.9846	2.0706	NA	0.0162	0.0107	0.0175	NA
Kaempferol 4^-rhamnoside	2.1211	1.7177	1.7301	NA	0.1102	0.1156	0.2053	NA
Kaempferol-7,4^-dimethyl ether	1.2830	0.7099	0.6784	NA	0.4643	0.8847	1.9797	NA
Kaempferol 7-arabinoside	1.8345	1.4130	2.4796	NA	0.1658	0.0169	0.0901	NA
Kahakamide A	1.5768	2.5338	1.8015	NA	0.0513	0.0306	0.0061	NA
Kainic acid	1.8548	2.3662	1.6343	NA	0.0469	0.0502	0.0475	NA
Kalii Dehydrographolidi Succinas	1.7600	1.7696	1.8234	NA	0.2865	0.1376	0.2228	NA
Kanosamine 6-phosphate	2.2025	1.6170	1.5459	NA	0.1582	0.2538	0.2226	NA
Kaurane	1.1251	1.0703	1.0353	NA	0.8757	0.9040	0.9895	NA
Kermadecin G	0.9945	1.0230	0.9533	NA	0.9615	1.1461	0.9216	NA
Kifunensine	0.1738	0.2406	0.3834	NA	1.2427	2.0765	1.8831	NA
Kinabalurine G	1.0085	0.8892	0.7883	NA	1.1161	0.9519	1.2460	NA
Kinetensin 1-3	1.0092	0.8653	0.7072	NA	1.3166	1.1112	0.9905	NA
Kirenol	0.4911	0.5101	0.5907	NA	1.3435	1.3929	1.6718	NA
Kobifuranone A	1.1581	2.0918	1.9513	NA	0.2881	0.2612	0.2494	NA
Kuanoniamine D	1.7293	2.2179	1.8134	NA	0.0470	0.0963	0.0962	NA
Kuguacin F	0.5323	0.3676	0.4819	NA	1.1966	1.5646	1.8570	NA
Kukoamine B	1.6779	1.7480	1.4578	NA	0.3402	0.3142	0.4617	NA
L-2,3-Dihydrodipicolinate	0.8729	0.8792	0.9905	NA	0.9159	1.1000	1.2416	NA
L-2-aminodecanoate	1.4989	1.8835	1.5480	NA	0.1490	0.5398	0.3807	NA
labd-13-en-8alpha-,15 diol	1.6878	1.7586	1.9443	NA	0.1381	0.1684	0.3027	NA
Labienoxime	0.9749	0.9506	0.9168	NA	1.0887	1.0766	0.9924	NA
L-Acetopine	0.8760	0.7890	0.8270	NA	1.1740	1.1831	1.1510	NA
Lachnophyllum ester	1.0453	0.9754	0.8638	NA	1.2251	0.8846	1.0057	NA
Lactarazulene	1.0829	1.1045	1.2134	NA	0.9110	0.7775	0.9107	NA
Lactiflorin	0.0603	0.0720	0.0431	NA	2.2328	2.1326	1.4591	NA
Lagochilin	0.9257	1.1669	1.0261	NA	0.9890	1.0068	0.8854	NA
L-Alanyl-L-leucine	1.2574	0.8880	0.7983	NA	1.0909	1.1742	0.7912	NA
L-Alanyl-L-proline	1.1883	0.9488	0.8119	NA	0.9722	1.3514	0.7273	NA
Lamiol	0.9905	2.2685	1.5481	NA	0.5999	0.4373	0.1558	NA
Lamoxirene	1.3926	1.5462	1.3934	NA	0.5638	0.5051	0.5989	NA
Lamtidine	0.3264	0.3036	0.4226	NA	1.6714	1.5044	1.7716	NA
Lanceolatin C	0.1084	0.0628	0.0551	NA	1.7538	1.6620	2.3578	NA
L-Anticapsin	1.6944	2.0960	1.7577	NA	0.1075	0.1889	0.1555	NA
Lanyuamide I	0.6715	0.7494	0.6606	NA	1.2958	1.2633	1.3595	NA
L-Ascorbic acid	1.2595	1.4557	1.3181	NA	0.8377	0.4089	0.7201	NA
L-Ascorbic acid 2-phosphate	1.7575	1.9148	1.9656	NA	0.1249	0.1210	0.1162	NA
Lauramine oxide	1.0668	0.8527	0.8788	NA	1.1407	1.1061	0.9550	NA
Lauroyl diethanolamide	0.6474	0.6625	0.5021	NA	1.5846	1.5655	1.0379	NA
Lawsone	0.9253	0.8478	0.8565	NA	1.0786	1.2683	1.0235	NA
Lecanoric acid	1.1001	0.7531	0.7817	NA	1.1305	1.0165	1.2180	NA
Lemborexant	1.4686	0.9102	0.9034	NA	0.8850	1.0803	0.7525	NA
Leonurine	1.1249	0.9320	0.9228	NA	1.0536	1.1805	0.7863	NA
Lepidimoide	0.6698	0.7492	0.8120	NA	1.3983	1.1428	1.2278	NA
Lepidissipyrone	1.1967	1.7638	1.9667	NA	0.4006	0.3554	0.3166	NA
Leptofuranin D	0.0570	0.1497	0.1618	NA	1.8191	1.7501	2.0622	NA
LETESTUIANIN B	1.2142	1.0301	0.8818	NA	0.8203	0.8492	1.2043	NA
Leu-Ala-Gly	1.1841	0.8590	0.7097	NA	1.3479	1.1660	0.7333	NA
Leu Ala Ile	1.2642	0.9280	0.8856	NA	1.0150	1.1404	0.7669	NA
Leu Ala Lys	1.1158	0.7851	1.3562	NA	0.9843	1.0499	0.7087	NA
Leu-Asp-Gln	1.3388	0.8558	0.7021	NA	1.0640	1.1938	0.8455	NA
Leu-Asp-Gly	1.6430	1.1580	1.2314	NA	0.8481	0.6580	0.4616	NA
Leucocyanidin 4^-methylether 3-O-beta-D-galactopyranoside	1.7607	1.6112	2.2339	NA	0.1288	0.1553	0.1101	NA
Leu-Gln-Pro	0.6792	0.4955	0.4667	NA	1.4565	1.6160	1.2861	NA
Leu-Gly-Gly	1.4777	1.0107	0.9070	NA	0.9870	0.9317	0.6858	NA
Leu-Gly-Pro	1.2677	0.9422	0.9338	NA	1.0466	1.0799	0.7299	NA
Leuhistin	1.1712	0.8312	0.7065	NA	1.1559	1.2657	0.8695	NA
Leu Lys	1.8004	1.2110	1.0971	NA	0.6625	0.7702	0.4587	NA
Leu Lys Phe	1.6680	1.1895	1.0892	NA	0.7567	0.8327	0.4638	NA
Leu-Thr-Ala	1.3331	0.9614	0.9084	NA	0.9044	1.2522	0.6405	NA
Leu Val Asp	1.3424	1.0350	1.3357	NA	0.7922	0.9061	0.5886	NA
Leu-Val-Gly	1.4082	0.9389	0.7077	NA	1.1097	1.2455	0.5899	NA
Levomenol	0.9421	1.0098	0.8995	NA	1.0939	1.1036	0.9510	NA
L-Glutamic acid	1.1107	1.1232	1.2160	NA	0.9149	0.8047	0.8305	NA
L-Hexahydro-3-imino-1,2,4-oxadiazepine-3-carboxylic acid	1.9890	1.9930	1.8180	NA	0.0458	0.0615	0.0928	NA
L-Histidine	0.4975	0.7527	0.4951	NA	2.1618	1.1670	0.9258	NA
L-Histidine trimethylbetaine	1.0084	0.9044	1.0632	NA	0.9347	1.0233	1.0661	NA
Libanotic acid	0.3044	0.3026	0.1823	NA	2.1140	1.6563	1.4404	NA
Licochalcone B	1.0885	0.8743	1.4084	NA	0.8028	0.7141	1.1118	NA
Ligustrazine	0.2048	0.1815	0.4150	NA	1.7835	1.4132	2.0019	NA
Limazepine A	1.3006	1.0811	1.1479	NA	0.8289	1.0671	0.5745	NA
Limazepine D	1.6559	2.2172	2.0201	NA	0.0572	0.0070	0.0426	NA
Limonenecarboxylic acid	1.2268	1.3375	1.2282	NA	0.7263	0.8690	0.6124	NA
Linarionoside A	1.3605	1.3305	1.4519	NA	0.6025	0.5931	0.6616	NA
Lineolon	0.9441	0.6813	0.9343	NA	1.1358	1.2886	1.0159	NA
Linoleamide MEA	0.8901	1.9272	0.9942	NA	0.8205	0.6285	0.7396	NA
Linoleic acid amide	0.9334	0.9770	0.9140	NA	1.1091	1.0999	0.9666	NA
Linolenyl alcohol	1.0384	0.8821	0.9762	NA	1.1521	1.1874	0.7637	NA
L-isoleucyl-L-proline	1.2485	0.9877	0.8736	NA	0.9619	1.2686	0.6597	NA
Litsenolide C1	1.6010	1.5098	1.9009	NA	0.3145	0.3131	0.3608	NA
L-Leucine	0.8891	1.0623	0.7042	NA	1.4605	1.0940	0.7899	NA
L-Leucyl-L-Valine	1.3353	0.8589	0.6907	NA	1.1688	1.2643	0.6820	NA
L-Metanephrine	2.0278	2.2440	1.4381	NA	0.1176	0.0933	0.0793	NA
L-Norleucine	1.0061	1.0213	0.6214	NA	1.2064	1.2887	0.8560	NA
Lonchocarpene	1.6238	1.9439	2.1791	NA	0.1722	0.0127	0.0683	NA
Lotaustralin	1.3121	2.2551	1.6337	NA	0.3063	0.2881	0.2047	NA
Loxtidine	0.4636	1.0087	0.6993	NA	1.0516	1.5984	1.1784	NA
L-Phenylalanine	1.2032	1.3193	1.0111	NA	0.8615	0.9457	0.6591	NA
L-phenylalanyl-L-proline	0.7708	0.6094	0.5921	NA	1.6237	1.5537	0.8502	NA
L-Pipecolic acid	1.4623	1.1484	1.0130	NA	1.1718	0.7557	0.4489	NA
L-Proline	1.1204	2.6696	1.0812	NA	0.3734	0.4430	0.3123	NA
L-Proline, 1-(1-L-leucyl-L-prolyl)-	1.5732	1.1200	1.0693	NA	0.7198	1.0158	0.5020	NA
L-Pyrrolysine	1.6048	1.3846	1.2328	NA	0.6412	0.6790	0.4576	NA
L-Theanine	1.6529	1.2340	0.8890	NA	1.0250	0.4490	0.7500	NA
L-Threonine	0.6792	0.9051	1.1397	NA	1.2141	1.0251	1.0368	NA
L-Tryptophan	1.6252	1.4435	1.2536	NA	0.4254	0.6826	0.5696	NA
Lucyoside B	2.0376	1.7474	2.1258	NA	0.0222	0.0469	0.0201	NA
Lumazine	1.3870	1.2542	1.0165	NA	0.8319	0.7350	0.7753	NA
Lumisterol	0.7464	0.7569	0.6967	NA	0.9060	1.4751	1.4189	NA
Lurasidone	1.9021	1.6836	2.3579	NA	0.0104	0.0272	0.0188	NA
Luteolin 3^-methyl ether 7-malonylglucoside	0.5859	0.6196	0.8282	NA	1.1813	2.0691	0.7159	NA
Luteolin 4^-methyl ether 7-(6^^-malonylglucoside)	1.8796	1.7741	2.1623	NA	0.0548	0.0590	0.0702	NA
luteolin 7-O-beta-D-glucoside-4^-(Z-2-methyl-2-butenoate)	0.1295	0.1252	0.1454	NA	1.9279	1.9529	1.7191	NA
L-Xylulose	1.0304	1.3298	1.2418	NA	0.9562	1.0461	0.3957	NA
Lyratal	0.5817	0.5061	0.6644	NA	1.3927	1.2751	1.5800	NA
Lys Glu His	0.9605	0.7313	0.9095	NA	1.3095	0.7868	1.3024	NA
Lysidicichin	0.1226	0.2368	0.2716	NA	2.0042	1.9598	1.4049	NA
Lys Ile Ile	1.6142	1.0517	0.9058	NA	0.8811	1.0116	0.5356	NA
Lys Ile Met	0.5021	0.2577	0.4693	NA	1.9234	1.7260	1.1215	NA
Lys Ile Ser	1.6766	0.9033	1.0781	NA	0.8532	0.8794	0.6094	NA
Lys Leu	1.5297	1.1048	0.9595	NA	0.8596	0.8708	0.6756	NA
Lys Leu Ser	0.5718	0.1781	0.2406	NA	1.3889	1.4745	2.1460	NA
Lys-Met-Met-Met	0.7934	0.4950	0.3152	NA	1.5345	1.2093	1.6525	NA
LysoPA(i-22:0/0:0)	0.0556	0.0436	0.0397	NA	1.9480	1.8779	2.0351	NA
LysoPA(O-18:0/0:0)	2.4734	1.8576	1.4550	NA	0.0523	0.0864	0.0754	NA
LysoPC(18:2(9Z,12Z)/0:0)	1.7971	1.5135	1.5164	NA	0.2763	0.3786	0.5180	NA
LysoPE(0:0/16:0)	1.3194	1.2808	1.1577	NA	0.5866	0.7759	0.8797	NA
LysoPE(0:0/18:3(9Z,12Z,15Z))	1.9031	1.8059	1.8732	NA	0.1028	0.1244	0.1906	NA
LysoPE(20:4)	1.0524	1.5893	0.8102	NA	0.6045	1.2789	0.6648	NA
Lysopine	1.6271	1.0313	0.6787	NA	1.0370	0.9400	0.6858	NA
LysoPS(18:2(9Z,12Z)/0:0)	1.3654	1.8120	1.4861	NA	0.3196	0.4874	0.5295	NA
Lys Pro His	0.3724	0.3528	0.3984	NA	1.2773	0.8496	2.7495	NA
Lys Thr His	0.6682	0.5068	0.4734	NA	1.8024	1.2809	1.2684	NA
Lys Val His	0.3110	0.3351	0.2876	NA	1.5387	1.5434	1.9843	NA
Lys Val Leu	1.3644	1.0274	0.8085	NA	0.9761	1.1640	0.6596	NA
Lys Val Phe	2.7051	1.5055	1.7114	NA	0.0269	0.0326	0.0186	NA
Lysyl-Gamma-glutamate	0.5252	0.2993	0.6003	NA	1.7389	1.6406	1.1957	NA
Lysylphenylalanine	1.6472	1.1760	0.9018	NA	0.7968	0.8603	0.6178	NA
Lysylproline	1.5393	1.2529	1.2065	NA	0.5714	0.8122	0.6175	NA
Lysylserine	1.2452	0.8786	0.6447	NA	1.1475	1.2128	0.8712	NA
Lysylvaline	0.3274	0.2099	0.1422	NA	0.9953	0.6556	3.6696	NA
Madecassic acid	0.0638	0.0459	0.0930	NA	0.7961	2.5373	2.4639	NA
Magnolone	0.7843	0.6923	0.5582	NA	1.1240	1.3956	1.4455	NA
Mahanimbinol	1.1250	1.1795	0.9545	NA	0.7355	1.0914	0.9142	NA
Makaluvamine A	1.6905	1.4878	2.2739	NA	0.2200	0.1943	0.1335	NA
Malabaricanol	0.9983	0.9109	1.3983	NA	1.0843	0.8423	0.7660	NA
Malabaricone B	1.2332	1.0029	0.9630	NA	1.0637	0.7573	0.9800	NA
Malabaricone C	0.2815	0.2293	0.2972	NA	2.2028	1.3128	1.6764	NA
Malachite green	1.1387	1.4955	1.0658	NA	1.0203	0.7158	0.5638	NA
Malonyldaidzin	0.1584	0.1954	0.1518	NA	1.6039	1.9611	1.9295	NA
Malonylglycine	1.9911	2.2630	1.3287	NA	0.1866	0.0964	0.1342	NA
Malonylglycitin	1.4507	1.4622	1.1368	NA	0.6804	0.7733	0.4965	NA
Maltol 6^-O-beta-D-apiofuranosyl-beta-D-glucopyranoside	0.1332	0.1612	0.1592	NA	1.5449	1.8783	2.1232	NA
Manool	1.5222	1.4441	2.1153	NA	0.4069	0.1668	0.3446	NA
Mansumbinone	0.5376	0.3696	0.4093	NA	1.5739	1.5520	1.5576	NA
Markogenin	0.5975	0.9576	0.9962	NA	1.1855	1.1389	1.1243	NA
Matairesinol	1.5830	1.2737	1.0273	NA	0.6958	0.7035	0.7168	NA
Mearsine	1.3074	1.0370	1.1846	NA	0.9276	0.6780	0.8655	NA
Melamine	1.4279	1.2533	1.0867	NA	0.8675	0.6807	0.6839	NA
Melampodin B	1.9945	1.3857	2.4093	NA	0.0358	0.0747	0.1000	NA
Menthol	0.7515	0.8581	1.1673	NA	1.3104	1.0149	0.8978	NA
Merrilliortholactone	0.3540	0.2059	0.3180	NA	1.7771	1.5182	1.8267	NA
Mersicarpine	1.7033	1.6543	1.6160	NA	0.2778	0.2038	0.5448	NA
METALDEHYDE	0.7212	1.4842	0.5811	NA	0.2264	1.8383	1.1487	NA
Metallibure	0.0936	0.1078	0.0516	NA	2.3420	2.1832	1.2218	NA
METHACRYLOYL CHLORIDE	1.3287	1.2982	1.2637	NA	0.6812	0.7157	0.7125	NA
Methanethiosulfonate	1.2916	1.1526	1.0218	NA	0.8959	0.7730	0.8651	NA
Methiocarb-sulfoxide	1.0624	0.9478	0.9754	NA	0.9267	0.8697	1.2181	NA
methionine sulfoxide	0.9681	1.2362	0.8286	NA	1.0479	1.0421	0.8770	NA
Methionyl-Aspartate	1.7900	1.1064	1.1762	NA	0.6395	0.7330	0.5549	NA
Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate	0.3857	0.4523	0.2750	NA	1.4265	1.3270	2.1335	NA
Methyl 1-(2-propenylsulfinyl)propyl disulfide	1.9710	1.4445	1.1457	NA	0.3390	0.8367	0.2630	NA
Methyl 1-(methylsulfinyl)propyl disulfide	1.1212	1.2558	1.1444	NA	0.7025	0.8327	0.9435	NA
Methyl 2-(3-oxo-2-(pent-2-en-1-yl)cyclopentyl)acetate	0.1165	0.1522	0.0988	NA	2.4328	1.3367	1.8629	NA
Methyl 2-acetyltormentate	0.7792	0.9002	0.8136	NA	1.0616	1.2747	1.1707	NA
Methyl 4-O-galloylchlorogenate	0.7354	0.7681	0.7883	NA	1.0777	1.1077	1.5228	NA
Methyl [6]-paradol	0.9494	0.9451	0.9074	NA	1.3009	0.9827	0.9144	NA
Methyl (9Z)-6^-oxo-6,5^-diapocaroten-6-oate	1.1922	1.1144	1.4949	NA	0.7132	0.7021	0.7833	NA
Methyl beta-D-galactoside	0.1891	0.2454	0.2497	NA	1.9568	1.5805	1.7786	NA
Methyl dihydrojasmonate	1.5600	2.1771	2.0363	NA	0.0745	0.0652	0.0869	NA
Methylene diphosphate	1.9688	1.6571	1.3002	NA	0.3484	0.3735	0.3520	NA
Methyl linoleate	1.1427	1.2126	2.3128	NA	0.4367	0.4855	0.4096	NA
Methyl methanethiosulfonate	1.0144	1.1161	0.9707	NA	1.1044	0.8449	0.9495	NA
Methyl Nicotinate	0.0131	0.0139	0.0210	NA	2.1177	1.5697	2.2646	NA
Methylnissolin	0.0859	0.0788	0.0879	NA	2.0070	2.0656	1.6748	NA
Methyl oleanonate	1.2101	1.1822	1.7448	NA	1.0439	0.4011	0.4178	NA
Methyl Orsellinate	0.8512	0.7731	0.6426	NA	1.2045	1.1781	1.3506	NA
Methyl pheophorbide a	1.7767	2.0146	2.1919	NA	0.0054	0.0056	0.0058	NA
Methyl pheophorbide b	1.6887	1.8439	2.4419	NA	0.0081	0.0075	0.0099	NA
Methyl pyroglutamate	0.1845	0.1860	0.1913	NA	1.9465	1.9268	1.5650	NA
Methyl tumonoate A	0.2980	0.5145	0.2663	NA	1.4604	2.2517	1.2091	NA
Metomidate	1.1385	1.7412	0.8745	NA	0.6998	1.0640	0.4820	NA
MG(0:0/15:0/0:0)	0.4966	0.6823	0.3188	NA	1.6214	1.3505	1.5304	NA
MG(0:0/18:1(9Z)/0:0)	0.4865	0.6134	0.4131	NA	1.4080	1.1128	1.9661	NA
MG(0:0/18:2(9Z,12Z)/0:0)	0.3563	0.5375	0.3013	NA	1.7412	1.2973	1.7665	NA
MG(0:0/18:3(6Z,9Z,12Z)/0:0)	0.7845	0.8907	0.4698	NA	0.7231	1.3488	1.7831	NA
MG(0:0/18:4(6Z,9Z,12Z,15Z)/0:0)	0.0732	0.1860	0.1794	NA	1.2950	1.5516	2.7148	NA
MG(0:0/19:0/0:0)	0.9241	0.9435	0.6364	NA	1.0319	1.0804	1.3836	NA
MG(0:0/20:0/0:0)	1.2877	1.0449	1.2324	NA	0.9296	0.8539	0.6514	NA
MG(0:0/20:3(5Z,8Z,11Z)/0:0)	1.2881	1.4550	2.1390	NA	0.3913	0.3616	0.3649	NA
MG(0:0/22:0/0:0)	0.5880	0.9315	0.8112	NA	1.1779	1.2636	1.2277	NA
MG(0:0/i-15:0/0:0)	1.1831	0.9652	1.1349	NA	0.9520	0.8826	0.8822	NA
MG(20:2(11Z,14Z)/0:0/0:0)	1.4309	1.5590	1.6004	NA	0.5518	0.5068	0.3511	NA
MG(22:2(13Z,16Z)/0:0/0:0)	0.6588	0.5674	0.5761	NA	1.2548	1.3036	1.6393	NA
Microlepin	1.0086	1.1444	1.6100	NA	0.7632	0.6034	0.8703	NA
Microminutin	1.4018	2.1605	1.5836	NA	0.2548	0.3490	0.2503	NA
Micropine	0.4728	0.2935	0.1590	NA	2.0029	1.3747	1.6971	NA
Microsporin B	1.6148	1.6921	2.3835	NA	0.0990	0.0957	0.1149	NA
Milbemectin	0.1062	0.1529	0.2329	NA	1.9815	1.4939	2.0327	NA
milbemycin alpha5	0.4785	0.6020	0.7040	NA	1.4189	1.1804	1.6162	NA
Millettocalyxin A	1.3590	1.0604	0.9498	NA	0.8555	0.9175	0.8579	NA
Mimosamycin	0.7475	0.9416	0.8654	NA	0.8826	0.7810	1.7819	NA
minocycline	1.3105	1.4612	1.6458	NA	0.2907	0.7642	0.5276	NA
Minoxidil	0.5685	0.4683	0.3764	NA	1.3364	1.2856	1.9648	NA
Mitomycin A	1.3345	1.1334	1.4894	NA	0.7337	0.7309	0.5781	NA
Mogroside IIe	1.3998	1.4969	2.7108	NA	0.1626	0.1187	0.1111	NA
Mompain	1.9332	1.6929	1.4783	NA	0.1066	0.4775	0.3115	NA
Monoolein	0.7282	0.7299	0.4924	NA	1.3888	0.7151	1.9456	NA
Montiporyne F	0.6929	1.1069	1.5020	NA	0.9732	0.6258	1.0992	NA
Moracin O	0.7390	0.5627	0.5534	NA	1.1757	1.3374	1.6319	NA
Moracin P	0.1784	0.2205	0.1106	NA	1.6892	1.8305	1.9708	NA
Murraculatin	0.1056	0.0909	0.1090	NA	1.5778	2.4789	1.6378	NA
Murrayone	0.2750	0.2537	0.2272	NA	1.7862	1.8960	1.5620	NA
Muscanone	1.9689	1.9163	1.9534	NA	0.0417	0.0694	0.0503	NA
Muscarine	1.6315	1.1536	1.5357	NA	0.6494	0.4897	0.5401	NA
Myltaylorione B	1.6566	1.7838	2.2347	NA	0.1184	0.1041	0.1024	NA
Myristoleic acid	0.9658	0.9747	0.9130	NA	1.0770	1.0953	0.9741	NA
Myrtucommulone G	1.1864	1.2927	1.3269	NA	0.6391	0.7043	0.8505	NA
Myxopyronin B	1.1084	1.1826	1.1912	NA	0.8690	0.7421	0.9067	NA
N1-(2-Hydroxyethyl)flurazepam	1.1934	1.4575	1.3017	NA	0.6624	0.7610	0.6240	NA
N-(1-Deoxy-1-fructosyl)alanine	0.8255	1.2049	1.1731	NA	0.9197	0.9723	0.9045	NA
N1-methyladenosine	1.6503	1.6070	1.6208	NA	0.3428	0.3912	0.3878	NA
N1,N8-Diacetylspermidine	0.2916	0.3177	0.3261	NA	0.9851	0.4883	3.5912	NA
N2-(3-Hydroxysuccinoyl)arginine	1.4051	0.7703	1.5752	NA	0.6375	0.6847	0.9273	NA
N2-Acetyl-L-aminoadipate semialdehyde	1.1788	1.4365	1.1872	NA	0.7307	0.7066	0.7603	NA
N2,N5-Dibenzoyl-L-ornithine	0.9465	1.2685	0.5988	NA	1.3595	1.5298	0.2969	NA
N2-Succinyl-L-ornithine	1.6469	1.7943	1.8419	NA	0.1985	0.1848	0.3335	NA
N-(3-(Dimethylamino)propyl)acrylamide	1.2858	0.9386	0.7890	NA	1.0966	1.1401	0.7498	NA
N-[3-(Dimethylamino)propyl]dodecanamide	0.8745	0.7580	0.4817	NA	1.4811	1.4623	0.9424	NA
N-(3-O-phospho-D-ribulosyl)-cadaverine	0.1165	0.2427	0.1779	NA	1.4641	1.6925	2.3064	NA
N-(4-Amino-2,5-diethoxyphenyl)benzamide	1.3909	0.8939	0.7966	NA	0.9738	1.1154	0.8294	NA
N6-Galacturonyl-L-lysine	1.3259	1.9316	1.7837	NA	0.3228	0.3407	0.2953	NA
N6,N6,N6-Trimethyl-L-lysine	1.2791	0.8166	0.9463	NA	1.1101	0.8711	0.9767	NA
N6-Threonylcarbamoyladenosine	0.9465	0.9387	1.0517	NA	0.9123	1.0445	1.1062	NA
N-(9-oxodecyl)acetamide	1.3900	1.2286	1.0786	NA	0.7026	0.7589	0.8412	NA
N-acetylarginine	1.6547	2.0751	1.6526	NA	0.0630	0.1541	0.4006	NA
N-Acetyl-DL-aspartic acid	0.8167	0.9006	0.6689	NA	0.9326	1.2606	1.4207	NA
N-Acetylglutamine	0.8663	0.7428	0.7803	NA	1.1670	1.2441	1.1994	NA
N-acetylhistidine	0.1799	1.7752	0.0574	NA	1.3529	1.4638	1.1708	NA
N-Acetylkynurenine	2.1537	1.7889	1.5170	NA	0.1934	0.2317	0.1153	NA
N-Acetyl-L-carnosine	1.4045	1.1765	0.9299	NA	0.9201	0.7240	0.8451	NA
N-alpha-Acetyl-L-ornithine	0.2643	0.1749	0.2389	NA	2.1167	1.2990	1.9061	NA
N-Alpha-acetyllysine	1.4818	1.1186	0.8928	NA	0.8297	1.0423	0.6348	NA
Nalpha-Methylhistidine	0.1707	0.2396	0.1916	NA	1.7606	1.8959	1.7416	NA
Nardosinone	0.4439	0.3874	0.4884	NA	1.3522	1.2344	2.0937	NA
Naringenin chalcone	1.6259	1.4447	1.7401	NA	0.3451	0.4138	0.4305	NA
Naringin 6^^-malonate	0.4324	0.4022	0.8614	NA	2.2048	0.9667	1.1325	NA
Nassauvirevolutin A	0.7121	0.5160	0.9090	NA	1.3883	1.6351	0.8396	NA
Naucleidinal	0.5442	0.9127	0.3680	NA	1.0161	1.0779	2.0811	NA
N-Benzoyl-(2R,3S)-3-phenylisoserine	1.4615	2.3671	2.0126	NA	0.0256	0.0754	0.0579	NA
N-Benzoyl-D-arginine	0.5752	0.4484	0.7428	NA	1.7987	1.0588	1.3760	NA
N-Benzylformamide	1.1912	1.2051	1.7675	NA	0.6307	0.6479	0.5578	NA
N-Carbamyl-L-glutamate	2.0452	1.7161	1.9588	NA	0.0872	0.1002	0.0925	NA
N-Cyclohexanecarbonyltetradecylamine	0.8577	0.7320	0.6159	NA	1.3174	1.2562	1.2208	NA
N-decanoylglycine	0.9714	1.4061	1.0895	NA	0.7596	0.7977	0.9757	NA
N-desmethyl loperamide	1.0270	1.0611	0.9207	NA	0.9956	0.9682	1.0275	NA
Ne,Ne dimethyllysine	1.7748	1.6877	0.9475	NA	0.4681	0.7941	0.3278	NA
Neocyclonervilasterol	1.7845	1.7727	1.8515	NA	0.1822	0.1993	0.2098	NA
Neoglycyrol	0.0239	0.0308	0.0128	NA	2.0698	2.0206	1.8421	NA
Neoisoliquiritin	1.6266	0.8533	1.2216	NA	0.6678	0.7389	0.8917	NA
Nepodin	1.4804	1.5470	1.1586	NA	0.5842	0.5342	0.6956	NA
NEROL	1.0812	1.1593	1.0455	NA	0.9491	0.8827	0.8823	NA
Nervosanin A	0.1546	0.1586	0.2163	NA	1.8608	1.8700	1.7396	NA
Neryl propionate	1.2018	1.2357	0.7793	NA	1.0087	1.1552	0.6193	NA
Neurodazine	0.1617	0.1719	0.1324	NA	1.5267	2.1208	1.8864	NA
N-Feruloylglycine	0.6100	0.9447	0.6328	NA	1.1736	0.8325	1.8063	NA
N^-Formylkynurenine	2.0588	1.6261	1.5313	NA	0.2055	0.2493	0.3290	NA
N-Fructosyl tyrosine	1.3322	1.6324	1.8096	NA	0.2412	0.4388	0.5458	NA
N-(gamma-L-glutamyl)-L-alaninol	0.8240	0.9317	0.8522	NA	1.1734	1.2813	0.9373	NA
N-Gluconyl ethanolamine phosphate	0.6017	0.5628	0.5480	NA	1.2504	1.3728	1.6644	NA
Nicotianamine	1.3534	0.9475	0.8367	NA	1.1611	0.8265	0.8748	NA
Nicotinamide	1.1820	1.7220	2.2716	NA	0.2268	0.1945	0.4031	NA
Nicotinic acid riboside	1.2569	1.2461	1.1718	NA	0.7385	0.8335	0.7532	NA
Nigakilactone H	0.9082	0.7829	0.7709	NA	0.9522	0.6119	1.9738	NA
Nigellicine	0.7210	1.1188	0.5845	NA	0.9953	1.2049	1.3754	NA
Nigellidine	0.4413	0.6673	0.2640	NA	1.7008	1.8158	1.1108	NA
Nigellimine N-oxide	0.9173	1.4379	0.9265	NA	0.8680	1.0655	0.7849	NA
N-Isobutyl-(2E,4E)-octadecadienamide	1.3416	1.0596	0.8050	NA	1.1879	0.6732	0.9328	NA
Nitecapone	0.6315	1.2155	1.0502	NA	0.9036	1.2432	0.9562	NA
Nitramine	1.0874	1.0601	0.7389	NA	1.1636	0.8681	1.0819	NA
Nitrovin	2.2089	1.6238	1.7085	NA	0.2262	0.1213	0.1114	NA
N-Linoleoyl Glutamic acid	0.1726	0.2092	0.1835	NA	1.6791	1.7752	1.9804	NA
N-Malonyltryptophan	0.3475	0.5930	0.4327	NA	1.3479	1.4829	1.7960	NA
N-Methyl-2-oxoglutaramate	0.2096	0.2398	0.2697	NA	1.4295	2.1066	1.7448	NA
N-Methylethanolamine phosphate	1.7930	2.0063	0.6552	NA	0.2151	0.6954	0.6350	NA
N-Methylflindersine	1.7592	1.7550	1.8428	NA	0.2177	0.2472	0.1780	NA
N-Methylpelletierine	0.9482	0.9691	0.8892	NA	1.1212	1.1013	0.9710	NA
N-(N-(3-Carboxyoxirane-2-carbonyl)leucyl)isoamylamine	1.1544	1.4902	1.6477	NA	0.5061	0.7471	0.4545	NA
N,N-Dimethyldodecylamine	1.1416	1.2463	1.2159	NA	0.9338	0.8122	0.6502	NA
N,N-Dimethylguanosine	1.5288	2.2042	1.6655	NA	0.1790	0.2732	0.1493	NA
N,N-Dimethyltetradecylamine	0.9623	1.0632	0.9392	NA	1.0971	1.0180	0.9202	NA
N^-Nitrosoanatabine	0.8422	1.6953	1.3298	NA	0.8456	0.8900	0.3971	NA
N-Nitrosoproline	1.4440	1.3834	1.5685	NA	0.5638	0.4793	0.5610	NA
Nocapyrone E	1.0578	1.0826	0.8082	NA	1.1929	0.8940	0.9646	NA
N-Octanoyl-L-homoserine lactone	0.6830	0.6250	0.7741	NA	1.4989	1.1529	1.2661	NA
Nonactin	1.9004	2.1487	1.9370	NA	0.0041	0.0036	0.0063	NA
Nonaethylene glycol	0.7053	0.8113	0.5572	NA	1.5048	1.4320	0.9894	NA
Nopalinic acid	1.2276	1.3516	1.3949	NA	0.6012	0.6937	0.7311	NA
Norbergenin	0.9248	1.3872	0.9628	NA	0.6199	1.1006	1.0047	NA
Nordercitin	1.1459	1.2919	1.2264	NA	0.6851	0.7873	0.8633	NA
Norfloxacin	1.3919	1.6039	2.1734	NA	0.1807	0.4400	0.2102	NA
NORMETANEPHRINE	1.8170	2.0091	1.6639	NA	0.1121	0.2286	0.1693	NA
nor-Plakotenin	1.8885	1.8478	2.0327	NA	0.0814	0.0824	0.0672	NA
Norsecoswartzianin	1.5397	1.2516	1.2316	NA	0.6541	0.6427	0.6803	NA
nor-Spiculoic acid A	2.0027	1.5439	2.3633	NA	0.0442	0.0187	0.0273	NA
Nortricycloekasantalic acid	1.1530	1.3705	1.8741	NA	0.4655	0.6754	0.4616	NA
N-Palmitoyl Lysine	0.2843	0.4323	0.9524	NA	1.7035	1.3246	1.3029	NA
N-Stearoyl Alanine	1.1624	0.8727	0.7669	NA	0.8668	1.1413	1.1899	NA
o-Benzoquinone	1.4315	1.5126	1.3085	NA	0.4897	0.5755	0.6823	NA
Obscuraminol A	0.8956	0.8695	0.9029	NA	1.2188	1.1138	0.9993	NA
Obtucarbamate A	1.3529	2.0577	2.1038	NA	0.1602	0.2579	0.0675	NA
Obtusifolin	1.8321	1.0133	1.1859	NA	0.7910	0.7225	0.4551	NA
Ochratoxin beta	0.0989	0.1233	0.0447	NA	2.1953	1.9515	1.5864	NA
Octacosanoylcarnitine	1.2282	1.1983	1.2137	NA	0.9250	0.4312	1.0036	NA
Octadeca-8,10,12-triynoic acid	0.3824	0.4133	0.3579	NA	1.7251	1.1737	1.9475	NA
Octadecylamine	1.0688	0.8677	0.9322	NA	1.0376	1.1044	0.9893	NA
Octadecyl cis-p-coumarate	0.9300	0.8714	0.7123	NA	0.9791	1.5029	1.0044	NA
Octaethyleneglycol monododecyl ether	0.7089	0.6203	0.8680	NA	1.3972	1.5683	0.8373	NA
octahydropyrrolo[1,2-a]pyrimidine	0.2216	0.3010	0.1749	NA	1.4702	1.2988	2.5334	NA
Octanedioylcarnitine	0.1474	0.2017	0.1310	NA	1.5718	1.5368	2.4113	NA
Octylamine	1.2353	0.9454	1.1682	NA	0.9475	0.9881	0.7155	NA
o-Cymol	0.9682	0.9516	0.9260	NA	1.1022	1.0702	0.9818	NA
O-Desmethylnaproxen	1.5998	1.4053	1.5327	NA	0.2897	0.6921	0.4803	NA
Okaramine O	2.1624	1.9604	1.8083	NA	0.0223	0.0185	0.0280	NA
Okaramine Q	1.6018	1.5926	2.0142	NA	0.2567	0.2527	0.2820	NA
Oleamide	1.2032	1.0733	1.0852	NA	0.8841	0.8677	0.8864	NA
Oleandrose	1.2003	1.4406	0.9878	NA	0.6142	1.1653	0.5918	NA
oleoyl ethanolamide	1.1223	1.6271	0.7986	NA	0.8554	0.7853	0.8112	NA
oleuropein (dialdehyde form)	0.1147	0.0810	0.1189	NA	0.0247	5.6325	0.0281	NA
Oligomycin A	1.4028	1.6304	2.3551	NA	0.1622	0.2075	0.2420	NA
O-methylmalonylcarnitine	2.1235	1.6419	1.4142	NA	0.3382	0.3051	0.1771	NA
Ononin	0.4635	0.3757	0.3775	NA	2.1638	1.6209	0.9986	NA
Oogoniol 2	0.7428	0.6002	0.6584	NA	1.0786	1.4179	1.5022	NA
ophiocordin	0.0209	0.0097	0.0169	NA	2.0476	1.9075	1.9974	NA
Ophiopogonanone D	0.9287	0.9437	0.7352	NA	1.0151	1.0646	1.3126	NA
Ophthalmic acid	1.1755	1.1950	1.0170	NA	0.9378	0.9507	0.7238	NA
Ormosanine	0.7347	0.9386	0.6473	NA	1.0177	1.3883	1.2734	NA
Orotic acid	0.7419	0.3688	0.3335	NA	1.4645	1.4944	1.5968	NA
Oroxylin A	0.9698	0.4891	0.5769	NA	1.7091	1.3192	0.9360	NA
Oroxylin A glucoronide	0.6039	0.2354	0.3698	NA	1.9846	1.2102	1.5960	NA
Orsellinic acid	0.3860	0.4694	0.4290	NA	1.3964	1.6230	1.6963	NA
Orthosphenic acid	1.5713	1.5406	1.6586	NA	0.3548	0.4451	0.4296	NA
O-Succinylhomoserine	0.8286	1.3605	1.2999	NA	0.5510	0.9928	0.9671	NA
Ovalene	1.4520	1.9264	1.7039	NA	0.2977	0.2931	0.3269	NA
Ovalitenin A	1.8253	1.3270	0.8636	NA	0.5722	0.5442	0.8676	NA
Oxidized Latia luciferin	0.9808	0.9818	0.8992	NA	1.0987	1.0367	1.0029	NA
Oxidosenexone	0.3549	0.3568	0.3742	NA	1.5064	1.4940	1.9138	NA
Oxysophocarpine	0.0804	0.0687	0.1393	NA	2.4566	1.3407	1.9144	NA
PA(10:0/10:0(3-OH))	0.2397	0.1706	0.2712	NA	1.1912	1.5484	2.5789	NA
PA(10:0/PGF1alpha)	0.9396	1.4964	1.0551	NA	0.6421	0.7508	1.1158	NA
PA(13:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))	0.3947	0.4183	0.3525	NA	4.7380	0.0271	0.0694	NA
PA(13:0/PGE1)	1.9466	1.7981	1.4760	NA	0.3232	0.2483	0.2078	NA
PA(14:0/20:5(5Z,8Z,11Z,14Z,17Z))	0.8588	0.7454	0.8784	NA	1.1410	1.1397	1.2368	NA
PA(16:1(9Z)/18:1(12Z)-2OH(9,10))	0.9316	0.6636	0.7832	NA	1.1351	1.0326	1.4538	NA
PA(16:1(9Z)/18:3(9Z,12Z,15Z))	1.2399	1.7734	2.7916	NA	0.0910	0.0639	0.0403	NA
PA(19:2(10Z,13Z)/6 keto-PGF1alpha)	0.6823	1.5622	0.8244	NA	0.9345	0.9808	1.0159	NA
PA(20:0/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7))	1.7675	1.8290	2.3083	NA	0.0319	0.0280	0.0352	NA
PA(20:1(11Z)/PGF1alpha)	1.4769	1.8076	2.2252	NA	0.1884	0.1698	0.1321	NA
PA(20:3(8Z,11Z,14Z)-2OH(5,6)/14:0)	0.8281	0.7430	1.1518	NA	0.8214	1.0468	1.4089	NA
PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/22:1(13Z))	1.6523	1.7367	2.4787	NA	0.0262	0.0524	0.0537	NA
PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/a-15:0)	1.6164	1.9388	1.3644	NA	0.4538	0.3225	0.3041	NA
PA(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/i-14:0)	0.4459	0.3802	0.4047	NA	1.2202	1.4042	2.1448	NA
PA(5-iso PGF2VI/P-16:0)	0.6912	0.6477	0.8121	NA	1.0731	1.1503	1.6256	NA
PA(8:0/i-12:0)	0.0534	0.0085	0.0701	NA	0.9151	3.6668	1.2861	NA
Pachymic acid	1.6363	2.0100	2.0283	NA	0.1193	0.1036	0.1025	NA
Pacificanone A	2.0493	1.6683	2.0431	NA	0.0797	0.1099	0.0497	NA
PA(i-12:0/i-19:0)	0.8556	0.9690	0.9962	NA	1.0789	0.7217	1.3786	NA
PA(i-13:0/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R))	0.0860	0.1331	0.0784	NA	1.6932	1.6078	2.4015	NA
PA(i-14:0/PGE2)	0.4810	0.2220	0.4437	NA	1.5706	1.5509	1.7318	NA
PA(i-19:0/12:0(3-OH))	1.3044	1.1504	1.0081	NA	0.6763	0.9357	0.9252	NA
Palmitoleoyl Ethanolamide	0.6801	0.7720	0.6607	NA	1.2666	1.0769	1.5436	NA
Palmitoylglycine	0.7454	0.6301	0.5865	NA	1.4458	1.3058	1.2864	NA
Palmitoyl N-Isopropylamide	1.1884	1.1738	1.1085	NA	0.6863	0.8932	0.9498	NA
Palutropone	0.8332	0.9788	0.9698	NA	0.9731	0.8497	1.3954	NA
Palythoalone B	1.4042	1.7124	2.4267	NA	0.1540	0.1340	0.1687	NA
Pamapimod	0.8121	0.9139	0.8818	NA	1.2947	0.9061	1.1914	NA
Panaxadiol	0.0512	0.0355	0.1477	NA	1.7649	2.0717	1.9289	NA
Panaxatriol	1.6837	1.6797	1.7637	NA	0.3570	0.2633	0.2527	NA
Panaxjapyne C	0.6737	1.0234	0.8541	NA	1.1714	1.1201	1.1573	NA
Panthenol	0.1937	0.1708	0.1603	NA	1.9125	2.0330	1.5299	NA
Papuaforin D	1.9158	1.5725	2.2190	NA	0.0979	0.0823	0.1125	NA
Paradol	0.4716	0.5442	0.5717	NA	1.3969	1.4173	1.5983	NA
Parahigginic acid	1.9826	2.1457	0.7750	NA	0.3178	0.2206	0.5584	NA
p-Benzoquinone	0.5151	0.5587	0.5371	NA	1.1760	2.0196	1.1935	NA
PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))	1.3184	2.6214	0.3284	NA	0.6306	0.8038	0.2974	NA
p-Cresol	1.1756	1.0231	1.6606	NA	0.7855	0.5906	0.7646	NA
PE(18:1(12Z)-O(9S,10R)/P-16:0)	1.0096	1.3011	1.0619	NA	1.0145	0.8723	0.7405	NA
PE(18:2(10E,12Z)+=O(9)/P-16:0)	0.7231	0.8906	0.2712	NA	0.8538	1.1742	2.0871	NA
Pectenotoxin 7	1.8344	1.8598	2.0375	NA	0.0647	0.1093	0.0942	NA
Pelletierine	0.9960	0.9818	0.9075	NA	1.0888	1.0084	1.0176	NA
Pellitorine	0.9439	0.9743	0.9057	NA	1.1042	1.1197	0.9521	NA
Penidienone	0.9664	2.0898	1.2050	NA	0.6024	0.3982	0.7381	NA
PE-NMe(16:1(9Z)/15:0)	0.8532	0.7751	0.5485	NA	1.1547	1.1711	1.4973	NA
Pennogenin 3-O-beta-chacotrioside	0.7276	0.7992	0.9013	NA	1.1012	1.2445	1.2262	NA
Pentamidine	0.5103	0.4976	0.4700	NA	1.6525	1.3259	1.5437	NA
Peramivir	0.7522	0.6205	0.4621	NA	1.2742	0.8009	2.0901	NA
Perillyl alcohol	0.7460	0.6522	0.4984	NA	1.3769	1.1735	1.5530	NA
(+-)-Perrillic acid	1.2993	1.3274	1.3033	NA	0.6884	0.6309	0.7508	NA
Persicogenin	0.3101	0.3349	0.3419	NA	0.8293	1.4949	2.6890	NA
Petroselaidic acid(C18-1T)	0.9717	0.9877	0.9180	NA	1.0868	1.0362	0.9996	NA
PG(16:0/12:0)	1.4467	1.3401	1.2637	NA	0.5573	0.8591	0.5330	NA
PGP(15:0/14:0)	1.5610	2.1490	2.0332	NA	0.0460	0.0936	0.1171	NA
PGP(i-19:0/20:3(5Z,8Z,14Z)-O(11S,12R))	1.5474	1.5298	2.6730	NA	0.1126	0.0586	0.0787	NA
Phaeophorbide b	1.9164	2.1708	1.7894	NA	0.0370	0.0644	0.0220	NA
Pharacine	0.5108	0.4541	0.6789	NA	1.3528	1.2676	1.7357	NA
Phe-Ala-Gly	1.4726	0.8539	0.7025	NA	1.0884	1.1946	0.6880	NA
Phe Ala Leu	1.0090	0.8885	0.8105	NA	1.2235	1.2189	0.8496	NA
Phe-arg	1.5474	1.1741	0.9860	NA	0.8341	0.8321	0.6262	NA
Phe-Asn	1.2413	0.8558	0.7724	NA	1.0901	1.2708	0.7697	NA
Phe Asn Leu	1.0912	0.8414	0.7696	NA	1.1404	1.1754	0.9820	NA
Phe Gly	1.2915	0.9910	0.8991	NA	1.1108	0.9596	0.7481	NA
Phelligridin F	0.0449	0.0353	0.0217	NA	0.8190	1.1191	3.9601	NA
Phellodendroside	1.3339	0.9875	1.5242	NA	0.7535	0.7447	0.6561	NA
Phenalene	0.8179	1.1932	1.5333	NA	0.7206	1.2250	0.5100	NA
Phensuximide	1.3651	1.6003	1.2746	NA	0.5214	0.5690	0.6695	NA
Phenylacetylglycine dimethylamide	1.3756	0.9476	0.7148	NA	1.0924	1.1554	0.7142	NA
Phenylalanylalanine	1.1614	0.9274	0.8567	NA	1.0872	1.2480	0.7193	NA
Phenylalanylphenylalanine	1.1630	0.8526	0.9061	NA	1.0311	1.1376	0.9097	NA
Phenylalanyl-prolyl-arginine	0.2867	0.2415	0.5014	NA	1.6071	1.6590	1.7042	NA
Phenylalanylserine	1.1878	0.9037	0.8312	NA	1.1011	1.2181	0.7581	NA
Phenylalanylvaline	1.4317	0.9011	0.7001	NA	1.1354	1.1929	0.6388	NA
Phenylpropiolic acid	1.5558	1.8418	1.8056	NA	0.2551	0.2691	0.2726	NA
Phe Phe Lys	0.4160	0.6397	0.4052	NA	1.5017	1.8995	1.1379	NA
Phepropeptin A	1.1311	1.1702	0.8910	NA	0.8983	0.8940	1.0154	NA
Phe Thr	1.3374	1.0967	0.8477	NA	0.9135	1.1218	0.6829	NA
Phillygenin	1.9716	1.8288	1.8949	NA	0.0480	0.0948	0.1618	NA
Phlebotrichin	1.7054	2.0040	1.9286	NA	0.1201	0.1278	0.1141	NA
Phlomistetraol A	1.8779	1.4027	1.5495	NA	0.3320	0.3864	0.4514	NA
Phloroglucinol	1.2499	1.0928	1.0572	NA	0.7648	0.8598	0.9755	NA
Phomonitroester	0.5818	0.6874	0.6354	NA	1.0271	1.6832	1.3851	NA
Phosphinothricin	0.8567	1.5937	0.9793	NA	0.8394	0.7574	0.9735	NA
PHOSPHOCHOLINE	1.5016	1.3053	1.2796	NA	0.4866	0.7065	0.7204	NA
Phthalic acid	1.0975	1.2288	1.1533	NA	0.9476	0.7756	0.7972	NA
Phycomysterol A	1.7880	1.3418	1.6734	NA	0.4232	0.3745	0.3991	NA
Phyllocoumarin	1.9739	1.7381	2.0695	NA	0.0722	0.0715	0.0748	NA
Physalin II	0.4451	0.4893	0.1495	NA	1.5201	2.0183	1.3776	NA
Physalin V	1.4789	1.6113	1.6540	NA	0.3281	0.4165	0.5112	NA
Phytosphingosine	1.2273	1.2531	1.3550	NA	0.8142	0.6703	0.6801	NA
PI(22:2(13Z,16Z)/PGF1alpha)	1.5686	1.3737	2.3611	NA	0.2260	0.2225	0.2482	NA
Pibocin B	1.4783	1.6483	2.2788	NA	0.1548	0.1945	0.2453	NA
Picfeltarraenin IA	1.6606	2.0668	2.1447	NA	0.0225	0.0526	0.0527	NA
Picolinic acid	1.1190	1.1113	1.1280	NA	0.9688	0.9035	0.7695	NA
Picramnioside E	0.5438	0.2071	0.4457	NA	0.9296	1.2525	2.6213	NA
Pictoside A	0.2141	0.1421	0.1989	NA	1.8293	2.0842	1.5315	NA
Pinoresinol 4-O-beta-D-glucopyranoside	2.3900	1.3673	1.1695	NA	0.4082	0.2736	0.3913	NA
Pinoresinol Diglucoside	2.1503	1.0394	1.0585	NA	0.6037	0.1742	0.9739	NA
Pinoresinol dimethyl ether	0.3532	0.4370	0.3545	NA	1.7477	1.4603	1.6474	NA
Pipataline	0.6314	0.7954	1.1157	NA	1.0872	1.2337	1.1365	NA
Piperphilippinin II	0.4596	0.4495	0.3235	NA	1.5880	1.4521	1.7273	NA
Pirbuterol	1.1676	1.3674	1.2400	NA	0.6601	0.7622	0.8028	NA
PIRFENIDONE	1.4888	1.8488	1.3727	NA	0.2600	0.6378	0.3918	NA
Piscerythrinetin	0.9677	0.8906	0.7026	NA	0.9114	1.0838	1.4440	NA
Piscrocin E	0.7222	0.6180	0.5802	NA	1.1731	1.5269	1.3796	NA
Pisumsaponin II	0.0429	0.0337	0.0422	NA	1.8617	1.9055	2.1140	NA
Pivagabine	0.5488	0.5892	0.8089	NA	1.2968	1.2588	1.4975	NA
Placidene C	0.5395	0.4214	0.5087	NA	1.4401	1.2358	1.8545	NA
Plakinic acid F	1.4612	1.4609	1.0867	NA	0.7093	0.6723	0.6096	NA
Plakorsin B	1.5884	1.7607	1.4789	NA	0.3802	0.3742	0.4175	NA
Planaic acid	1.2885	1.4913	1.4041	NA	0.5892	0.5799	0.6470	NA
Plastoquinone-1	1.1311	1.4377	1.4774	NA	0.6696	0.5825	0.7016	NA
Platycarpanetin 7-O-glucoside	0.4603	0.3941	0.4230	NA	1.5077	1.3099	1.9051	NA
Pleurogenin	0.3979	0.2732	0.4480	NA	1.6249	1.5871	1.6690	NA
Plumericin	0.8591	0.6025	0.7445	NA	1.2239	1.3227	1.2472	NA
(plusmn)12,13-DiHOME	0.5208	0.5497	0.1968	NA	1.6943	1.4262	1.6121	NA
Pluviatolide	0.8586	0.6484	0.4404	NA	1.0315	1.2237	1.7974	NA
Podecdysone B	1.7134	1.5568	2.0912	NA	0.2047	0.1606	0.2732	NA
Polydatin	1.7418	0.9987	2.2844	NA	0.3111	0.3077	0.3563	NA
Polyneuridine-N-oxide	1.1193	1.2540	1.3294	NA	1.0745	0.6041	0.6187	NA
Polyphyllin H	0.2243	0.2293	0.5192	NA	1.4710	1.6571	1.8991	NA
Polyphyllin I	0.0895	0.0811	0.0857	NA	1.6957	2.0205	2.0275	NA
Polyphyllin VI	1.5979	2.3738	1.9304	NA	0.0197	0.0439	0.0343	NA
Ponganone VI	1.5044	1.2007	1.3569	NA	0.5639	0.7008	0.6734	NA
Poricoic acid B	1.7486	1.6012	1.9028	NA	0.2793	0.1604	0.3077	NA
Posoquenin	1.6287	1.2806	1.0786	NA	0.5996	0.6997	0.7128	NA
Praeruptorin E	0.6471	0.7960	0.7355	NA	0.6450	0.6158	2.5605	NA
Pregnan-21-al	0.6310	0.7960	1.0957	NA	1.1279	1.2227	1.1267	NA
Prenyl glucoside	1.1193	0.8405	0.6507	NA	1.0458	1.8021	0.5415	NA
pre-putrebactin	1.1666	0.9433	0.7797	NA	1.1008	1.3000	0.7096	NA
Pro Asp	0.7685	0.8710	0.8564	NA	0.9466	1.6139	0.9437	NA
Pro Gln His	0.3405	0.3090	0.3622	NA	1.7222	1.1923	2.0739	NA
Pro Ile	1.1054	1.3348	1.1468	NA	0.6739	0.8181	0.9210	NA
Prolyl-Arginine	1.8875	1.2274	1.0732	NA	0.5961	0.7346	0.4812	NA
Prolyl-Gamma-glutamate	1.3935	1.0403	0.9413	NA	0.8645	1.0997	0.6606	NA
Prolylhydroxyproline	0.9672	0.7428	0.5674	NA	1.3031	1.5917	0.8278	NA
Prolyl-Methionine	0.3873	0.3328	0.2754	NA	1.7241	1.7983	1.4821	NA
Prolyl-tyrosine	1.0243	0.9336	1.0282	NA	1.0128	1.2452	0.7559	NA
Propanoylagmatine	0.0116	0.0127	0.0126	NA	2.0648	1.8856	2.0127	NA
Pro Phe Asn	1.0853	1.1892	1.2087	NA	0.8866	1.0298	0.6003	NA
Pro Pro Arg	0.1153	0.0938	0.0905	NA	2.3190	1.3568	2.0246	NA
Propyl cinnamate	1.0386	1.0376	0.7689	NA	1.1019	1.0138	1.0392	NA
Prosaikogenin D	1.8162	1.8618	2.2624	NA	0.0205	0.0164	0.0227	NA
Prosapogenin A	1.0011	1.4981	1.0328	NA	0.8058	0.5601	1.1021	NA
Proscillaridin A	0.5946	0.3577	0.2853	NA	1.6600	1.5996	1.5028	NA
(+)-Prosopinine	1.1908	0.9259	0.9591	NA	0.8428	0.8027	1.2787	NA
Prostaglandin E1	1.1470	1.0302	0.6784	NA	0.9791	0.6316	1.5337	NA
Prostaglandin E2	1.4569	1.8705	1.9075	NA	0.2370	0.2089	0.3191	NA
Pro Thr Ile	1.3563	0.8899	1.0409	NA	1.0466	1.1318	0.5345	NA
Protofarrerol	0.9195	0.8652	0.6540	NA	0.9326	1.4163	1.2124	NA
PSEUDO-ANISATIN	1.8882	0.2868	2.0470	NA	0.2872	0.8787	0.6121	NA
Pseudoginsenoside RT1	0.7276	0.5596	0.7637	NA	2.5920	0.4173	0.9398	NA
Pseudolaric Acid C	0.0591	0.0722	0.0707	NA	0.0926	3.0549	2.6505	NA
Pseudoprotodioscin	1.2422	1.2393	1.3012	NA	0.7995	0.7506	0.6672	NA
Pseudopyronine A	0.4569	0.4648	0.3890	NA	1.5549	1.3444	1.7900	NA
pseudouridine	0.4671	0.5596	0.3852	NA	1.4362	1.9167	1.2352	NA
Pterodontoside H	0.1557	0.1716	0.2462	NA	1.7739	1.8242	1.8284	NA
Pteroside Q	1.4019	1.3973	1.3537	NA	0.4722	0.5935	0.7813	NA
Puerarin 6^^-O-Xyloside	0.0126	0.0237	0.0060	NA	2.0514	1.9354	1.9710	NA
Puerarin xyloside	0.0102	0.0158	0.0076	NA	2.0373	2.0898	1.8392	NA
Pumiliotoxin 251D	0.9016	0.9268	0.8648	NA	1.1166	1.1122	1.0780	NA
Pyriferine C	1.7144	2.1929	1.7865	NA	0.0695	0.1322	0.1046	NA
quadranoside IV	2.4128	1.2106	2.0408	NA	0.1087	0.1215	0.1056	NA
Quassin	2.1018	2.3571	1.3639	NA	0.0743	0.0421	0.0608	NA
Quercetin 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside	0.2139	0.3147	0.5643	NA	1.3575	1.4915	2.0581	NA
Quercetin 3-O-beta-D-(6^^-p-coumaroyl)glucopyranosyl(1-->2)-alpha-L-rhamnopyranoside	1.7963	1.8121	2.2163	NA	0.0584	0.0680	0.0490	NA
Quercinic acid C	1.0408	1.2768	1.8346	NA	0.7278	0.5139	0.6062	NA
Questin	0.7578	0.4973	0.5077	NA	1.6736	1.4640	1.0996	NA
Questiomycin A	1.1420	1.3193	1.1076	NA	0.8572	0.7360	0.8378	NA
Quillaic acid	1.6341	1.6275	0.7974	NA	0.6689	0.6079	0.6642	NA
Quinolactacin A	1.5454	1.7288	2.1058	NA	0.2143	0.1912	0.2145	NA
QUINOXALINE	2.0358	1.6789	1.6109	NA	0.0450	0.3033	0.3261	NA
(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene	1.1580	0.5649	0.5073	NA	1.5098	1.1908	1.0692	NA
(R)-1-O-b-D-glucopyranosyl-1,3-octanediol	0.6983	2.9117	0.6023	NA	0.5804	0.6612	0.5461	NA
(R)-3-Acetyl-7-hydroxy-5-methoxy-3,4-dimethylisobenzofuran-1(3H)-one	0.5198	0.6368	0.4851	NA	1.4104	1.3581	1.5898	NA
Radicamine A	0.3691	0.5434	0.5140	NA	2.1650	1.6724	0.7362	NA
Raloxifene	0.7599	0.8471	0.8543	NA	1.1086	1.2170	1.2130	NA
Raspberry ketone glucoside	0.6124	0.5007	0.6868	NA	1.4644	1.5428	1.1929	NA
[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one	0.2800	0.2936	0.1966	NA	1.6466	1.4545	2.1287	NA
Reduced FMN	0.5329	0.5710	0.6133	NA	1.6914	1.4250	1.1664	NA
Regaloside A	1.5819	1.5641	1.3738	NA	0.3269	0.5769	0.5765	NA
Regaloside C	1.7026	1.8464	1.7162	NA	0.2184	0.2730	0.2435	NA
Rehmaglutin C	0.9035	1.0417	0.9503	NA	1.2008	0.8131	1.0905	NA
Remangilone A	1.6908	2.1259	2.0294	NA	0.0219	0.0608	0.0713	NA
Reptoside	1.2401	1.3511	1.3869	NA	0.6703	0.6107	0.7408	NA
Resibufogenin	1.4369	1.5256	1.8928	NA	0.2358	0.2974	0.6114	NA
Resveratrol	0.8479	0.6831	0.5468	NA	1.5350	1.2214	1.1659	NA
Retinoic acid	1.5969	1.6100	2.0363	NA	0.2733	0.2002	0.2833	NA
Revandchinone 1	1.6066	1.9086	1.2175	NA	0.4171	0.4854	0.3649	NA
Rhabdastrellin E	1.4889	2.4399	1.9715	NA	0.0540	0.0119	0.0338	NA
Rhamnocitrin	2.1460	1.9891	1.6653	NA	0.0571	0.0637	0.0788	NA
Rhodojaponin III	0.6522	0.9822	0.9439	NA	0.9932	0.7257	1.7028	NA
RHODOTORULIC ACID	1.1859	0.9259	0.9706	NA	1.0202	1.0645	0.8329	NA
(R)-(Homo)2-citrate	1.3980	1.1798	1.1543	NA	0.8013	0.6854	0.7813	NA
Riboflavin	1.3548	1.3822	1.5274	NA	0.5596	0.7303	0.4456	NA
Riccionidin A	2.3045	2.1151	1.4600	NA	0.0410	0.0453	0.0341	NA
Ricinoleic acid	1.1835	2.3356	1.7663	NA	0.2245	0.3309	0.1591	NA
Rifabutin	2.0151	1.8436	1.8247	NA	0.0871	0.0927	0.1368	NA
Ritalinic acid	1.1433	2.0065	1.1466	NA	0.6510	0.5877	0.4649	NA
(R,R)-(+)-Hydrobenzoin	1.2072	1.2102	1.2198	NA	0.8881	0.6378	0.8370	NA
rubiarboside G 28-al	0.3173	0.2376	0.2223	NA	1.7508	1.8745	1.5975	NA
Rubinaphthin B	0.5812	0.5517	0.4053	NA	1.4445	1.2614	1.7558	NA
Rubuside E	0.1916	0.1370	0.2334	NA	1.6479	1.8913	1.8988	NA
Rubuside H	0.0757	0.0427	0.0686	NA	1.9929	1.9253	1.8947	NA
Rugulosone	1.8662	1.2501	2.6648	NA	0.0672	0.0966	0.0550	NA
Rumphellolide B	0.3371	0.3326	0.2903	NA	1.7652	1.3966	1.8782	NA
Rumphellolide F	1.0276	1.1539	1.5188	NA	0.7549	0.7020	0.8427	NA
(S)-9-Hydroxy-10-undecenoic acid	0.8379	0.7151	0.5802	NA	1.3314	0.9196	1.6158	NA
(S)-a-Amino-2,5-dihydro-5-oxo-4-isoxazolepropanoic acid N2-glucoside	2.6554	1.4483	1.4940	NA	0.1816	0.1220	0.0987	NA
Saccharopine	1.3124	1.7537	1.4163	NA	0.1949	0.7993	0.5234	NA
S-adenosyl-L-methionine	1.8005	1.5817	1.6773	NA	0.3136	0.2630	0.3639	NA
Sagitol	1.6269	1.3663	1.9890	NA	0.2940	0.3467	0.3771	NA
Saikogenin D	0.8076	0.7152	0.8269	NA	1.1556	1.2347	1.2600	NA
Sakacin A	0.4037	0.2450	0.5096	NA	1.7593	1.7035	1.3790	NA
Salbostatin	1.4009	1.8551	2.6434	NA	0.0316	0.0493	0.0198	NA
Salidroside	1.1697	1.0384	1.4443	NA	0.6882	0.7681	0.8913	NA
Salvianolic acid G	0.6764	0.8260	0.6404	NA	1.1059	1.2989	1.4523	NA
Sandosaponin A	0.0061	0.0055	0.0041	NA	2.1912	1.8545	1.9385	NA
Santene	1.2803	1.1564	1.3392	NA	0.8066	0.6955	0.7220	NA
Sarcophyton polyhydroxysterol	1.3976	1.3364	1.4493	NA	0.5572	0.7170	0.5425	NA
Sarcostin	1.1085	1.3781	1.1130	NA	0.7297	0.7075	0.9633	NA
Sargaol	1.9106	1.6000	1.8072	NA	0.2430	0.1879	0.2513	NA
(+)-Sarodesmine	0.8500	1.1690	0.7119	NA	0.9727	0.9608	1.3355	NA
(S)-ATPA	1.1497	0.8191	0.7738	NA	1.2005	1.2500	0.8070	NA
Sauchinone	1.7824	1.2366	1.1194	NA	0.6138	0.4120	0.8358	NA
Savinin	0.4876	0.6419	0.5541	NA	1.4744	1.3591	1.4829	NA
Sclareolide	0.9737	0.9565	0.8801	NA	1.2262	0.8068	1.1568	NA
Scrophuloside A	0.4472	0.3768	0.4209	NA	1.5338	2.1490	1.0722	NA
Scutellarein 7,4^-dimethyl ether 6-glucoside	1.6928	0.7916	1.1251	NA	1.0384	0.6347	0.7174	NA
Scutellarein tetramethyl ether	0.0325	0.0339	0.0201	NA	1.4330	3.1263	1.3543	NA
secobarbital	1.8878	1.3220	1.5210	NA	0.4197	0.6768	0.1727	NA
Sec-O-Glucosylhamaudol	0.5655	0.5694	0.5069	NA	1.5628	1.3309	1.4646	NA
Secoisoodorinol	0.0575	0.2284	0.1703	NA	1.5024	1.2335	2.8079	NA
seco-plakortolide K	0.0121	0.0067	0.0120	NA	1.7750	1.8495	2.3447	NA
Sedanolide	0.4673	0.4279	0.3920	NA	1.8177	1.3162	1.5788	NA
Segetalin G	0.3575	0.4449	3.6901	NA	0.4905	0.4334	0.5836	NA
selenoneine	1.2306	1.4990	1.4986	NA	0.6834	0.4055	0.6829	NA
Senecionine	0.2364	0.2063	0.3686	NA	2.3713	1.6092	1.2082	NA
Senedigitalene	1.2430	1.2313	1.0927	NA	1.0175	0.5785	0.8370	NA
Senkyunolide A	0.3589	0.3709	0.2990	NA	1.8502	1.4395	1.6815	NA
Senkyunolide H	1.3089	1.0595	1.3957	NA	0.8136	0.7408	0.6814	NA
Ser Asp Arg	1.7330	1.6992	2.1751	NA	0.1103	0.1934	0.0890	NA
Ser Ile Glu	1.3012	0.9312	0.7523	NA	1.0834	1.2253	0.7065	NA
Ser Leu	1.1616	0.8318	0.6928	NA	1.1745	1.2530	0.8864	NA
Serotonin	0.6861	0.7127	0.5846	NA	1.2693	1.3741	1.3732	NA
Ser Phe Arg	0.8307	0.8049	0.6709	NA	1.4306	0.9743	1.2886	NA
Ser Ser Ile	1.7483	1.3800	2.0063	NA	0.3767	0.2888	0.1998	NA
Serylglutamine	1.0485	0.8263	0.7136	NA	1.2149	1.2838	0.9129	NA
Serylvaline	1.1254	0.8669	0.7162	NA	1.1788	1.2648	0.8478	NA
Serylvalylglycylglutamic acid	1.1080	1.1569	0.7336	NA	1.1176	1.1074	0.7766	NA
Sesamin	1.1734	0.9979	0.8793	NA	0.8301	0.9487	1.1705	NA
Sesamol	0.1778	0.1536	0.1243	NA	1.7479	2.2072	1.5891	NA
Shikonin	1.0208	1.0888	0.8266	NA	1.0337	1.0457	0.9844	NA
Shionone	1.0922	0.9276	1.0071	NA	1.2054	0.7747	0.9929	NA
Shogasulfonic acid A	0.5044	0.5281	0.6639	NA	1.9703	1.3773	0.9560	NA
Sibiricose A5	1.7503	1.6606	1.9441	NA	0.1350	0.2277	0.2823	NA
Sicanatriol 7beta,18-diacetate	1.4857	1.5659	1.8808	NA	0.5011	0.2104	0.3562	NA
Sinapaldehyde	1.2334	1.2022	1.1881	NA	0.7783	0.8217	0.7763	NA
Sinapic acid ethyl ester	0.0406	0.0549	0.0696	NA	1.7975	2.2292	1.8082	NA
SINAPIC ACID METHYL ETHER	1.2702	2.5024	1.3680	NA	0.1678	0.4534	0.2382	NA
Sinapyl alcohol	0.9194	0.7457	1.1811	NA	0.4537	0.5229	2.1772	NA
Sinulaflexiolide C	0.7933	0.9319	1.1043	NA	0.8797	1.0130	1.2778	NA
S-Japonin	0.5683	0.4211	0.7419	NA	1.2837	1.3029	1.6821	NA
Skimmin	1.5309	1.6592	2.7412	NA	0.0180	0.0313	0.0195	NA
Slaframine	1.3278	0.9778	0.9106	NA	0.8457	1.3049	0.6332	NA
SM(d17:1/TXB2)	0.3598	0.4101	0.7658	NA	1.8441	1.1596	1.4606	NA
SM(d18:0/16:1(9Z))	1.7404	0.6398	0.2862	NA	1.4021	0.9012	1.0303	NA
SM(d18:1/TXB2)	2.1594	1.0285	2.1477	NA	0.2750	0.2732	0.1163	NA
S-Methyl-methionine	0.1185	0.1511	0.1120	NA	2.0944	1.8223	1.7017	NA
Sodwanone L	0.3089	0.4040	0.2182	NA	1.6140	1.8892	1.5656	NA
Sodwanone M	0.9309	0.9463	0.8090	NA	1.0226	1.1346	1.1567	NA
Sophoricoside	1.7669	1.4448	1.6178	NA	0.4717	0.4026	0.2963	NA
Soyacerebroside I	1.1337	1.2162	1.3935	NA	0.6334	0.7786	0.8446	NA
Soyasapogenol A	0.4799	1.1285	1.2577	NA	1.2682	1.1185	0.7472	NA
Soyasapogenol B	0.2072	0.2244	0.1865	NA	0.9048	2.6091	1.8681	NA
Soyasaponin Bb	0.2516	0.2769	0.2167	NA	1.7170	1.9376	1.6001	NA
(S)-Panaxjapyne A	0.6155	0.6177	0.5325	NA	1.4580	1.3488	1.4275	NA
Spathulenol	0.5379	0.6556	0.5434	NA	1.0905	1.8320	1.3406	NA
Speciosin D	1.1155	1.2340	1.2308	NA	0.7981	0.7822	0.8394	NA
Spermidine	1.6102	1.6407	1.6769	NA	0.3119	0.3112	0.4490	NA
Spermine	2.4060	1.4758	1.2758	NA	0.2939	0.4397	0.1088	NA
Sphingosine (d17:1)	0.9404	0.9705	0.9300	NA	1.0896	1.0912	0.9783	NA
Spicatolide A	1.8432	1.3590	2.0422	NA	0.3334	0.1358	0.2864	NA
Spinasaponin A	0.1792	0.1899	0.1216	NA	1.6737	1.9047	1.9310	NA
spinosyn macrolactone	1.2039	1.4090	1.7397	NA	0.7509	0.2840	0.6125	NA
Spirodysin	1.2245	1.3087	1.0213	NA	0.9088	0.7683	0.7684	NA
Spironolactone	0.8817	0.7619	1.4006	NA	0.8491	1.0944	1.0123	NA
(S,S)-traseolide	0.6879	0.4536	0.5564	NA	1.3465	1.4723	1.4833	NA
S-succinylcysteine	0.5267	0.5705	0.6606	NA	1.2145	1.3988	1.6289	NA
Stansioside	2.1511	1.2592	2.4920	NA	0.0166	0.0482	0.0329	NA
Starch acetate	1.7940	1.5188	1.9725	NA	0.1977	0.1651	0.3519	NA
Stearamide	1.0640	1.0078	1.0737	NA	0.9316	0.9746	0.9483	NA
Stearidonic acid	0.3232	0.3777	0.2412	NA	1.5439	1.3713	2.1426	NA
Stellettin J	1.8308	1.6672	1.7883	NA	0.1457	0.1662	0.4018	NA
Stemofuran K	0.1612	0.3549	0.2601	NA	2.7704	1.2719	1.1815	NA
(-)-Stephabinamine	1.4177	1.9419	1.8943	NA	0.2776	0.2281	0.2404	NA
(S)-Tetraphyllin A	2.1380	1.6266	2.0183	NA	0.0583	0.0762	0.0825	NA
STIGMASTA-4,22-DIEN-3-ONE	0.7851	1.5019	1.5913	NA	0.5560	0.7071	0.8586	NA
Stigmatellin Y	0.4497	0.5267	0.9242	NA	1.7957	1.1909	1.1128	NA
Stypandrol	1.3934	1.5181	1.5584	NA	0.1592	0.2211	1.1498	NA
Subamolide C	0.9708	1.4077	0.8006	NA	1.0108	0.8233	0.9868	NA
Suberenone	1.4228	1.4286	1.7162	NA	0.4172	0.4599	0.5554	NA
Suberosol	0.4139	0.5387	0.5790	NA	0.7220	2.1178	1.6286	NA
Succinimidyl acetate	0.6424	1.0869	0.7158	NA	1.0089	1.2792	1.2668	NA
Succinyladenosine	1.3801	1.8233	1.2708	NA	0.4505	0.5689	0.5064	NA
Sulfamethazine	0.3607	0.4277	0.2951	NA	1.3396	1.6549	1.9221	NA
Sulfuretin	1.4011	1.1177	1.2786	NA	0.6551	0.9004	0.6470	NA
Sulindac	1.3848	0.9758	1.4165	NA	0.4163	0.8857	0.9210	NA
Sulindac sulfide	0.3312	0.2821	0.3303	NA	1.0328	1.1696	2.8541	NA
Suprofen	0.5835	0.9564	0.6858	NA	1.9101	0.7621	1.1021	NA
(-)-Syringaresinol	1.2517	1.1454	1.1446	NA	0.7160	0.7554	0.9868	NA
Syringic acid	0.7511	0.9975	0.8835	NA	1.1162	1.0621	1.1896	NA
Syringylresinol diacetate	2.7039	1.5327	1.4069	NA	0.1379	0.0934	0.1251	NA
Tachiogroside B	0.3702	0.3630	0.3102	NA	1.1721	1.8740	1.9105	NA
Tamarixetin 3-galactoside	2.2553	2.0897	0.8097	NA	0.2315	0.1737	0.4401	NA
Tarasaponin VI	1.5288	2.1989	2.0878	NA	0.0843	0.0556	0.0446	NA
Taraxacine B	0.7352	0.9189	0.6798	NA	1.0563	1.3287	1.2812	NA
Taraxasterol	1.0171	1.6607	1.2670	NA	0.9521	0.2855	0.8177	NA
Tashironin	0.7570	0.8567	0.7954	NA	1.2865	1.0947	1.2096	NA
Taumycin B	1.8218	1.9849	2.0375	NA	0.0628	0.0459	0.0473	NA
Tazarotenic acid	1.7754	1.9760	1.5772	NA	0.2410	0.3896	0.0410	NA
Tecomine	1.0096	1.2142	1.2747	NA	0.8275	0.8664	0.8075	NA
Tecostanine	0.9610	0.9638	0.9115	NA	1.1018	1.0952	0.9667	NA
Temozolomide	2.1482	1.5872	2.0116	NA	0.1121	0.0569	0.0841	NA
Tenacissoside G	0.2336	0.1163	0.1246	NA	1.9849	1.6082	1.9324	NA
Tenofovir	0.4376	0.2982	0.7736	NA	1.4166	0.9248	2.1493	NA
Tepanone	1.5583	0.3582	1.6352	NA	0.7419	0.6037	1.1028	NA
Terephthalic acid	1.7152	1.8944	2.1773	NA	0.0949	0.0621	0.0561	NA
Terezine A	1.6702	1.4177	2.0062	NA	0.2939	0.2893	0.3228	NA
Terezine B	1.6672	2.5332	1.5131	NA	0.0711	0.1106	0.1048	NA
Tetracentronside A	0.7129	0.4178	1.2308	NA	0.7905	0.4963	2.3516	NA
tetradec-5-ynoic acid	0.9033	1.0469	0.9401	NA	1.1319	0.9976	0.9802	NA
Tetraethylene glycol monododecyl ether	0.7351	0.7200	0.6657	NA	1.5434	1.4890	0.8469	NA
Tetrahydrocortisone	0.7351	0.5453	0.7138	NA	1.3466	0.8644	1.7948	NA
Tetralin	1.0812	1.1103	1.2014	NA	0.8454	0.9068	0.8548	NA
Thalidomide	1.0730	1.1460	0.8811	NA	0.7659	1.0101	1.1239	NA
Thalidomide-5-OH	0.2177	0.2416	0.3027	NA	0.9954	1.6470	2.5957	NA
Therafectin	0.5480	0.6947	0.5835	NA	1.3797	1.0006	1.7935	NA
Thielavin B	0.2258	0.2450	0.0635	NA	2.0867	1.7958	1.5832	NA
Thioctic acid	1.0745	1.0841	1.3906	NA	0.7479	0.7589	0.9440	NA
Thioridazine 5-sulfoxide	0.7956	1.7166	2.8531	NA	0.2059	0.2027	0.2261	NA
Thonningine B	0.1565	0.1788	0.1399	NA	1.9105	1.9068	1.7074	NA
Thr Arg Tyr	0.5955	0.3892	0.4709	NA	1.5647	1.0718	1.9079	NA
Thr Asp Lys	1.1644	0.9832	1.3114	NA	0.9318	0.9783	0.6309	NA
Threonylhydroxyproline	0.9222	0.7815	0.6918	NA	1.1613	1.4411	1.0022	NA
Threonylthreonine	1.0655	0.8835	0.8591	NA	1.1918	1.1336	0.8665	NA
Thr Gly Ile	1.1661	0.8937	0.7469	NA	1.0052	1.4784	0.7097	NA
Thr Leu	1.4733	1.0335	0.9867	NA	0.8895	0.9682	0.6488	NA
Thr Leu Ile	1.1299	0.8989	0.6406	NA	1.1507	1.3861	0.7937	NA
Thr Leu Phe	1.0844	0.8934	0.6845	NA	1.2296	1.2959	0.8121	NA
Thr-Trp	1.0119	0.6570	0.5567	NA	1.3054	1.5584	0.9105	NA
Thr Val Leu	1.0821	0.8984	0.7754	NA	1.0324	1.3690	0.8427	NA
THTC	0.7428	0.5640	0.4034	NA	1.6320	1.4706	1.1872	NA
Thymine	1.3683	2.1436	1.0010	NA	0.3942	0.6857	0.4071	NA
Thymine dimer	1.2177	1.2708	1.2182	NA	0.7737	0.7008	0.8188	NA
Tilianin	2.3076	1.4151	2.2478	NA	0.0142	0.0086	0.0067	NA
Tilmacoxib	1.2952	0.7021	0.7403	NA	0.7211	1.2172	1.3240	NA
Timosaponin AIII	1.2458	1.9712	1.9969	NA	0.2407	0.2496	0.2958	NA
(-)-Tochuinyl acetate	0.9749	1.0073	1.1768	NA	1.0753	0.8670	0.8987	NA
Tofacitinib	0.5489	0.5881	0.4107	NA	1.3219	1.4564	1.6741	NA
Toonaciliatin A	0.1330	0.0937	0.0763	NA	1.6324	2.2119	1.8527	NA
Topsentisterol D1	0.2361	0.2331	0.1952	NA	1.8499	1.9117	1.5740	NA
Tracheloside	1.4578	0.9798	1.1968	NA	0.6275	0.4985	1.2395	NA
trans-10-Heptadecenoic acid	0.4017	0.4057	0.3368	NA	1.5918	1.6445	1.6196	NA
trans-10-Nonadecenoic acid(C19-1T)	1.1020	0.9168	0.9581	NA	0.9873	1.0743	0.9616	NA
trans-1,2-Diphenylcyclobutane	1.1381	1.6769	1.8982	NA	0.6386	0.4524	0.1958	NA
trans-(-)-2-Acetyl-1-isopropylcyclopropaneacetic acid	1.0895	1.1784	1.4291	NA	0.7517	0.6889	0.8623	NA
trans-2-Octenoic acid	0.0155	0.0196	0.0109	NA	1.6641	1.9677	2.3222	NA
trans-Ferulic acid	1.7183	1.6964	1.6637	NA	0.2752	0.3443	0.3020	NA
trans-Nerolidol	1.1016	1.2147	1.6959	NA	0.5098	0.4005	1.0775	NA
trans-urocanate	0.2559	0.4993	0.4160	NA	1.8306	1.3394	1.6588	NA
Triacetin	1.3594	1.2778	1.0454	NA	0.8271	0.6295	0.8609	NA
Tributyrin	0.1041	0.1235	0.1396	NA	2.1543	1.2894	2.1892	NA
Tricaprilin	0.9097	0.8122	1.0323	NA	1.1761	1.1932	0.8765	NA
trichagmalin C	1.1290	1.8718	2.3010	NA	0.2265	0.2230	0.2487	NA
Tricin 7-[p-coumaroyl-(->2)-glucuronyl-(1->2)-glucuronide]	1.9071	1.1077	1.0825	NA	0.6172	0.6165	0.6690	NA
tridecane-3,4-dione	1.8608	1.8689	2.1511	NA	0.0249	0.0515	0.0427	NA
Triglyme	1.6448	0.9690	0.9332	NA	0.8646	0.9360	0.6524	NA
Trigonelline	1.3151	1.4596	1.5584	NA	0.6689	0.5025	0.4955	NA
Tris(butoxyethyl)phosphate	0.0572	0.1568	0.1509	NA	2.2909	1.4251	1.9191	NA
Trixagotriol	1.7142	1.7999	1.4925	NA	0.3189	0.3233	0.3512	NA
Tropolone	1.0604	0.8567	1.3395	NA	0.4415	0.3670	1.9349	NA
Trp-Ala-Gly	0.8718	0.8534	0.8954	NA	1.5038	1.0544	0.8211	NA
Trp Ile His	0.1481	0.5797	2.4405	NA	1.0355	0.9452	0.8510	NA
Trp Met His	0.6818	1.0191	0.6678	NA	1.3351	0.9237	1.3726	NA
Tryptophol	1.2716	1.3857	1.1093	NA	0.6594	0.8112	0.7627	NA
Tuberatolide A	0.9163	0.8245	0.5738	NA	1.4447	0.7268	1.5140	NA
Tulipalin B	0.8164	0.8830	0.7328	NA	1.1179	1.3151	1.1349	NA
Turraflorin G	0.7697	0.8225	1.1091	NA	0.4490	0.2962	2.5536	NA
Tyr Leu Val	1.4571	1.0417	0.9195	NA	0.9435	1.0583	0.5801	NA
Tyr Met	1.5129	0.9765	0.8104	NA	0.9806	1.2335	0.4860	NA
Tyrosylglycine	1.3087	1.1092	1.0565	NA	0.8892	0.9875	0.6490	NA
Tyr Phe	1.4131	0.9358	0.8142	NA	1.0995	1.1619	0.5754	NA
Tyr Phe Trp	0.6720	0.6336	0.2477	NA	1.7301	1.6747	1.0419	NA
undec-10-enoylcarnitine	0.0632	0.1075	0.1693	NA	1.7858	1.6814	2.1928	NA
Ungiminorine	0.3911	0.5582	0.3486	NA	1.8571	1.6775	1.1675	NA
Uralenneoside	1.0268	1.1716	1.6986	NA	0.6934	0.6402	0.7693	NA
Uric acid	1.2835	1.2019	1.0624	NA	0.7785	0.7891	0.8845	NA
Uridine 2^,3^-cyclic phosphate	1.0483	1.1411	1.1963	NA	0.8596	0.9936	0.7611	NA
Uridine 5^-monophosphate	1.4495	1.4524	1.1322	NA	0.5071	0.7983	0.6604	NA
Urocortisol	0.6549	0.6766	0.6167	NA	1.4106	1.4883	1.1528	NA
Uvaol	0.1246	0.1337	0.1236	NA	2.1514	1.5241	1.9425	NA
Val Ala	1.6830	1.1019	1.0209	NA	0.6627	0.9947	0.5368	NA
Val Arg	1.8583	1.3264	0.9712	NA	0.6724	0.7220	0.4496	NA
Val Ile Glu	1.2840	0.9817	0.6952	NA	1.0515	1.3033	0.6843	NA
Val Ile Leu	1.1442	0.8916	0.6454	NA	1.1027	1.4457	0.7705	NA
Val Leu Ala	1.1444	0.8399	0.8209	NA	1.1886	1.1634	0.8428	NA
Val Leu Gln	1.3654	0.8664	0.7546	NA	1.1688	1.1295	0.7153	NA
Val Leu Phe	0.9815	0.8549	0.7947	NA	1.1302	1.3271	0.9116	NA
Val Phe Phe	1.2820	0.7102	1.0165	NA	1.0258	1.1584	0.8072	NA
Val-pro-pro	1.4011	1.0063	1.0858	NA	0.8014	1.1435	0.5620	NA
Val Thr Gln	1.2329	1.2525	0.7577	NA	0.8300	1.3574	0.5694	NA
Val Val Leu	1.3056	0.9656	0.9791	NA	0.9309	1.1463	0.6727	NA
Valylasparagine	1.5749	1.0361	0.9211	NA	0.7807	1.0046	0.6826	NA
Valyllysine	1.4472	1.1747	1.1574	NA	0.6902	0.8312	0.6993	NA
Valylproline	1.2466	0.9126	0.7508	NA	0.9953	1.4213	0.6735	NA
Vanillic acid 4-beta-D-glucoside	1.5416	1.3043	1.5150	NA	0.4178	0.3872	0.8340	NA
Vasicinone	2.3089	1.7696	1.6655	NA	0.0735	0.0502	0.1322	NA
Vielanin A	0.1149	0.2249	0.1931	NA	0.2803	1.9348	3.2519	NA
Vilmoridine	0.5737	0.6560	0.6656	NA	1.4315	1.2482	1.4251	NA
Vindoline	0.6498	0.9634	0.6647	NA	1.2434	1.0631	1.4157	NA
Viridiene	0.8848	0.6570	0.6948	NA	1.1160	1.5966	1.0508	NA
Viteagnusin D	1.6993	2.2193	1.9787	NA	0.0491	0.0262	0.0274	NA
Viteralone	0.7815	0.8878	0.6118	NA	1.2218	1.2997	1.1974	NA
Vitexdoin C	0.7900	0.7187	0.5057	NA	1.2088	1.3771	1.3997	NA
Volkenin	1.9168	2.3334	1.5844	NA	0.0225	0.0768	0.0661	NA
(+)-Vulgraon B	1.3428	1.6596	1.7896	NA	0.3865	0.3517	0.4698	NA
Wilforlide A	0.4301	0.2930	0.4000	NA	0.7863	1.5550	2.5357	NA
Withanolide B	0.4682	0.6308	0.2542	NA	1.3586	1.6410	1.6473	NA
Wyethic acid	0.7577	0.9450	0.6854	NA	1.4503	1.0936	1.0680	NA
Xanthine	1.2505	1.5886	1.4970	NA	0.6033	0.6263	0.4342	NA
Xanthopterin	1.3059	1.2709	1.3355	NA	0.6338	0.6913	0.7626	NA
Xanthotoxol	0.1031	0.2601	0.1880	NA	1.9633	1.4188	2.0666	NA
Xanthoxylin	1.1246	1.5425	1.6643	NA	0.1538	1.1722	0.3426	NA
Xanthurenic acid	1.4552	1.6348	1.7312	NA	0.3317	0.3807	0.4664	NA
Xestodecalactone B	0.6649	0.9379	0.7560	NA	1.3318	1.0670	1.2423	NA
Xylobiose	0.7819	0.5261	0.6146	NA	1.3577	1.8494	0.8704	NA
Xylometazoline	1.5441	0.5104	0.4189	NA	1.2501	1.4728	0.8037	NA
Yaretol	0.5450	0.4481	0.3171	NA	1.4329	1.2881	1.9687	NA
Yunngnin A	0.1265	0.3182	0.0716	NA	2.3489	1.5864	1.5485	NA
(Z)-2-octylpent-2-enedioic acid	1.2268	1.3903	1.5724	NA	0.8034	0.4650	0.5421	NA
(Z)-5,8,11-trihydroxyoctadec-9-enoic acid	0.3249	0.3806	0.1960	NA	1.9329	1.6132	1.5523	NA
(Z)-But-2-ene-1,2,3-tricarboxylate	0.8554	1.0792	1.1286	NA	1.6644	1.0024	0.2700	NA
Zeatin riboside	1.5292	1.8748	1.4053	NA	0.3349	0.4348	0.4211	NA
Zhankuic Acid A Methyl Ester	2.1604	1.1640	1.0219	NA	0.4203	0.5376	0.6957	NA
Zingibroside R1	0.4613	0.3712	0.2638	NA	1.6206	1.7661	1.5170	NA
zinolol	1.6163	1.9459	2.0204	NA	0.1100	0.1477	0.1597	NA
(Z,Z,Z)-3,6,9-Dodecatrien-1-ol	1.1777	1.0278	0.7580	NA	0.9269	1.2161	0.8934	NA

Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1	Sample source:Aboveground | Drought_Intensity:Control
F2	Sample source:Aboveground | Drought_Intensity:Light Drought
F3	Sample source:Aboveground | Drought_Intensity:Moderate Drought
F4	Sample source:Aboveground | Drought_Intensity:Severe Drought
F5	Sample source:Root | Drought_Intensity:Control
F6	Sample source:Root | Drought_Intensity:Light Drought
F7	Sample source:Root | Drought_Intensity:Moderate Drought
F8	Sample source:Root | Drought_Intensity:Severe Drought