Data for (Study ST003817)

(Analysis AN006275)

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

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

Metabolite	F1	F2	F3	F4
10-hydroperoxy-8E,12Z-octadecadienoic acid	1.5966	0.6915	0.7078	1.0081
10-MethylHexadecanoylcarnitine	0.4168	1.6038	1.3097	0.6508
(10Z,12E)-hexadeca-10,12-dienoic acid	1.6104	0.7561	0.6252	1.0167
1,1^-[1,11-Undecanediylbis(oxy)]bisbenzene	1.0820	1.1794	0.7023	1.0726
11beta-Prostaglandin F2alpha	0.7389	0.7774	1.5338	0.8997
11^-Carboxy-gamma-tocotrienol	1.0350	0.5795	1.4509	0.8691
1,1-Dimethyl-4-phenylpiperazinium	1.6245	0.5830	0.7617	1.0618
(11E,13Z)-10-hydroxyoctadeca-11,13-dienoic acid	1.3169	0.5401	1.2086	0.8687
11-hydroxyhexadeca-6,12-dienoic acid	1.4755	0.8090	0.6651	1.1008
1-(1-methylethenyl)-3-(1-methylethyl)-benzene	0.6454	0.9879	1.2909	1.1518
1-(1-Methylethenyl)-4-(1-methylethyl)benzene	1.0252	0.8961	1.0990	0.9595
1-(1-Pyrrolidinyl)-2-propanone	0.6859	1.3932	1.0041	0.8335
(11S,12S,13S)-Epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acid	1.3875	0.7094	0.8852	1.0360
(11Z)-8,18-propano-retinal	1.1852	0.4898	1.3087	1.0326
12,13-DiHODE	1.3764	0.5677	0.9056	1.3006
12,13-DiHOME	1.3765	0.6842	0.9188	1.0410
12(13)Ep-9-KODE	1.2149	0.6806	1.0809	1.0473
12,13-EpOME	1.4332	0.5458	1.0037	1.0346
12(13)-Epoxy-9Z-octadecenoic acid	0.5842	0.9534	1.4117	1.1013
1,2,3,4,5,6-Hexahydro-5-(1-hydroxyethylidene)-7H-cyclopenta[b]pyridin-7-one	1.9146	0.4904	0.4876	1.2148
1,2,3,4,Tetrahydro-1,5,7-trimethylnapthalene	0.6495	1.0380	1.2649	1.0952
1,2,4,5-Tetramethylbenzene	1.3856	0.5098	1.0531	1.1030
1,2,4-Tris(methylene)cyclohexane	1.5233	0.5140	0.9491	1.0273
1,2,5,8,15,19,19-heptamethyl-13,18-dioxopentacyclo[12.8.0.0<2,11>.0<5,10>.0<15 ,20>]docos-11-ene-8-carboxylic acid	1.5450	0.7321	0.6598	1.1262
12alpha-Hydroxy-3-oxochola-1,4-dien-24-oic Acid	0.7160	0.6081	1.6166	1.1187
12-Cytisineacetamide	1.7764	0.5105	0.7256	0.9750
1,2-Diethyl-3-hydroxypyridin-4-one	1.0743	1.0101	0.9089	1.0134
1,2-Dihexanoyl-sn-glycero-3-phosphoethanolamine	0.8454	0.9534	1.1501	1.1022
1,2-Dihydro-1,1,6-trimethylnaphthalene	0.9385	0.9226	1.0928	1.0921
1,2-Dihydronaphthalene	0.9196	0.9199	1.1091	1.1028
1,2-Dihydroxy-3-keto-5-methylthiopentene	1.4068	0.8186	0.8695	0.8103
1,2-dihydroxyheptadec-16-en-4-yl acetate	1.4328	0.5722	0.9702	1.0496
1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline	1.6862	0.6221	0.7225	0.9384
1,2-dipalmitoyl-sn-glycero-3-PC	0.9770	1.1785	1.0117	0.6657
(12E)-9-hydroxyoctadec-12-enoic acid	1.3260	0.4189	1.2127	1.0849
[12-hydroxy-6-(hydroxymethyl)-10-methyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienyl] acetate	0.9286	1.1185	0.9361	1.0336
12-Ketodeoxycholic acid	1.2268	0.7059	0.9810	1.1725
12-Oxodihydrophytodienoic acid	1.2670	0.7260	0.8998	1.2144
(12Z,15Z)-10-hydroxyoctadeca-12,15-dienoic acid	1.4944	0.7537	0.7990	0.9057
1,3,5,11-Bisabolatetraen-10-one	1.0679	0.8600	1.0389	1.0663
1-(3,5-dihydroxyphenyl)-12-hydroxytridecan-2-one	1.0892	0.7013	1.1695	1.0800
13-Docosenamide	0.5340	0.5225	1.9728	0.9416
13-Docosenamide, (Z)-	0.5755	1.1344	0.8535	1.8734
13E,15E,18Z,20Z-pentacosatetraen-11-ynyl acetate	0.9201	1.0783	1.0280	0.9472
13-epi-12-oxo Phytodienoic Acid	0.7582	0.7291	1.4932	1.0392
13-HODE	1.3810	0.5318	1.0255	1.1235
13-HOTrE	1.3134	0.8292	0.9055	0.9036
13^-Hydroxy-alpha-tocotrienol	1.4005	0.3443	1.3760	0.7584
13^-Hydroxy-gamma-tocotrienol	1.7848	0.3555	1.0797	0.5600
13-OxoODE	1.6551	0.6567	0.7263	0.9237
13(S)-HOTrE	1.2214	0.6724	1.0383	1.1359
1,4-dihydroxyheptadec-16-en-2-yl acetate	1.5129	0.5239	1.0158	0.8948
1,4-Methylimidazoleacetic acid	0.9284	1.4353	0.6722	0.9281
15-HETE	1.0154	0.6641	1.3102	1.0207
1,5-Isoquinolinediol	1.1671	0.9909	0.7308	1.2225
15-Ketoprostaglandin F2alpha	1.1365	1.0583	0.7875	1.0354
1,5-Naphthalenediamine	1.3195	0.8693	0.8061	1.0101
15(S)-HETE	1.0139	0.6485	1.3673	0.9408
15(S)-Hydroxyeicosatrienoic acid	1.0250	1.0247	1.1691	0.5623
16-Dehydroepicalcitriol	0.9838	1.2838	0.7464	0.9721
16-Hydroxyhexadecanoic acid	1.1532	0.8373	1.0692	0.8804
17beta-hydroxy-5beta-estran-3-one	1.6340	0.5457	0.7616	1.1175
1,7-Octadiene	1.1836	0.9583	0.8553	1.0057
18a-Glycyrrhetinic acid	1.3297	0.8389	0.8106	1.0416
18-fluoro-9Z-octadecenoic acid	0.3504	1.9577	0.6260	1.1320
1,9-Heptadecadiene-4,6-diyn-3-ol, (3R,9Z)-	0.6993	0.6701	1.8129	0.7966
19(R)-HETE	0.9303	1.0277	1.0195	1.0451
1-(9Z-Octadecenoyl)-sn-glycero-3-phosphocholine	1.0317	1.1195	0.8694	0.9587
1a,1b-dihomo-15-deoxy-δ-12,14-PGD2	1.3091	0.6416	1.0175	1.0635
1-Acetylproline	0.9670	0.7774	1.2319	1.0473
1alpha,23-dihydroxy-24,25,26,27-tetranorvitamin D3 / 1alpha,23-dihydroxy-24,25,26,27-tetranorcholecalciferol	1.6198	0.4176	1.0127	0.8998
1alpha,25-dihydroxy-9,11-didehydro-3-deoxyvitamin D3 / 1alpha,25-dihydroxy-9,11-didehydro-3-deoxycholecalciferol	0.7316	1.3005	1.1211	0.6935
1alpha-hydroxy-22-oxovitamin D3 / 1alpha-hydroxy-22-oxocholecalciferol	0.6906	1.1052	1.1220	1.1645
1alpha-hydroxy-24-oxo-26,27-cyclovitamin D3 / 1alpha-hydroxy-24-oxo-26,27-cyclocholecalciferol	0.9427	1.2752	0.6697	1.2248
1-Amino-2-ethoxybenzene	0.8990	1.0288	1.0098	1.1248
1-Benzylpiperazine	1.3564	0.6440	0.9814	1.0364
1-beta-D-Glucopyranosyl-L-tryptophan	1.2749	0.8171	0.9298	0.9562
1-Carboxyethylvaline	1.3888	0.4466	1.1125	1.1044
1-Deoxy-1-morpholino-D-fructose	0.3391	2.7862	0.2503	0.2488
1-Dodecyl-2-pyrrolidinone	0.8976	1.0356	1.0629	1.0077
1-ethyl-4-(4-methylpiperidyl)-3-nitrohydroquinolin-2-one	2.1128	0.5913	0.4284	0.7348
1-Ethylpiperidine	0.9754	1.0529	0.9841	0.9753
1-Ethylpyrrolidine	1.2210	1.0273	0.7913	0.9208
1-heptadecanoyl-sn-glycero-3-phosphocholine	0.6226	1.5873	0.9253	0.9253
1-Hexadecanoyl-2-Octadecadienoyl-Sn-Glycero-3-Phosphocholine	0.7858	0.8860	1.4630	0.7303
1-Hexadecanoyl-sn-glycero-3-phosphocholine	1.0880	1.2639	0.8277	0.6408
1-Hexadecylamine	0.7909	1.0007	1.3039	0.8092
1H-Imidazole-4-carboxamide	1.2284	0.5499	1.2009	1.0415
1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid	1.2036	0.6079	1.1637	1.0495
1-(hydroxyamino)pentadecan-2-ol	1.3766	0.6248	1.2247	0.5479
1-hydroxyhexanoylglycine	1.2239	0.9544	0.8940	0.8555
1-Hydroxyisoquinoline	1.2325	0.8510	0.9410	0.9511
1-Isothiocyanato-8-(methylsulfinyl)-octane	0.5880	1.2312	1.1502	1.0613
1-Isothiocyanato-9-(methylsulfinyl)-nonane	1.3136	0.5680	1.1331	0.9706
1-L-Leucyl-L-Proline	1.1186	0.9893	0.8951	0.9939
1-Methyl-2-n-hexylbenzene	0.9099	0.8800	1.1888	1.0427
1-methyl-4-(6-methylhept-5-en-2-yl)-2,3-dioxabicyclo[2.2.2]oct-5-ene	1.1057	0.8799	1.1618	0.7052
1-Methyl-4-isobutylbenzene	1.2341	0.7128	1.0407	1.0249
1-Methyladenosine	1.1099	0.7600	1.0916	1.0772
1-Methylcyclohexanol	0.9577	1.0138	1.0296	0.9980
1-Monopalmitin	0.9326	1.2884	1.0282	0.5015
1-Naphthylamine	1.2609	0.7765	0.9689	0.9873
1-Naphthylmethanol	0.9847	1.3207	0.7303	0.9285
1-Octadecanamine	0.8656	0.9446	1.3143	0.7510
1-Oleoyl-Sn-Glycero-3-Phosphocholine	0.9582	1.1781	0.8983	0.9308
1-Palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine	1.3125	0.4449	1.2412	1.0028
1-Palmitoyl-2-oleoyl-sn-glycerol	1.3324	0.7109	1.0278	0.8578
1-Palmitoylphosphatidylcholine	0.9684	1.2623	0.8874	0.7640
1-Palmitoyl-Sn-Glycero-3-Phosphocholine	0.9292	2.9772	0.3549	0.1923
1-Phenyl-1,3-docosanedione	0.8425	0.7370	1.5060	0.7766
1-Phenyl-1,3-dodecanedione	1.2915	0.6770	0.9570	1.1490
1-Phenyl-1-cyclohexene	0.8981	1.0447	0.9088	1.2969
1-Phenyl-1-pentanone	0.9450	1.0654	0.9995	0.9801
1-Phenylheptane	1.1260	0.8576	1.1469	0.7388
1_proprionylpyrrolidine_2_carboxylic_acid	0.9702	0.8953	1.1665	0.9362
1-Pyrroline-5-carboxylic acid	1.0042	1.0684	0.8914	1.0719
1R_2R_5R_hydroxy_3_pinanone	0.9063	0.9385	1.1122	1.0859
(1R,2R,5S,8R,14R,15R,16S)-16-hydroxy-1,2,14,17,17-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.7.0.02,1?.0?,?.01?,1?]icosane-5,15-dicarboxylic acid	0.9941	1.1362	1.0366	0.6662
(1R,3aS,9bS,11aR)-7-hydroxy-1-[(2R,4E)-6-hydroxy-6-methylhept-4-en-2-yl]-3a,6,6,9b,11a-pentamethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-4-one	0.8877	0.7608	1.2969	1.1092
(1R,3aS,9bS,11aR)-7-hydroxy-1-[(2R)-4-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9b,11a-pentamethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-4-one	1.5846	0.4178	1.0045	0.9861
(1R,4aS,5R,8aS)-5-(5-hydroxy-3-methylpentyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid	1.7067	0.5929	0.6960	1.0090
(1R,4R)-Dihydrocarvone	1.0596	0.9862	0.9062	1.0961
(1R,4S)-1-methyl-4-((E)-pent-2-en-4-yn-1-yl)octahydro-2H-quinolizine	0.8093	0.9419	1.2642	0.9693
(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,?.02,?.01?,1?]nonadec-18-en-13-ol	0.6066	0.8116	1.5342	1.0951
(1S,2S,6R,7R,9R)-6-methyl-10,12-dioxatricyclo[7.2.1.0<2,7>]dodec-4-en-8-one	0.8850	1.1140	0.9945	1.0130
1-Stearoyl-2-Arachidonoyl PC	1.2575	0.9782	0.9662	0.5961
1-Stearoyl-2-hydroxy-sn-glycero-3-phosphocholine	0.9118	1.3465	1.1819	0.1196
1-Stearoyl-Sn-Glycerol-3-Phosphocholine	0.9772	1.3528	0.9164	0.5073
(1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid	1.2050	0.7771	1.0112	1.0133
(20S,22E)-3beta-Hydroxychola-5,16,22-trien-24-oic Acid	1.1960	1.0031	0.8402	0.9213
21-Hydroxydydrogesterone	0.6181	2.0439	0.6039	0.4682
2,2,4,4,6,6-Hexamethyl-1,3,5-trithiane	0.8591	1.1680	1.0269	0.8921
2,2^-[(4-Methylphenyl)imino]diethanol	1.3584	0.7822	0.8936	0.9316
2,2,6,6-Tetramethylpiperidine	0.9853	0.6939	1.3457	0.9502
22-Dehydroclerosterol	0.7713	0.9163	1.2231	1.1787
(22E)-1alpha,3beta-Dihydroxychola-5,16,22-trien-24-oic Acid	1.4126	0.7320	0.8231	1.0648
(22E)-(24R)-1alpha,24-dihydroxy-26,27-cyclo-22,23-didehydro-20-epivitamin D3 / (22E)-(24R)-1alpha,24-dihydroxy-26,27-cyclo-22,23-didehydro-20-epicholecalciferol	0.4673	1.3992	1.3034	0.4381
(22E)-(24R)-1alpha,24-dihydroxy-26,27-cyclo-22,23-didehydrovitamin D3 / (22E)-(24R)-1alpha,24-dihydroxy-26,27-cyclo-22,23-didehydrocholecalciferol	1.3947	0.9006	0.6795	1.0504
(22E,24R)-Stigmasta-4,22-diene-3,6-dione	0.9370	0.8826	1.2071	0.9466
2-(2-Hydroxy-4-methylphenyl)-3-pentanone	1.1046	0.8371	1.0323	1.0519
(±)-2,2^-Iminobispropanoic acid	0.9965	0.9949	1.0005	1.0163
23,24-didehydro-25-hydroxyvitamin D3 / 23,24-didehydro-25-hydroxycholecalciferol	0.7460	1.1268	1.1431	0.9682
2-[3-Carboxy-3-(methylammonio)propyl]-L-histidine	0.9676	1.4696	0.7155	0.6946
2,3-Dihydro-6-methyl-1H-pyrrolizine-5-carboxaldehyde	1.1573	1.0875	0.7629	0.9846
2,3-Dihydro-6-methyl-5-(5-methyl-2-furanyl)-1H-pyrrolizine	2.1279	0.2808	0.5835	1.0158
2,3-dihydroxypropyl 13-methyltetradecanoate	0.7540	0.6493	1.6160	0.8445
2,3-dihydroxypropyl hexadecanoate	0.9578	0.7552	1.1572	1.2596
2,3-dinor-PGE1	1.0199	0.7083	1.2618	1.0200
2,4,12-Octadecatrienoic acid isobutylamide	0.3569	0.5776	2.1116	0.5680
24,25-hydroxyvitamin D3	0.7457	1.4146	0.8155	1.0483
2,4,6-Triethyl-1,3,5-trithiane	0.5495	1.2689	1.1812	1.0007
2,4,6-Tris(2-pyridyl)-s-triazine	1.1368	0.8242	1.0922	0.8935
2-[4-(diethylamino)phenyl]-6-hydroxy-3-azabicyclo[4.4.0]dec-3-yl 2-methoxyphen yl ketone	0.5394	1.3809	1.1367	0.8859
2,4-dihydroxyheptadecyl acetate	1.0919	0.5065	1.4679	0.8673
2,4-Dodecadienoic acid, 11-methoxy-3,7,11-trimethyl-, 1-methylethyl ester, (2Z,4E,7S)-	1.1191	0.5974	1.2860	0.8607
2,4-Hexadien-1-ol	0.9306	1.1911	0.8351	1.0633
24-Norursa-3,12-dien-11-one	0.8433	0.4409	1.6335	1.1646
24-Norursa-3,12-diene	0.9215	0.7917	1.3726	0.8285
24-Norursa-3,9(11),12-triene	0.3463	1.2844	1.6636	0.6010
2,4-Pentanedione	1.1146	0.9366	0.9969	0.9039
2-((4R)-4-((3R,5R,6S,7S,9S,10R,13R,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid	1.0789	1.1523	0.7501	1.0375
2-((4R)-4-((5R,7R,8R,9S,10S,12S,13R,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid	1.2004	0.9847	0.7905	1.0488
2-((4R)-4-((5S,9S,10S,12R,13R,14S,17R)-12-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid	0.8368	1.7684	0.6952	0.3990
25(27)-Dehydroporiferasterol	0.7623	0.3296	1.7458	1.3246
2-(5,8-Tetradecadienyl)cyclobutanone	1.0682	0.6344	1.3581	0.8785
2,5-Diamino-2-methylpentanoic acid	0.8308	0.9351	1.1135	1.2413
2,5-Diethyl-3-methylpyrazine	1.4948	0.7655	1.0977	0.2840
2,5-Dihydro-2,4,5-trimethyloxazole	1.1473	0.9179	0.9113	1.0469
2,5-Dihydro-2,4-dimethyloxazole	0.7560	1.8865	0.5546	0.6057
2,5-Diisopropylphenol	1.3677	0.5750	0.9423	1.2301
25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / 25-hydroxy-16,17,23,23,24,24-hexadehydrocholecalciferol	0.5656	1.1373	1.3041	0.9859
25-hydroxy-16,17,23,24-tetradehydrovitamin D3 / 25-hydroxy-16,17,23,24-tetradehydrocholecalciferol	0.7762	1.0434	1.1710	1.0188
25-hydroxy-16,17-didehydrovitamin D3 / 25-hydroxy-16,17-didehydrocholecalciferol	0.7285	1.3028	0.9292	1.0790
25-hydroxy-1-oxo-3-epiprevitamin D3 / 25-hydroxy-1-oxo-3-epiprecholecalciferol	0.8361	1.1089	0.9549	1.2001
25-hydroxy-23,23,24,24-tetradehydrovitamin D3 / 25-hydroxy-23,23,24,24-tetradehydrocholecalciferol	0.8657	1.1930	0.9088	1.0652
25-hydroxy-23-oxovitamin D3 / 25-hydroxy-23-oxocholecalciferol	0.8432	1.0817	1.0576	1.0352
25-Hydroxycholesterol	0.3745	1.1867	1.4672	0.9431
2-[6-(diethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol	0.8212	0.9553	1.1620	1.1230
2,6-Dimethyl-4-hydroxybenzaldehyde	1.0193	0.8826	1.1917	0.8128
2-Acetamidophenol	0.8391	0.8179	1.2068	1.2723
2-Acetyl-1,5,6,7-tetrahydro-6-hydroxy-7-(hydroxymethyl)-4H-azepine-4-one	1.1353	0.7221	1.1132	1.0587
2-Acetylpyrrolidine	0.9728	0.9564	1.0047	1.1322
2-Amino-3,8-dimethyl-3H-imidazo[4,5-f]quinoxaline	1.2372	0.7104	1.0441	1.0165
2-Amino-4-methylpentanoic acid	1.1949	0.9724	0.8836	0.8982
2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid	0.8981	0.9712	1.1400	0.9813
2-Aminoethyl oleate	1.0138	0.6518	1.3986	0.8715
2-benzyl-1-methyl-5-nonylpyrrolidin-3-ol	0.1347	1.0125	1.8456	1.0143
2beta,3beta-Dihydroxy-6-oxo-5alpha-chol-7-en-24-oic Acid	0.7675	0.9764	1.2937	0.9247
2-Butanone, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-	0.7849	0.7571	1.4769	0.9623
2-(-)-Carvone	1.1059	0.7601	1.1499	0.9682
2^-deoxyadenosine	1.4781	0.5193	0.9753	1.0547
2-Deoxyguanosine	1.2196	0.5043	1.2065	1.1392
2^-Deoxyinosine	0.8254	0.8282	1.3205	1.0519
(2E,4E)-12-hydroxy-13-(hydroxymethyl)-3,5,7-trimethyltetradeca-2,4-dienedioic acid	1.0693	0.5635	1.3974	0.9397
(2E,4Z)-2,4-nonadienal	0.9367	1.1647	0.9335	0.9301
(2E,6E)-1-Hydroxy-2,6,10-farnesatrien-9-one	1.0191	0.9016	1.0234	1.1120
(2E,6E)-2,6-Nonadienal	1.0092	0.9823	1.0367	0.9435
[(2E,6Z,10Z)-7,11-bis(acetyloxymethyl)-3,15-dimethylhexadeca-2,6,10,14-tetraenyl] acetate	0.9877	1.0900	0.9743	0.8960
2-Ethyl-3,4-dihydroxyfuran	1.0851	0.9839	0.9865	0.8889
2-(ethylamino)-4^-hydroxy-Propiophenone	1.3753	1.0371	0.7864	0.6024
2-Ethylhexyl 4-(dimethylamino)benzoate	1.4616	0.6145	0.8973	1.0531
2-Heptanone	1.1116	1.0290	0.9476	0.8236
2-Hepten-4-yn-1-amine, N,6,6-trimethyl-, (E)- Metabolite	0.9040	0.9871	1.0269	1.1641
2-heptylhexanedioic acid	0.9617	1.0815	0.9431	1.0273
2-Hexenal	1.0567	0.8771	1.0686	0.9950
2-Hexenoylcarnitine	1.0316	1.0380	0.9604	0.9400
2-Hydroxy cinnamic acid	1.2850	1.1408	0.5554	1.0377
2-Hydroxycinnamic acid	1.1767	0.7763	0.9853	1.1233
2-Hydroxyquinoline	1.4430	0.8629	0.6481	1.0921
2-isopentyl-3,6-dimethyl pyrazine	1.1843	0.7699	1.0519	0.9878
2-isopropyl-5-methylfuran	1.0697	0.8635	1.0114	1.1108
2-Isopropyl-6-methyl-4-pyrimidone	0.8669	0.6005	1.7056	0.6540
2-isopropylcyclopentanone	1.0838	0.7899	1.0349	1.1827
2-Isopropylphenyl methylcarbamate	0.8323	0.9562	1.1668	1.0894
2-Keto-6-acetamidocaproate	1.0166	0.9251	1.0271	1.0622
2-Methoxy-5-prop-1-enylphenol	1.0075	1.0240	1.0445	0.8481
2-Methyl-1,3-cyclohexadiene	1.0775	1.1176	0.8067	0.9965
2-methyl-2-(3-pentadecylphenoxy)propanoic acid	0.8446	1.4023	0.7370	1.0322
2-Methyl-2-pentenal	0.8213	1.1090	1.0780	0.9836
2-Methyl-3-methoxy-4-phenylbutyric acid	1.3628	0.7846	0.8208	1.0636
2-methyl-3-Pyrimidin-2-yl-Propionic Acid	1.2255	1.2378	0.5388	0.9957
2-Methylimidazole	0.9671	1.1323	1.0203	0.7606
(±)-2-Methylthiazolidine	1.3539	0.9120	0.7994	0.8693
2-Methylthio-N6-(delta2-isopentenyl)adenosine	1.1335	0.6830	1.1402	1.0865
2-Octen-4-one	0.8688	1.3046	1.1333	0.5400
2-octyltridecanedioic acid	1.1034	0.8847	1.0108	1.0023
2-Oxovaleric acid	0.9191	0.9796	1.1445	0.9138
2-Pentyl-3-phenyl-2-propenal	0.8806	0.5899	1.2037	1.3782
2-pentyl-6-propylpiperidin-4-ol	0.9441	0.8124	1.2411	1.0048
2-Phenyl-1,3-propanediyl monocarbamate	1.6176	0.6308	0.7297	1.0440
2-Phenylethanol	1.1125	0.8829	1.0111	0.9869
2-Phenylethyl hexanoate	1.0538	0.7116	1.1810	1.1074
2-Piperidone	1.5070	1.0050	0.4673	1.0413
2-Propylisonicotinic acid	1.6554	0.5329	0.9919	0.6395
2-Pyrrolidinone, 1-methyl-	0.9854	0.9708	1.0192	1.0493
2-Pyrrolidone-5-carboxylic acid, methyl ester	1.2362	0.8692	0.8513	1.0866
(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid	1.0362	0.8428	1.0871	1.0680
(2R)-2-[[(2S,3R)-3-Amino-2-hydroxy-4-phenyl-butanoyl]amino]-4-methyl-pentanoic acid	2.1928	0.3352	0.3643	1.2154
(2R)-2,8-Dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-ol	1.1621	0.9581	1.3448	0.0702
(2R)-2-Amino-6-[[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]amino]hexanoic acid	1.1629	0.9246	0.8395	1.1458
(2R,2aR,2^R,4R,5R,5^R,6aR,8aS,8bR,9S,11aS,12bS)-5^,6a,8a,9-tetramethyldocosahydrospiro[naphtho[2^,1^:4,5]indeno[2,1-b]furan-10,2^-pyran]-2,2a,4,5-tetraol	0.6163	0.7594	1.7524	0.7438
(2R)-2-Hydroxy-2-methylbutanenitrile	0.4385	0.9742	1.6670	0.8407
(2R,3R)-2-Aminooctadecane-1,3-diol	0.9613	0.6031	1.4207	1.0297
(2R,3R,6R)-3-hydroxy-2-methyl-6-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptanoic acid	0.9755	1.1766	0.7956	1.1047
(2R,3R,6R)-6-((3R,5S,7R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-3-hydroxy-2-methylheptanoic acid	0.9875	1.1239	0.8989	0.9793
(2R,3S)-1-[(7-Methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol	1.5197	0.3961	0.9888	1.1907
(2R,3S,6R)-3-hydroxy-2-methyl-6-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptanoic acid	1.1699	0.9787	0.8371	1.0287
2-((R)-4-((3R,5S,7S,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid	1.3893	1.0828	0.4771	1.1016
(2^R,4R,5^R,6aR,6bS,8aS,8bR,9S,11aS,12aR,12bS)-5^,6a,8a,9-tetramethyl-1,3,3^,4,4^,5,5^,6,6a,6b,6^,7,8,8a,8b,9,11a,12,12a,12b-icosahydrospiro[naphtho[2^,1^:4,5]indeno[2,1-b]furan-10,2^-pyran]-4-ol	0.9090	0.9466	1.2728	0.7433
(2R,5S)-2-(6-Aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol	0.3714	0.4382	2.1735	1.0338
2R-hydroxy-oleic acid	1.4392	0.5100	0.9714	1.1588
(2S)-2-(4-Chloroanilino)propanoic acid	1.2361	0.7986	0.9487	1.0333
(2S,2^S)-Pyrosaccharopine	0.8502	1.1162	0.9031	1.2609
(2S,3S,7S,10S)-3,7,10-trimethyldodecahydrocyclopenta[b]quinolizine-2-carbaldehyde	1.0799	0.9366	1.0342	0.8775
(2S,4R)-p-Mentha-1(7),5-dien-2-ol acetate	1.2092	0.7405	1.1031	0.8945
(2S,6R,7S,8S)-2-allyl-7-(but-3-en-1-yl)-1-azaspiro[5.5]undecan-8-ol	1.0929	0.7757	1.1628	0.9371
(2Z)-2-[(E)-6-(hydroxymethyl)-2,4,8,10-tetramethyldodec-2-enylidene]-4-methylpentanedioic acid	1.7605	0.4017	0.8350	1.0055
3-(2,4-Dihydroxyphenyl)propanoic acid	1.0445	1.3410	0.8536	0.5218
3-(2-methylpropyl)-3a,4,5,6-tetrahydro-2-benzofuran-1(3h)-one	1.3243	0.5653	1.0597	1.1014
3-[[(2S)-2,4-Dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid	0.9737	0.7920	1.2533	0.9619
3,3^,5,5^-Tetramethylbenzidine	1.0802	0.6682	1.2234	1.0566
3,3^-Iminodipropionitrile	1.1009	0.9140	1.0596	0.8511
3-[4-Methyl-1-(2-Methylpropanoyl)-3-Oxocyclohexyl]Butanoic Acid	1.2720	0.8027	0.9522	0.9463
3,5,5-Trimethyl-3-cyclohexen-1-one	1.0741	0.8522	1.0690	1.0093
3,5-dimethoxyphenyl 4-(phenylcarbonyl)piperazinyl ketone	1.2272	0.8796	0.9438	0.8987
3, 5-Tetradecadiencarnitine	0.6772	2.3698	0.2493	0.8640
3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolyl)propan-1-ol	0.7421	0.9985	1.3959	0.7268
3,7-dimethyl-6-octenyl acetate	0.9076	1.9147	0.2344	0.8866
3a,7a-Dihydroxycholanoic acid	1.0282	0.8311	0.9647	1.3521
3a-hydroxy-5b-cholan-24-oate	0.9483	0.9424	1.1027	1.0133
3alpha,12alpha-Dihydroxy-5beta-chola-7,14-dien-24-oic Acid	1.0502	0.7655	1.2255	0.9177
3alpha,12alpha-Dihydroxy-5beta-chola-7,9(11)-dien-24-oic Acid	1.1011	0.5136	1.3665	1.0376
3alpha,12alpha-Dihydroxy-6-oxo-5beta-chol-7-en-24-oic Acid	0.8452	0.8394	1.3131	1.0045
3alpha,12beta-Dihydroxy-5alpha-cholan-24-oic Acid	0.3104	1.0624	1.4732	1.3080
3.alpha.,7.alpha.,12.alpha.-Trihydroxycholestanoic acid	0.8028	1.4026	0.7492	1.0908
3alpha-Hydroxy-12-oxo-5beta-chola-7,9(11)-dien-24-oic Acid	0.7327	0.8496	1.4064	1.0226
3alpha-Hydroxy-15-oxo-5beta-chol-8-en-24-oic Acid	0.8203	0.8262	1.3188	1.0695
3alpha-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid	1.1567	0.7965	1.0192	1.0551
(3aS,5R,5aS,8aS,9aR)-5,8a-dimethyl-1-methylidene-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,7-b]furan-2,8-dione	1.8982	0.3386	1.1677	0.1911
(3beta,5alpha,6alpha,7alpha,22E,24R)-5,6-Epoxyergosta-8,14,22-triene-3,7-diol	0.7706	0.4342	1.9794	0.6317
3beta,7alpha-Dihydroxy-12-oxo-5alpha-cholan-24-oic Acid	0.7862	0.7222	1.5186	0.9459
3-beta-Hydroxy-4-beta-methyl-5-alpha-cholest-7-ene-4-alpha-carbaldehyde	1.3416	0.9868	0.9900	0.3630
3-beta-Hydroxy-4-beta-methyl-5-alpha-cholest-7-ene-4-alpha-carboxylate	0.9671	0.8498	1.4002	0.5659
3beta-Hydroxy-5alpha,6alpha-epoxy-9-oxo-9,10-seco-5-cholest-7-en-11-al	1.1484	0.9184	1.0360	0.7942
3.beta.-Hydroxy-5-cholenoic acid	0.9363	0.9104	1.1062	1.0942
3-ethyl-4-hydroxy-5,7-dimethylhydroquinolin-2-one	1.1471	0.8266	1.0743	0.9040
3-Heptylpyridine	0.5469	1.1046	1.3440	1.0091
3-hexenedioic acid	0.9753	0.9067	1.1624	0.9113
3h-Sialic acid	0.8085	0.9923	1.0653	1.2676
3-Hydroxy-11Z-octadecenoylcarnitine	0.6647	2.0222	0.7280	0.5110
3-Hydroxy-4-methoxycinnamic acid	1.2413	0.7674	1.0513	0.8801
3-Hydroxy-4-(Succin-2-Yl)-Caryolane Delta-Lactone	1.4762	0.9022	0.9563	0.3305
3-hydroxy-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-2-carboxylic acid	1.0812	0.5753	1.2113	1.1229
3-Hydroxy-9Z-octadecenoylcarnitine	0.1722	3.2284	0.4467	0.3371
3-Hydroxybenzyl alcohol	1.0154	0.8871	1.0962	1.0025
3-Hydroxy-cis-5-tetradecenoylcarnitine	0.9091	1.6315	0.7456	0.4276
3-Hydroxykynurenamine	1.3029	1.1200	0.9327	0.2889
3-Hydroxy-N,N,N-trimethyl-1-propanaminium chloride	1.3905	1.0263	0.5897	0.9871
3-Hydroxyoctadecanoylcarnitine	0.8328	1.3959	0.9214	0.6999
3-Hydroxyquinolin-2(1h)-One	1.4257	0.9960	0.6126	0.9314
3-hydroxytetradeca-5,8,11-trienoic acid	1.3744	0.5052	1.0870	1.0670
3-hydroxytetradeca-6,8,10-trienoic acid	1.0562	0.8227	1.0583	1.1254
3-isobutyl-6-(1-hydroxy-2-methylpropyl)-2(1H)-pyrazinone	1.4228	0.9612	0.7214	0.9043
3-ketosphinganine	0.6900	1.6284	0.8137	0.7358
3-Methyl-1-pentyn-3-ol	1.2385	1.0012	0.8006	0.9194
(3-Methyl-2-butenyl)-benzene	0.9951	0.9640	1.0421	0.9975
3-Methyl-2-Oxindole	1.2626	1.4371	0.2753	1.0501
3-Methylbenzyl alcolhol	0.9723	0.9630	1.0522	1.0251
3-Methylbutylamine	0.4440	0.9756	1.7133	0.7341
3-Methylcytidine	0.8859	0.7956	1.1455	1.3460
3-Methyldioxyindole	1.4572	0.5713	0.7721	1.3989
3-O-Acetyldiosgenin	0.8722	0.8546	1.2274	1.0915
3-(Octyloxy)propan-1-amine	1.0463	1.0183	0.9639	0.9430
3-Oxo-2-(2-entenyl)cyclopentaneoctanoic acid	1.5125	0.6105	0.9021	0.9499
3-Oxo-5beta-chola-7,11-dien-24-oic Acid	0.7042	1.2219	0.9844	1.1790
3-Oxo-5beta-chola-7,9(11)-dien-24-oic Acid	0.9270	1.3073	0.7909	0.9495
3-Oxo-5beta-chola-8(14),11-dien-24-oic Acid	0.9209	1.0302	1.0855	0.9267
3-Oxobutanoylcarnitine	1.1369	0.5998	1.2533	1.0200
3-Oxocholic acid	1.3572	0.7106	0.7830	1.2983
3-Oxohexadecanoic acid	1.2610	0.7384	0.9599	1.0812
3-Palmitoyl-sn-glycerol	1.1318	1.4456	0.5836	0.6781
3-Polyprenyl-4-hydroxy-5-methoxybenzoate	1.1881	0.8967	0.8763	1.0779
3-Propyl-1H-pyrazole	0.9496	1.0463	1.0098	0.9887
3-propyl acrolein	1.0219	1.0120	0.9273	1.0776
(3R)-3-((3R,5R,6S,8S,9S,10R,13R,17R)-3,6-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)butanoic acid	0.8998	0.9206	1.1342	1.0909
(3R)-3-((3R,5S,7R,8R,9S,10S,13R,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)butanoic acid	0.9199	0.9439	1.0394	1.1937
(3R)-3-((3R,5S,7R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)butanoic acid	1.0695	1.1789	0.7018	1.0994
(3R,5S,7R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol	1.0543	0.6662	1.2252	1.1088
(3S,4R,8S,10R,13R)-10,13-Dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol	0.6237	0.7922	1.6249	0.9183
(3S,5S)-3,5-Diaminohexanoate	0.6531	1.1635	1.1968	0.9732
(3S,5S,5aR,8aR)-3,5,7-trimethyl-2,2a,3,4,5,5a,6,8a-octahydro-1H-pyrrolo[2,1,5-de]quinolizine	0.6323	1.0331	1.3206	1.0280
3S,7,11-Trimethyl-6,10-dodecadienoic acid	1.5309	0.4034	1.0415	1.0483
4-(1,3-Dihydroxy-4,4,5,5-tetramethyl-imidazolidin-2-yl)benzoic acid	0.9844	1.3313	0.7916	0.7852
4,1-Benzoxazepine	1.3235	0.6041	1.0271	1.0906
4-[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]butanoic acid	0.5046	1.0832	1.3914	1.0418
4-(2,5-Diethoxy-4-nitrophenyl)morpholine	1.2375	1.1671	0.5471	1.0965
4-(2-Aminophenyl)-2,4-dioxobutanoic acid	1.1327	0.7855	1.0489	1.0658
4-[3]-ladderane-butanoic acid	1.0684	0.8145	1.0357	1.1627
4-(3-Pyridin-2-yl-[1,2,4]oxadiazol-5-yl)-butyric acid	1.1222	0.7105	1.1688	0.9969
4,4alpha,5,6-Tetrahydro-7-methyl-2(3H)-naphthalenone	1.4760	0.4784	0.9935	1.1043
4,4-dimethyl-14alpha-formyl-5alpha-cholesta-8,24-dien-3beta-ol	0.4246	1.8714	0.7941	0.8498
4,4-Dimethylcholesta-8,14,24-trienol	1.0469	0.5681	1.4435	0.8830
4,5-(methanoxyethano)isolongifol-4-ene	1.0993	0.8355	1.0525	0.9706
4,6,7-Trihydroxy-1,2,3,4-tetrahydroisoquinoline	0.5004	1.3335	0.8169	1.6982
4,6-Dihydroxyquinoline	1.1002	0.7901	1.0813	1.0568
4,8,12,15-Octadecatetraenoic acid	1.5099	0.6614	0.8570	0.9433
4,8-Dimethyl-3,7-nonadien-2-one, cis-	1.3029	0.8008	0.9242	0.9440
4a-Carboxy-4b-methyl-5a-cholesta-8,24-dien-3b-ol	0.9764	0.6991	1.3154	1.0183
4-acetamidobutanoate	1.0443	0.9796	0.9374	1.0775
4alpha-hydroxymethyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol	0.8980	1.1166	1.1797	0.6112
4alpha-Hydroxymethyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol	0.7195	0.9974	1.3787	0.8088
4a-Methylzymosterol-4-carboxylic acid	0.8568	0.5643	1.6345	0.7437
4-Aminobenzoic acid	1.0878	0.8833	0.9950	1.0678
4-(Butylamino)benzoic acid	0.8827	1.1478	0.9668	1.0054
4-Deoxypyridoxine	1.0738	0.8785	0.9453	1.2048
(4E,14Z)-2-Aminooctadeca-4,14-diene-1,3-diol	1.2239	0.9571	1.0354	0.7022
(4E,7E,10E,13E)-Hexadeca-4,7,10,13-tetraenoic acid	1.1971	0.6722	1.0984	1.0645
(4E,8E,10E-d18:3)sphingosine	1.6811	0.2082	1.5277	0.4952
4-Ethoxy-4-oxobut-2-enoic acid	1.0152	0.9794	1.0681	0.8745
4-Ethoxybenzaldehyde	1.0505	0.6340	1.5241	0.5829
(4-formyl-9-methoxy-5-methylbenzo[f][1]benzofuran-3-yl)methyl acetate	0.6039	1.1240	1.2512	1.0420
[4]-Gingerdiol	1.4571	0.9790	0.5613	1.0052
4-Heptanone	0.7748	1.4470	0.9409	0.6746
4-Hexyloxyaniline	0.8907	0.7929	1.2891	1.0545
4-Hydroxy-1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidine	1.1207	0.8236	1.0958	0.9197
4-Hydroxy-6-Methyl-2-Pyrone	0.9985	1.1366	1.1110	0.3299
4-Hydroxy-6-Methylpyran-2-One	1.1003	1.0338	0.9707	0.7902
4-Hydroxybenzaldehyde	1.1500	0.6677	1.1174	1.1298
4-hydroxyestradiol	1.3557	1.2084	0.6256	0.6206
4-hydroxysphinganine	1.0223	0.9227	1.0304	1.0492
4-Methoxybenzyl chloride	1.2510	0.9126	0.8742	0.9245
4-methyl-3^-(4-methyl-5-oxooxolan-2-yl)-octahydrospiro[oxolane-2,9^-pyrrolo[1,2-a]azepin]-5-one	0.9903	0.8657	1.1289	1.0300
4-Methyl-3-penten-2-one, 9CI	1.0024	0.5707	1.2562	1.3414
4-Methyl-4-penten-2-one	0.9833	1.0134	1.0001	1.0062
4-Methylethcathinone	1.1154	0.8865	1.0461	0.9039
4-Methylpentanoylcarnitine	1.2411	1.1086	0.6895	0.9217
4-oxo-2-Nonenal	1.1000	0.8610	0.9915	1.0949
4-Pentylaniline	0.5250	1.1023	1.3546	1.0364
4.Phaeophorbide a	0.3639	0.9198	1.7922	0.3707
4-Piperidinemethanol, a,a-diphenyl-	2.1624	0.2871	0.5641	0.9729
4-Piperidinol, 1-hydroxy-2,2,6,6-tetramethyl-	1.9063	0.6835	0.5672	0.6861
4-Pyridoxate	1.1214	0.7843	1.0532	1.0821
4-Pyridoxic acid	1.2013	0.6816	1.1034	1.0273
4-Quinolinecarboxylic Acid	1.0192	0.6732	1.2505	1.1140
4-(quinuclidin-2-ylmethyl)benzene-1,2-diol	1.9076	0.4777	0.6285	0.9726
(4R)-4-((1R,3S,5S,7R,9S,10S,12S,13R,14S,17R)-1,3,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	1.5395	0.6133	0.7530	1.1883
(4R)-4-((2S,3S,5R,7R,9S,10S,12S,13R,14S,17R)-2,3,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	0.8688	2.4002	0.3219	0.7518
(4R)-4-((3R,5R,6R,7R,8S,9S,10R,13R,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	0.8521	0.9967	1.0357	1.2310
(4R)-4-((3R,5R,6R,7R,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	0.7208	1.0396	1.2180	1.0434
(4R)-4-((3R,5R,6S,7R,9S,10R,12S,13R,14S,17R)-3,6,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	0.9627	0.6236	1.4436	0.9403
(4R)-4-((3R,5R,6S,7R,9S,10R,12S,13R,17R)-3,6,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	0.7104	1.1365	1.0895	1.1274
(4R)-4-((3R,5R,6S,7R,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	0.8654	0.9218	1.1563	1.1129
(4R)-4-((3R,5R,6S,7S,9S,10R,13R,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	1.1098	0.9621	0.9329	0.9905
((4R)-4-((3R,5R,7R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)lysine	0.4710	2.2521	0.5431	0.7327
(4R)-4-((3R,5S,6R,7R,9S,10R,12S,13R,14S,17R)-3,6,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	1.0388	1.0886	0.8460	1.0532
(4R)-4-((3R,5S,7S,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	0.6863	1.0544	1.0496	1.4194
(4R)-4-((3R,5S,7S,9S,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	0.6597	1.4481	0.7770	1.2304
(4R)-4-((3S,5S,7S,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-12-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	1.1179	0.5200	1.3464	1.0315
(4R)-4-((5S,7R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	1.0647	1.0950	1.0995	0.4817
(4R,E)-4-((3R,5R,6S,7R,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pent-2-enoic acid	0.3270	2.3804	0.4139	0.7573
4-Vinylphenol	1.1231	0.9971	1.0611	0.6373
(4Z)-Tetradec-4-enoylcarnitine	0.5655	2.0490	0.3824	1.0062
5-(1-oxopropan-2-yl)isolongifol-5-ene	2.1101	0.4161	0.4631	1.0213
5-(2^-Carboxyethyl)-4,6-Dihydroxypicolinate	0.4463	2.0911	0.5817	0.7619
5-(3-Pyridyl)-2-hydroxytetrahydrofuran	1.2602	0.8096	0.9055	1.0493
5-5^-Dehydrodiferulic acid	1.0491	1.0749	0.9542	0.8436
5,5-Dimethyl-2-phenylmorpholine	1.1792	0.9965	0.8903	0.8679
5,6-dihydrothymine	0.9513	1.2100	0.9770	0.7235
5.6-dimethoxy-3-methyl-2- hydroxypropylpyridin-4-ol	1.2143	0.7074	1.1204	0.9156
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one	1.7444	0.9896	0.2027	1.1265
5,8,11-Eicosatrienoic acid	1.1170	0.8686	1.1453	0.7382
5-Acetamidovalerate	1.3059	0.5111	1.1481	1.0699
5-Acetyl-2,4-dimethyloxazole	1.0585	0.8027	1.1252	1.0271
5alpha-Stigmastan-3,6-dione	0.6978	0.8925	1.4286	0.9623
5^-Amino-5^-deoxyadenosine	1.6806	0.4547	0.8740	0.9814
5-Aminolevulinic acid	1.2898	0.7181	1.1835	0.6172
5-Aminopentanoate	1.6160	0.9802	0.4749	0.8578
5-Aminovaleric acid	1.0873	0.8428	1.0483	1.0432
5beta-Chola-3,8(14),11-trien-24-oic Acid	0.9105	0.9432	1.0916	1.1093
5beta-Cholestane-3alpha,7alpha,12alpha,26-tetrol	1.0365	0.4467	1.6224	0.6517
5beta-Cholestane-3alpha,7alpha,26-triol	1.2579	0.3423	1.4949	0.5433
5-Butyl-3,4-dimethyl-2-furannonanoic acid	0.6041	0.3537	2.3254	0.4335
5-Butyl-4-hydroxy-3-methyl-6-(3-methyl-2-buten-1-yl)-2(1H)-pyridinone	2.0681	0.3553	0.6781	0.7968
5^-Deoxyadenosine	1.5277	0.4699	0.9688	1.0672
5-Ethyl-2-methylthiazole	1.1740	1.1234	0.8754	0.6545
5-Hydroxy-2-(1-hydroxy-5-methyl-4-hexenyl)benzofuran	0.7287	0.9110	1.3157	1.0892
5-Hydroxy-3,4-dihydrocarbostyryl	1.3951	0.5942	0.7571	1.5071
5^-Hydroxy-3^-methoxysativan	1.2856	0.6457	0.9885	1.1603
5-hydroxycalamenene	0.5182	1.2232	1.2657	0.9859
5-hydroxyculmorin	0.9169	0.9633	1.2672	0.6807
5-(hydroxyimino)-2,15-dimethyltetracyclo[8.7.0.0<2,7>.0<11,15>]heptadecan-14-o l	0.9342	0.8462	1.1941	1.0511
5-Hydroxyindole-2-carboxylic acid	1.2244	0.6996	1.0111	1.1298
5-Hydroxyindole-3-acetic acid	1.1859	0.6652	1.1172	1.0634
5-Hydroxykynurenamine	0.9841	0.9946	1.1054	0.8318
5-Hydroxy-L-tryptophan	1.2328	0.4111	1.8335	0.6492
5-Hydroxymaltol	1.4418	0.8411	0.8008	0.8326
5-Hydroxyoxindole	0.8309	0.9008	1.4451	0.6463
5-hydroxytrideca-7,9-dienoic acid	1.5361	0.5734	0.8620	1.0571
5-Hydroxytryptophol	1.0100	0.5188	1.3693	1.2038
5-keto stearic acid	1.1613	0.5504	1.3042	0.9682
5-Methoxytryptophan	1.3871	0.7033	0.8943	1.0305
5-Phosphoribosylamine	1.0634	0.7771	1.1405	1.0380
(5R)-5-((3R,5S,7R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)hexanoic acid	0.7821	0.6435	1.6013	0.9463
(5R,8R)-5-((E)-but-2-en-1-yl)-8-propyl-1,2,3,5,8,8a-hexahydroindolizine	0.6445	1.0463	1.3000	1.0184
(5R,8R)-5-((E)-hepta-4,6-dien-1-yl)-8-methyloctahydroindolizine	1.0000	0.8493	1.1552	0.9909
5(Z),11(Z),14(Z)-Eicosatrienoic acid	0.3945	1.9734	1.0386	0.8359
(5Z)-4,4-difluoro-1alpha,25-dihydroxyvitamin D3 / (5Z)-4,4-difluoro-1alpha,25-dihydroxycholecalciferol	1.0915	0.5445	1.3947	0.9387
(5Z)-7-[(1R)-2-[(1E,3S)-3-Hydroxyoct-1-en-1-yl]-5-oxocyclopent-2-en-1-yl]hept-5-enoylcarnitine	0.4374	0.7678	1.7441	1.1015
(5Z,7E)-9,10-Seco-5,7,10(19)-cholestatriene	1.3025	0.6810	1.0791	0.8746
5(Z),8(Z),11(Z)-Eicosatrienoic acid methyl ester	0.9505	0.8094	1.3359	0.8084
6,11-dioxododecanoic acid	0.9156	1.1405	0.9951	0.8976
6-[3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-4-methoxy-1,3-benzodioxole	1.0112	0.9260	1.0616	1.0024
6,3^,4^-Trimethoxyflavanone	0.8658	0.8071	1.3706	0.9130
6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid	0.9250	0.7204	1.2963	1.1166
6,8-Dihydroxypurine	0.8926	0.7917	1.1840	1.2636
6-aminochromen-2-one	1.1360	0.5398	1.2890	1.0704
(6aR,12aR)-12a-hydroxy-2,3,9-trimethoxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one	0.1808	1.8250	0.5142	0.7077
(6beta,22E)-6-Hydroxystigmasta-4,22-dien-3-one	0.7821	0.9956	1.3305	0.7806
6-(Dipropylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diol	0.9473	0.7727	1.2061	1.1478
(6E)-2,6,10-trimethyldodeca-6,11-diene-2,3,10-triol	1.1866	0.7151	0.8837	1.4293
(6E,8E,10S,12Z)-10-Hydroxy-3-oxooctadecatrienoic acid	1.2184	0.7615	0.9762	1.0877
6E,8E,12E,14E-Hexadecatetraen-10-ynoic acid	1.0962	0.8388	0.9689	1.1922
6-ethoxypyridine-3-carboxylic acid	1.1287	0.7412	1.1220	1.0162
6-Hydroxynicotinic acid	1.3816	0.9994	0.6285	0.9812
6-Hydroxynon-4-enoylcarnitine	1.1944	0.7747	1.0566	0.9487
6-Hydroxynon-6-enoylcarnitine	0.7263	1.3337	0.8159	1.2483
6-Methylgingediol	1.0886	0.7317	1.0821	1.1953
7-[2,6-dimethyl-8-(2-methylbutanoyloxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid	1.0733	0.8925	0.8734	1.3218
7,2^-Dihydroxy-5,8-dimethyl-4^,5^-methylenedioxyflavan	1.7641	0.4663	0.7600	1.0192
7,4^-Dimethoxy-6-C-methylflavanone	1.4885	0.8811	0.6259	1.0092
(7,8-dimethoxy-2,2,3-trimethyl-2,3-dihydro-1H-benzo[d]azepin-4-yl)(3,4-dimethoxyphenyl)methanone	1.2215	0.7376	1.0031	1.0755
7a,12a-Dihydroxy-3-oxo-4-cholenoic acid	1.1079	0.8269	1.0340	1.0625
7a,12a-Dihydroxy-cholestene-3-one	0.7625	1.0731	1.1275	1.0739
7 alpha,26-Dihydroxy-4-cholesten-3-one	0.5500	1.7694	0.8511	0.6590
7alpha-Hydroxycholesterol	0.7415	1.1508	1.3196	0.5759
7-dehydrocholesterol	0.5076	1.4434	1.0868	0.9244
7-Epijasmonic acid	1.2456	0.6700	1.0339	1.1011
7-Ethyl-5,6-dihydro-1,4-dimethylazulene	0.7216	0.7466	1.5707	0.9223
7-Hydroxy-2^,4^,5^-trimethoxyisoflavan	1.1126	0.9540	0.9599	0.9472
7-Hydroxy-4-cholesten-3-one	0.5078	0.9293	1.5260	1.0737
7-Ketocholesterol	0.6410	1.0771	1.3752	0.8134
7-Oxocholesterol	0.4267	1.5018	1.1555	0.8319
7-Oxomeptazinol	2.1898	0.5534	0.2499	1.0139
(7R,8R,E)-6-((R,4E,6E)-2,5-dimethylocta-4,6-dien-1-ylidene)-8-methyloctahydroindolizine-7,8-diol	1.0986	0.9781	0.9231	1.0004
(7R,8R,E)-8-methyl-6-(2-methylpropylidene)octahydroindolizine-7,8-diol	1.0008	0.5573	1.4317	1.0206
7S,8S-DiHOTrE	1.1975	0.7947	0.7842	1.4474
8,12-octadecadienoic acid	1.2530	0.4970	1.2188	1.0624
(±)8,9-DHET	1.1583	0.6392	1.2627	0.8796
8-Azabicyclo[3.2.1]octane	0.8495	1.2005	0.9259	1.0484
8-Desmethyleucalyptin	1.3328	0.7637	0.8667	1.0735
8-Heptadecenal	1.1127	0.6310	1.2452	0.8993
8-HETE	1.1959	0.7294	1.0274	1.0946
8-HETrE	1.0705	0.5686	1.4655	0.7909
8-hydroxy-11-(hydroxymethyl)-1,5,11-trimethyltricyclo[6.2.1.02,?]undec-2-en-9-one	1.1557	0.7220	1.0649	1.1148
(.+/-.)-8-Hydroxy-4Z,6E,10Z,13Z,16Z,19Z-docosahexaenoic acid	1.5076	0.8452	0.6393	1.0159
8-hydroxy-6,7-dimethoxychromen-2-one	1.9380	0.5752	0.6405	0.6927
8-hydroxy-8-(3-octyloxiran-2-yl)octanoic acid	1.9937	0.4066	0.5489	1.1015
8-Hydroxyadenine	1.1475	0.5535	1.2915	1.0149
8S-HODE	1.5572	0.7881	0.6223	1.0649
(8Z)-10-hydroxyhexadec-8-enoic acid	1.5734	0.7833	0.6262	1.0343
9,10-DiHOME	1.5425	0.7166	0.7102	1.0613
9,10-Dihydroxystearic acid	1.3758	0.5105	1.0755	1.0762
9,11-methane-epoxy PGF1alpha	1.1271	0.6630	1.5607	0.2982
9,12-Octadecadienoic acid (Z,Z)-, methyl ester	2.1085	0.1556	2.0514	0.0730
9,12-Octadecadiynoic Acid	1.1598	0.6596	1.1660	1.0292
9-acetyl-17-hydroxy-10,14-dimethyl-20-oxahexacyclo[11.9.0.0<2,10>.0<4,9>.0<14, 19>.0<19,21>]docosane	1.5437	0.6774	0.9256	0.6818
9(E),11(E)-Conjugated Linoleic Acid	1.5041	0.3975	1.0260	1.1448
(9E)-octadec-9-enedioic acid	1.2064	1.2771	0.6662	0.7006
9-Hexadecenoylcarnitine	0.0411	1.9627	0.7610	0.1953
9H-Purine-9-ol	0.1626	3.2202	0.0835	0.0674
9-methoxycarbonyldec-9-enoic acid	1.0854	0.9506	0.9086	1.1107
9-Octadecenamide, (Z)-	0.9124	0.7927	1.3452	0.8994
9-Oxo-11-(3-pentyloxiran-2-yl)undec-10-enoic acid	1.2375	1.1380	0.8014	0.6461
9-Oxoode	1.1922	0.7109	1.0888	1.0162
9-OxoOTrE	1.0919	0.8739	1.0144	1.0396
9R,10S-EpOME	1.6543	0.5606	0.8320	0.9062
9S,11R,15S-trihydroxy-2,3-dinor-13E-prostaenoic acid-cyclo[8S,12R]	1.1894	0.6096	1.1704	1.0612
9S,12S,13S-trihydroxy-10E-octadecenoic acid	0.5037	1.4646	1.1174	0.8287
(9S,13S)-10,11-dihydro-12-oxo-15-phytoenoic acid	1.3569	0.6076	0.9821	1.1068
9(S)-HOTrE	1.2244	0.6430	1.1990	0.8671
9(S)-HpOTrE	1.0640	0.7153	1.0150	1.4114
9-Stearolic acid	0.4493	1.1849	1.3817	0.9683
(9Z,11E,13E,15Z)-4-Oxo-9,11,13,15-octadecatetraenoic acid	1.2040	0.7412	0.9606	1.1884
9(Z),11(E),13(E)-Octadecatrienoic Acid ethyl ester	1.1751	0.8359	1.1592	0.5503
9(Z),11(E)-Conjugated Linoleic Acid	1.5041	0.6482	1.0087	0.6783
(9Z,12Z)-6-hydroxyoctadeca-9,12-dienoic acid	1.6748	0.5072	0.7567	1.1226
a	1.1107	1.0652	0.7973	1.0537
Abiraterone	1.5536	0.4150	1.0434	0.9760
Abrine	1.3290	0.8423	0.8261	1.0053
Acadesine	0.8878	1.1090	1.0114	0.9837
Acetylcimigenol arabinoside	1.1521	0.8863	1.0266	0.8701
Acetyl tributyl citrate	0.9282	0.9948	0.8164	1.5210
Ac-Tyr-OEt	1.3786	0.7940	1.0566	0.5416
Adenine	0.7405	0.5294	2.1295	0.6167
Adenosine	0.6552	1.2078	1.1228	1.0283
Ala Asn Trp	1.3382	0.6715	0.9798	1.0208
Ala-DCA	1.0992	0.7701	1.3273	0.6069
Ala-Ile	1.2777	0.8364	0.8230	1.1259
Ala Leu Leu	0.5853	1.4053	0.9503	1.1182
Alanylproline	0.9237	0.9902	1.0973	0.9774
albaflavenone	0.8660	0.9055	1.0675	1.3221
alpha-Campholonic acid	1.1287	0.7261	1.1073	1.0758
alpha-Humulene	1.0875	1.1046	0.9158	0.7522
alpha-Ionene	1.0075	0.9857	1.0114	0.9907
alpha-licanic acid	1.4364	0.6859	0.8676	1.0202
Alpha-Linolenoyl ethanolamide	1.2919	0.5994	1.1615	0.8944
alpha-Methyl-m-tyrosine	0.8892	0.8675	1.2301	1.0264
alpha-Methylstyrene	0.9762	0.8878	1.0799	1.1121
alpha-Spinasterol	0.7762	0.9461	0.8413	1.8728
alpha-Tocopherolquinone	1.3054	0.9976	0.9400	0.2397
alpha-Tocotrienol	0.8560	0.6306	1.4920	1.0428
Amantadine	0.9914	0.8074	1.1257	1.1511
Aminocarb	2.9778	0.1331	0.3330	0.1121
AmorolfineHCL	0.3939	1.4255	1.1653	1.0305
amyl amine-C11:0	0.9062	0.9171	1.1995	0.9544
amyl amine-C14:0	0.9000	0.8613	1.2707	0.9359
amyl amine-C14:1	1.0965	0.6271	1.3287	0.6467
amyl amine-C15:0	0.8911	0.9007	1.2090	0.9653
amyl amine-C16:0	0.9152	0.7606	1.4541	0.7403
amyl amine-C17:1	0.8852	0.9921	1.0211	1.2031
amyl amine-C18:1	0.9312	0.6006	1.6358	0.5646
amyl amine-C18:2	0.9579	0.4645	1.8266	0.5020
Anabaseine	0.8740	0.7892	1.3068	1.0600
Anandamide (20:l, n-9)	0.5841	1.0150	1.5681	0.6755
Angelic acid	1.2436	0.7928	0.9675	0.9923
Anisomycin	1.1871	0.7286	1.0888	0.9911
Apigenin 7,4^-dimethyl ether	1.2214	0.8593	0.8966	1.0453
Arachidonoylthio-PC	1.0436	0.9754	0.9676	1.0268
Arginyl-prolyl-proline	0.7353	1.4705	0.9323	0.7240
Arg Ser Tyr	1.0212	0.8939	1.0317	1.1064
Arg Tyr Ser	0.9095	1.0947	1.0249	0.9417
Asn His Ile	0.9598	0.9496	1.0146	1.1518
Asn His Leu	0.9772	0.9798	0.9213	1.2434
Asn Leu	0.9931	1.0545	0.9103	1.0842
Asparaginylhydroxyproline	1.1454	0.7868	1.0608	1.0140
Asparenyol	1.1066	0.8419	1.0333	1.0364
Aspartic acid	1.2805	0.6519	1.0197	1.0958
Aspergillusenes A	0.9931	0.9450	0.9936	1.1366
Atenolol-desisopropyl	1.2756	0.7401	1.0988	0.7709
Atractylon	1.8506	0.4859	0.5795	1.1679
Austrobuxusin J	1.0521	0.9104	1.0794	0.9162
Avocadene 2-acetate	1.8209	0.4299	0.7279	1.0428
Avocadene Acetate	1.9033	0.3997	0.7013	0.9915
Avocadyne Acetate	0.8538	0.7284	1.3116	1.2124
Azelaic acid	1.2193	0.6904	1.0369	1.1067
Baikiain	1.0225	1.2253	0.6719	1.1605
Batelapine	2.4214	0.1843	0.1048	1.5788
Bemegride	0.8406	1.1662	0.7427	1.5009
Benzaldehyde	1.0558	1.1915	0.6436	1.2182
Benzalkonium	0.3597	0.6266	2.1249	0.7776
Benzalkonium chloride (C12)	0.1342	0.7251	2.2601	0.7611
Benzoic acid	1.4216	0.6652	0.9510	0.9243
Benzyltetradecyldimethylammonium	0.4463	0.5265	2.1823	0.6898
beta-Alanine	0.9514	1.1005	1.1337	0.6290
beta-Lonone	0.9231	0.6876	1.3132	1.1522
beta-Methylstyrene	1.1737	0.6026	1.2306	0.9862
beta-N-Acetylglucosamine	0.6049	1.0034	1.3345	1.1142
beta-Thujaplicin	0.8986	0.7964	1.4571	0.6959
beta-Tocopherol	1.5139	0.8812	0.9951	0.1801
beta-tocotrienol	0.8017	0.9242	1.2363	1.0755
Beta-Tyrosine	1.1561	0.8322	0.9683	1.0869
Bile acid	0.7554	1.4107	0.6267	1.4144
Bilirubin	0.0847	2.5179	0.7740	0.0885
Biopterin	1.3494	0.6898	0.9502	1.0213
Biotin	1.6780	0.4235	0.8490	1.0991
Bis(2-ethylhexyl)-phthalate	1.0456	0.9053	0.8346	1.4289
Brassicasterol	0.9090	1.0053	1.3181	0.5387
Brassinolide	0.9154	1.2595	0.8563	0.9376
Bufadienolide	0.7580	1.2338	0.9108	1.1947
bufalin	0.8084	0.9974	1.1077	1.1732
(+)-Butaclamol	1.5100	0.4864	1.0573	0.8925
butamben	1.0915	0.6677	1.1905	1.1008
Butyrophenone	1.0704	0.9171	0.9700	1.0851
Butyryl carnitine (isomer of 920)	1.4001	1.3974	0.2478	0.9095
C14Tetradecanoyl-L-Carnitine	0.4020	2.1025	0.6678	0.6552
C16 Sphingosine	0.9149	0.9864	1.0867	1.0241
C18(Plasm)-18:1 PC	1.0305	0.6690	1.4640	0.6728
Cadabicine	1.5527	0.6810	0.7644	1.0037
Cadaverine	2.3732	0.2111	0.2168	1.3976
Calendic acid	1.2877	0.9240	0.7908	0.9949
calicoferol A	1.0248	1.1198	0.7476	1.2156
calicoferol E	0.6959	1.4414	0.8360	0.9986
Cannabinol	0.4897	1.2415	1.1967	1.1443
Capsiamide	0.9605	0.7864	1.2911	0.9241
Carbetapentane	1.1201	0.7717	1.2634	0.6897
Carissic acid	0.5838	2.0248	1.2067	0.5320
Carnosine	1.1739	0.7199	1.0984	1.0154
Carylophyllene Oxide	1.7709	0.5617	0.1719	0.8327
Centperazine	1.1684	0.9087	0.8457	1.1545
Ceramide (18:1/16:0)	1.0174	0.7493	0.6172	2.2322
Cer(d18:0/0:0)	0.8075	0.8742	1.3427	0.9513
Cer(d18:0/12:0)	1.2524	1.0401	0.8740	0.6937
Cer(d18:0/14:0)	0.9799	0.8378	1.2157	0.8793
Cer(d18:0/16:0)	1.0690	0.7540	1.3668	0.6205
Cer(d18:0/16:0(2OH))	1.2051	1.3766	0.5627	0.5366
Cer(t18:0/16:0)	1.4346	1.3597	0.4789	0.2800
Cetrimonium	0.9521	0.8137	1.2928	0.8828
Chamuvaritin	1.1186	0.7609	1.0799	1.0811
Chenodeoxycholic Acid	1.0499	0.8957	1.0042	1.1003
Chimyl alcohol	1.1117	1.0140	1.0245	0.6996
Cholest-4,6-Dien-3-One	0.2760	1.0427	1.6733	1.0159
Cholesta-5,8(9)-dien-3beta-ol	0.3649	1.2811	1.3288	0.9325
Cholic acid	1.2512	0.7781	0.9593	1.0228
Cimetidine sulfoxide	1.3611	1.0266	0.6376	0.9582
Cinnamic acid	1.1135	0.9148	0.9790	0.9853
Cis-11-Eicosenoic acid	0.4482	0.2020	2.7733	0.5174
cis-12-Octadecenoic Acid methyl ester	1.3042	0.5522	1.9496	0.1281
cis-12-Oxophytodienoic acid	1.2636	0.7908	0.8682	1.1549
cis-7,10,13,16-Docosatetraenoic acid	0.9988	0.6362	1.4818	0.8056
cis-7-Hexadecenoic Acid	1.6186	0.6036	0.8547	0.8464
cis-9-Hexadecenoic acid	1.6687	0.5672	0.8643	0.7995
cis-Acetylacrylate	1.2180	1.0434	1.1138	0.2496
Citreoviridin putative annotated in Paecelomyces	1.0602	0.9020	1.0459	0.9838
Citropten	0.4973	1.6752	1.0508	0.5535
Citrulline	1.2184	0.9734	0.8840	0.8485
Clovanediol Diacetate	1.0918	0.9399	0.9514	1.0338
Colnelenic acid	1.3116	0.6524	0.9900	1.0920
Communesin-B	1.0194	0.9786	0.9909	1.0223
Congressane	1.0198	0.5850	1.3902	1.0100
Coniine	0.9822	0.9449	1.0483	1.0493
Conjugated Linoleic Acid (10E,12Z)	1.3040	0.7678	0.9680	0.9206
Coproporphyrin I	0.7578	1.0567	1.0583	1.2543
Coprostanone	1.3777	0.5120	1.3150	0.5908
Corchorifatty acid A	1.4132	0.6786	0.9259	0.9645
Corchorifatty acid F	0.7656	0.8595	1.3191	1.1116
Costunolide	0.4114	0.5788	1.9483	1.1230
Creatine,anhydrous	0.7577	2.0359	0.2747	0.8636
Creatinine,anhydrous	1.0518	1.3420	0.6323	0.9479
Cropropamide	1.1311	0.7549	1.1019	1.0241
Crotonoside	1.3668	0.6368	0.9451	1.1027
(+)-cucurbic acid	1.3903	0.5038	1.0582	1.0953
Cuelure	0.6852	1.2547	0.8222	1.4759
Cuminyl alcohol	0.9757	1.0459	1.0116	0.9337
Curcumanolide A	1.1847	0.7118	1.0632	1.0807
cyclic 3-Hydroxymelatonin	1.3029	0.6552	1.4786	0.1267
cyclo(glycylprolyl)	1.0566	0.9334	1.0956	0.8287
Cyclohepta-1,3,5-trione	0.9190	1.1563	1.0675	0.7144
Cyclohexanone oxime	1.0572	1.0108	0.9543	0.9552
Cyclohexylamine	1.0884	1.0202	0.9597	0.8632
cyclohexylammonium	0.9918	0.6046	1.3243	1.1585
Cyclo(Leu-Phe)	1.3005	0.9839	0.6998	1.0263
cyclo(L-Leu-L-4-hydroxy-Pro)	0.9402	1.2954	0.7075	1.1139
Cyclopentamine	1.0563	0.9616	1.0189	0.9265
Cyclopentasiloxane, decamethyl-	0.9443	1.0806	1.0001	0.9500
Cytidine	0.4663	1.5902	1.1877	0.5116
Cytosine	0.8673	0.5786	1.5810	0.9463
Cytosine deoxyribonucleoside	1.1731	0.8113	1.0013	1.0286
DAG 15:0	1.7278	0.5595	0.7235	0.9783
Daidzein	0.9441	0.6722	1.3852	0.9971
D-Alloisoleucine	1.0642	0.9398	1.1015	0.7889
d-Dethiobiotin	0.8616	1.5494	0.6841	0.8098
D-(+)-dihydrocarvone	1.0046	1.0014	1.1729	0.6420
dec-4-enedioic acid	0.8571	0.7990	1.2898	1.1083
Decaethylene Glycol	0.7147	1.1580	1.0881	1.0784
DEET	0.8014	1.0836	1.1270	0.9761
DEET (Diethyltoluamide)	0.8966	1.0049	1.0531	1.0909
DEET Diethyltoluamide)	1.1457	0.8939	0.8212	1.2784
Dehydroabietamide	1.1984	0.7320	1.0495	1.0403
Dehydrophytosphingosine	1.0812	0.9165	1.1577	0.6894
Dehydrotumulosic acid	1.3638	1.1061	0.7592	0.8552
Delgocitinib	1.3730	0.6974	0.8765	1.1063
delta8,14-Sterol	1.0054	0.5651	1.4611	0.9368
delta-tocopherol	0.9023	0.6079	1.5569	0.8659
delta-Tocotrienol	0.5055	1.7737	0.6605	0.9557
delta-Valerolactone	1.4646	1.0363	0.4519	1.0946
Demethyltexasin	0.4256	1.3392	1.1525	0.9740
Deoxycholate	0.8414	0.5618	1.3267	1.5402
Deoxycholic acid	1.0616	0.9814	0.9227	1.0685
Deoxycorticosterone	1.1666	0.9808	0.9737	0.7579
Deoxyelephantopin	1.1965	1.2509	0.6662	0.7730
Desf-08	2.4300	0.1064	0.5020	0.6253
Desmosterol	1.2457	0.4610	1.6965	0.2757
Dethiobiotin	1.1584	0.9231	0.9170	1.0029
DG 16:0	0.7739	0.3493	1.9165	0.9206
DG(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/0:0/i-19:0)	1.7089	0.5248	1.1186	0.3744
DG 33:3	1.0546	0.6817	1.3298	0.6921
DG 8:0_16:4	1.0306	0.7878	1.2060	0.9513
D-Glucose	1.4551	0.5046	1.1303	0.8202
DG(PGJ2/8:0/0:0)	0.4747	0.9564	1.5642	1.0093
D-Histidine	1.0756	0.8389	1.0771	1.0168
D-Homoserine	1.0325	0.8957	0.9788	1.1861
Dibutyl phthalate	1.1972	0.8086	0.8736	1.2411
Dichloromethane	1.1062	0.9215	0.9587	1.0273
Dicoumaroyl Spermidine	1.3734	0.8555	0.7902	0.9617
Dicyclohexylcarbodiimide	1.2664	0.7762	0.9635	0.9877
Didrovaltratum	0.9152	0.9897	1.0332	1.1237
Diferuloyl putrescine	1.0689	0.9546	0.9590	1.0351
Dihydrocapsaicin	1.1567	1.0100	0.8241	1.0184
Dihydroceramide C2	0.7696	0.6298	1.9948	0.4744
Dihydrojasmonic Acid	1.5009	0.6459	0.8623	0.9818
Dihydromuronic acid	1.3582	1.1561	0.6426	0.6861
Dihydroxycarteolol M1	0.5224	0.9548	1.4350	1.1757
Dihydroxycarteolol M2	2.5087	0.1653	0.2711	1.1098
Dihydroxystearic acid	0.7018	0.7580	1.6368	0.7263
Diisopropylethylamine	1.0451	1.1078	0.8639	0.9666
Diisopropylphosphate	0.9322	1.0620	1.0250	0.9616
Diisopropyl sulfide	1.1502	0.8349	0.9741	1.0815
Dimorphecolic acid	2.1210	0.3855	0.4863	1.0145
Dioctyl phthalate	1.2555	0.7648	0.8831	1.1933
Diosgenin	1.1526	1.0436	0.8699	0.8679
Diplodiatoxin	0.6834	1.1529	0.9088	1.5100
Diterpene alkaloid	0.5655	1.2159	1.1883	1.0605
Divinylbenzene	0.9593	0.8993	1.0987	1.0854
Dl-Citrulline	1.8701	0.5852	0.6861	0.7172
D-Leucine	1.0711	1.0178	0.8236	1.1750
Dl-Isoleucine	1.2138	0.9029	0.8585	1.0495
DL-Lauroylcarnitine	1.0661	0.8587	1.2674	0.6155
Dl-Phenylalanine	1.2580	0.8113	0.9000	1.0615
D-Lysine	0.9205	1.0607	1.0044	1.0289
Docosahexaenoic acid	0.7089	1.6066	0.7818	0.8053
Docosatetraenoyl Ethanolamide	0.6016	0.5667	2.0137	0.4916
dodec-4-enedioic acid	1.1154	0.7783	1.0719	1.0689
dodeca-4,7,10-trienoic acid	1.1256	0.7574	1.1092	1.0155
dodeca-6,8,10-trienoic acid	1.5994	0.5505	0.8864	0.9274
dodecanamide	0.7604	0.8393	1.4094	0.9819
Dodecanedioic acid	1.1206	0.9026	0.9666	1.0205
Dopamine	1.0404	1.1917	1.0984	0.6408
D-Pinitol	1.6867	0.4324	0.8259	1.1100
Dropropizine	2.2164	0.3597	0.3754	1.0972
D-Tyrosine	1.2221	0.6511	1.1117	1.0302
Durandro	1.3611	0.8919	0.7351	1.0238
(E)-10-Oxo-8-decenoic acid	0.9849	0.9662	1.1001	0.8978
(E)-3-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid	1.0851	0.7767	1.1070	1.0625
(E)-4-[(1R,2S,3S,4R,8aS)-2,3,4-trihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]but-3-en-2-one	1.1205	0.6674	1.1252	1.1738
E-64c	1.0289	0.9376	1.0325	1.0019
Eicosanoids_12,13diHOME_C18H34O4	1.9658	0.4409	0.4933	1.0135
Eicosanoids_18-HEPE_	1.4578	0.6539	0.8449	1.0867
Eicosanoids_8-HEPE_	2.5994	0.1805	0.1901	1.0601
Eicosanoids_PGD1_	1.2186	1.7900	0.3925	0.1979
Enallylpropymal	1.2634	0.6799	1.3296	0.4540
Enoxolone	1.1492	0.9452	0.9353	0.9405
Enterodiol	0.1714	0.7640	1.7760	1.5770
Enterolactone	1.1360	0.8350	0.9927	1.0727
Episarsasapogenin	0.5512	0.9891	1.5524	0.8146
Epoxydocosapentaenoic acid	1.2004	0.7885	0.9645	1.0932
(+/-)-Equol	1.5017	0.9214	0.6020	0.9497
Ergosta-5,7,9(11),22-Tetraen-3-beta-Ol	0.5621	1.3135	1.5044	0.5126
Erianin	0.8241	0.9488	1.2080	1.0383
Esculentic acid (Diplazium)	1.3142	0.5726	1.1201	0.9863
Estradiol dipropionate	1.7747	0.5539	0.6062	1.1304
estrane-3alpha,17alpha-diol	1.2435	0.8067	1.1142	0.6711
Ethephon	1.1656	1.1000	0.7751	0.9187
Ethosuximide M5	1.3974	0.6431	0.9482	1.0227
ethyl (2E)-3-(3-nitrophenyl)prop-2-enoate	1.4558	0.6972	0.8010	1.0922
Ethyl 2-pyrrolecarboxylate	0.8079	0.9430	1.2864	0.9255
ethyl 4-((1S,2S,11S,16S,5R,7R,10R,14R,15R)-5,16-dihydroxy-2,15-dimethyltetracy clo[8.7.0.0<2,7>.0<11,15>]heptadec-14-yl)pentanoate	0.3413	0.6901	1.9370	1.0632
Ethyl 4-phenylbutanoate	1.1644	0.6290	1.1634	1.0864
Ethyl butylacetylaminopropionate	1.3852	0.5499	1.0585	1.0127
Ethyl ecgonine	1.4240	0.5119	0.9550	1.0554
Ethyl isobutyl ketone	0.9771	0.8381	1.1084	1.1171
Ethyl isopropyl disulfide	0.9916	0.6625	1.2283	1.2351
Ethyl N2-acetyl-L-argininate	1.3741	0.7732	0.7788	1.0721
Ethyl phenylacetate	1.2900	0.4231	1.2056	1.1625
Ethyl trans-p-methoxycinnamate	1.2359	1.0028	0.8031	0.9164
Etiracetam	1.0219	0.9131	1.1198	0.8903
(E)-undec-2-enedioic acid	0.9190	1.0394	1.0140	1.0551
Euscaphic acid	0.3460	1.0315	1.6569	0.9312
Exaprolol	1.1557	0.7811	1.0409	1.0447
Falipamil	1.4243	0.5196	1.0112	1.0898
Farnesyl acetone	1.2795	0.6737	1.0917	0.9102
Farnesylacetone	1.5037	0.4959	1.0886	0.8236
Felbamate monocarboxylate	0.9606	0.8182	1.2443	0.9538
Fellutanine A	1.3006	0.8646	0.7787	1.1122
ferulic acid	1.1108	0.9348	0.9756	0.9577
Fistulosin	0.9548	0.5410	1.6961	0.5270
Fludioxonil	1.4603	0.6105	1.0030	0.8523
Flufenacet ESA	1.4574	0.7500	0.9083	0.7686
Forskolin	1.4597	0.1479	1.8131	0.1586
Fructosylvaline	1.0777	0.8801	1.0711	0.9423
FruLeuIle	0.8247	0.9925	1.2233	0.9192
Furanodiene	1.3653	0.8748	0.7383	1.0432
Fusaric acid	0.8397	0.9839	1.1466	1.0597
fuzhuanin A	1.3076	0.5672	1.2529	0.7446
GABA-C5:0	0.8326	1.0785	1.0175	1.1427
GABA-C6:0	0.5047	1.5444	0.9244	1.0528
gamma- 9,10-DiHODE	0.9570	0.9550	1.0556	1.0496
gamma-Asarone	1.3104	0.6770	0.9794	1.0665
Gamma-Butyrolactone	0.9179	0.9819	1.1123	0.9757
gamma-Glutamyl-beta-aminopropiononitrile	1.2475	0.7277	0.9865	1.0764
gamma-Glutamylisoleucine	0.6985	0.7245	1.5198	1.1146
gamma-Glutamylvaline	1.1088	0.7879	0.9644	1.2779
gamma-Tocotrienol	0.8525	0.8395	1.3559	0.9041
Genistein	1.2052	1.0909	0.7134	0.9810
Gentianine	1.1381	0.8966	0.9799	0.9709
Gentiatibetine	0.9390	0.7958	1.2176	1.0954
Geranylacetone	1.0424	0.6056	1.3293	1.0455
Glochidone putative	1.2007	0.5437	1.2451	1.0209
Glu Ala Ser Ser Thr	1.6163	0.7575	0.5865	1.0793
Glu-bMCA	0.5828	0.7631	1.5694	1.1694
Glucosamine-1P	1.0053	0.8124	1.1266	1.1114
Glucosaminic acid	1.1251	0.6116	1.2720	0.9826
Glucuronic_acid,_8CI,_9CI_6-Aminohexyl_glycoside	1.1766	0.6740	1.0896	1.1196
Glu Leu	1.4583	0.7935	1.0143	0.6205
Glu Lys His	1.2575	1.3266	0.3501	1.1316
Glu Pro	0.7773	1.2982	0.9617	0.9257
Glutamylproline	0.8387	0.7301	1.4205	1.0215
Glutaric acid	1.1534	0.7768	1.1585	0.8226
Glutaryl-carnitine; AIF; CE00; CorrDec	1.1525	0.5461	0.9969	1.6091
Glycerol 1,2-dimethacrylate	1.3485	0.9497	0.7039	0.9957
Glycerol 1-hexadecanoate	1.0267	0.8334	1.0969	1.0860
Glycerol 1-myristate	0.4869	0.7475	2.1199	0.6987
Glyceryl 5-hydroxydecanoate	1.2069	0.6713	1.1092	1.0250
Glyceryl monolinoleate	1.0886	0.8034	1.2137	0.7884
Glycerylmonooleate	1.2008	0.8816	0.9707	0.8938
Glycitein	1.1402	1.1630	0.7066	0.9803
Glycochenodeoxycholate	0.6619	1.1689	1.2810	0.7763
Glycocholic acid	0.9544	0.8818	1.1458	1.0361
Glycoursodeoxycholic acid	0.7977	0.5410	1.6031	1.1165
Glycylleucine	0.8780	1.2506	0.9972	0.7485
Glycyl-L-proline	1.1868	0.9778	0.7897	1.0913
Glycyl-L-valine	1.0138	0.9394	0.9549	1.1836
Gly Ile	1.2590	0.8526	0.8874	1.0021
Gly Leu Leu	1.3373	0.7447	0.8734	1.0891
Gly-Phe	1.2817	0.9171	0.7988	1.0049
Gly Pro Ile	1.1656	1.2279	0.9534	0.3061
Gly Pro Ser	1.8164	0.5938	0.5709	1.0377
Gonal	1.7048	0.4906	0.8029	1.0033
Guanidinobutyric acid methyl ester	0.5872	1.4418	1.2510	0.4400
h_92_oxabolone	1.1022	0.8547	1.0652	0.9556
Halaminol A	1.0611	0.7933	1.1565	0.9782
Hapalindole A	1.0567	0.9787	1.0992	0.7310
Hecogenin	1.2666	1.0940	0.6418	0.9950
Hecogenin Acetate	0.8604	0.8839	1.2165	1.0785
Hemimellitene	0.9597	1.0370	1.0041	0.9982
Hept-3-enoylcarnitine	1.1362	0.9142	0.9731	0.9532
Heptadecanoyl Ethanolamide	0.6741	0.8310	1.7452	0.4993
Heptadecasphinganine	0.8596	0.7468	1.4975	0.7922
heptan-2-one	0.9605	0.8365	1.2496	0.9069
Heptanoylcarnitine	1.4867	0.5262	0.9706	1.0330
Hexadecylamine	0.8655	0.9199	1.2719	0.8853
Hexaethylene glycol	0.8569	1.1383	1.0164	0.9770
HexCer 11:0;3O/23:0;(2OH)	0.9621	0.6824	1.4191	0.8730
Hirsutin	1.1375	0.6480	1.1098	1.2095
His Asn Ile	1.1196	0.8644	0.8114	1.4093
Histidinol	1.2545	0.5908	1.1223	1.0647
Homocysteine thiolactone	1.0740	0.9907	0.9207	1.0294
Hydrocotarnine	0.8090	1.2683	0.9335	0.9782
Hydroxyamobarbital	1.0135	1.3271	0.6690	0.9807
Hydroxy Tyrosol -Acetate	1.2453	0.5768	1.1432	1.0694
Hyocholic acid	1.0199	1.1281	0.6172	1.4694
Hyodeoxycholic acid	0.8646	0.9834	1.1064	1.0912
Hypotaurine	1.5074	0.8842	0.6321	0.9527
IAA-Val	2.3316	0.3299	0.4190	0.8388
Ibuprofen piconol	1.5103	0.5912	0.8841	1.0289
Icosa-8,11,14-trienoylcarnitine	0.2636	2.6794	0.4526	0.5920
Idrapril	1.0661	0.7140	1.1767	1.0864
Ile His Arg Arg	0.9075	1.0159	1.0770	0.9993
Ile Phe	1.0493	1.0473	0.7849	1.2371
Ile Pro	1.1762	0.9325	0.8559	1.0707
Ile Thr Pro	1.2446	0.8084	0.9354	1.0232
Ile-Trp	0.4548	2.1263	0.7481	0.3415
Ile Val Ser	1.3126	1.0527	0.8265	0.6162
Imazapyr	1.2229	0.7075	1.0493	1.0406
Imidazoleacetic acid	1.0951	0.6428	1.1676	1.1890
Imidocarb	1.0281	1.0243	0.9457	1.0038
Imperialine	0.9374	1.2193	0.7330	1.2205
Indane	1.0629	0.9843	0.9449	1.0159
Indeloxazine	1.7094	0.6732	0.6260	0.9828
Indole-3-acetamide	1.3720	0.7872	0.8435	0.9946
Indole-3-acetyl-L-isoleucine	1.2308	1.3685	0.7998	0.2017
Indole-3-carbinol	1.5678	0.7185	0.7642	0.8989
Indole-3-carboxaldehyde	1.3435	0.7417	0.8760	1.0777
Indole-3-carboxyaldehyde	1.1616	0.7493	1.0802	1.0179
Indole-3-carboxylic acid	1.3161	0.6010	1.0050	1.1557
Indole-3-ethanol	1.0359	0.7160	1.2636	0.9691
indole-3-glycol aldehyde	1.5293	0.6653	0.8161	0.9784
Indole-3-methyl acetate	1.7262	0.5635	0.7018	1.0170
Irisone	1.1627	0.6009	1.2812	0.9105
Isoalantolactone	1.2250	1.1020	0.8002	0.7455
Isoamyl 2-furonpropionate	1.0546	0.9549	1.0149	0.9511
Isodeoxycholic acid	0.9808	0.9587	1.0291	1.0629
Isoelemicin	1.0440	1.2455	0.7596	0.9017
Isoferulic acid	1.1276	0.6398	1.2495	0.9662
Isoleucine (Not validated)	1.2899	0.8057	0.9116	0.9855
Isoleucyl-Aspartate	1.1777	0.8236	1.0007	0.9959
Isoleucylhydroxyproline	1.2887	0.9090	0.6853	1.2341
Isoleucyl-Threonine	1.0854	1.0261	0.9000	0.9771
Isoleucyl-Valine	1.5070	0.9308	0.5125	1.0532
isomaltulose	1.4368	0.6609	0.9771	0.8503
Isopentylideneisopentylamine	0.7836	1.1447	1.1253	0.8926
Isophorone	1.0570	0.9332	1.0853	0.8489
(+)-Isopilocarpine	1.8422	0.5854	0.4621	1.2204
Isoprocarb	0.9629	1.1519	0.9650	0.8405
Isovalerylglutamic acid	0.9334	1.0024	1.0366	1.0551
Isoxaben	0.7935	1.7431	0.7163	0.4944
Isozeaxanthin	0.8508	0.7059	1.5506	0.4897
Italipyrone	0.5148	1.4713	0.8882	1.2514
(-)-Jasmonic acid	1.1191	0.7838	1.0676	1.0591
Jasmonoyl-S-Isoleucine	1.6858	0.9703	0.4413	1.0340
Kainic Acid	1.1827	0.6909	1.1378	0.9771
Koninginin A	1.1787	0.6473	1.1201	1.1078
korseveriline	1.6536	0.5503	0.7874	1.0175
Kynurenic acid	0.7009	1.0752	1.2397	0.9683
L-2-Aminoadipic acid	0.9758	1.4838	0.5615	0.9577
L-Allo-Isoleucine	1.3199	0.7766	0.9201	0.9668
L-allo-Threonine	1.2045	0.7485	1.0247	1.0445
lapidin	1.5721	0.6821	0.7214	1.0486
Laprafylline	0.8433	1.2371	0.9943	0.8507
Lathyrol	1.5971	0.5081	0.7540	1.2817
Lauric isopropanolamide	0.9771	0.8721	1.1764	0.9488
Laurocapram	1.1988	0.6975	1.2552	0.6970
Lauroylcarnitine	0.5835	1.9125	0.6132	0.7816
L-beta-homoleucine-HCl	1.5079	0.6143	0.8507	1.0542
L-Citrulline	1.0589	0.9006	1.0340	1.0130
LDGTS 4:0	0.4853	1.6381	0.8237	1.1058
Lenticin	2.2542	0.3478	0.6168	0.5625
Leu Ala	1.3420	0.5319	1.2072	0.8378
Leu Asp Val	1.0147	1.4914	0.5963	0.7952
Leucyl-Alanine	1.0575	0.9923	1.0010	0.8984
Leucylphenylalanine	1.2767	0.8579	0.8781	0.9745
Leu-Glu	1.1790	0.7978	0.9922	1.0620
Leu Leu Val	1.3326	0.7778	0.8552	1.0688
Leu Phe Leu Pro	1.4447	0.7640	0.7717	1.0392
Leu Pro Val	1.0685	1.1617	0.8017	0.9360
Leu Ser Trp His	1.8019	0.6577	0.5152	1.0504
L-Glutamic acid	1.0118	0.8697	1.0546	1.1277
L-Histidinol	1.1067	1.0162	1.1052	0.5439
L-Homoserine	0.7741	0.8815	1.1701	1.3484
Lidocaine-N-Oxide	2.5205	0.1933	0.2565	1.0594
Linamarin	1.1326	0.8461	0.9553	1.1320
Linoelaidic acid	1.2161	0.4680	1.4748	0.6822
Linoleoyl Ethanolamide	1.3335	0.5045	1.2078	0.9082
Liquidambaric lactone	1.6779	0.6846	0.5833	1.1085
Lithocholic acid	0.8138	0.8188	1.3727	0.9896
L-Kynurenine	2.2868	0.4591	0.4797	0.5489
L-Methionine sulfoxide	0.7506	1.4765	0.7916	0.9626
L-Norleucine	1.3304	0.6295	1.0213	1.0378
Lotaustralin	1.1018	0.7669	1.1153	1.0319
LPC 14:0-SN1	1.1979	1.1776	0.7004	0.8483
LPC 15:0-SN1	0.7483	1.6063	0.7131	0.8646
LPC 18:0-SN1	1.5376	0.5846	0.8876	0.9707
LPC 18:2-SN1	1.4005	0.6734	0.9463	0.9595
LPC O-14:1	0.7061	1.7597	0.6198	0.8290
LPC O-16:1	0.8804	1.3192	0.8239	0.9530
LPC O-18:1	1.4044	0.8179	0.8460	0.8635
LPE 13:0	1.8029	0.2578	1.0093	0.8600
LPE 16:0	1.3704	0.3810	1.3281	0.8409
LPE 17:0	1.1241	0.4394	1.5767	0.7196
LPE 17:1	1.0728	0.7150	1.6498	0.1249
LPE 18:2	1.1188	0.5891	1.3449	0.8943
LPE O-15:1	1.2235	0.9227	1.0569	0.5940
LPE O-16:1	1.2496	1.0093	0.8053	0.8717
LPE O-17:1	1.4837	0.7834	0.8502	0.7653
LPE O-18:2	0.6058	2.1413	0.5149	0.4762
LPE O-18:3	1.1389	1.1780	0.7520	0.8622
L-Serine	1.0150	1.0832	0.8641	1.0753
L-threo-Sphingosine C-18	0.5857	1.6208	0.8768	0.8333
L-Thyronine	1.1320	0.6501	1.2117	1.0124
L-Tryptophan	0.8211	1.1736	1.0815	0.8477
Lumichrome	1.6481	0.6095	0.6352	1.2143
Lycopene 1,2,1^,2^-diepoxide	0.7062	0.9045	1.4309	0.8851
lycoperodine I	1.2790	0.9642	0.7551	1.0034
Lys-C18:1	0.5404	1.0833	1.4594	0.8615
Lys-C4:0	0.9305	0.9700	1.0836	1.0320
Lys-C5:0 minus a CH2	1.0327	0.7503	1.1438	1.1462
Lys-gMCA	0.6847	0.8457	1.4126	1.1140
Lys Lys Pro	1.1676	1.0351	0.7635	1.0676
LysoPA(19:0/0:0)	0.8456	0.9215	1.2216	1.0226
LysoPA(i-19:0/0:0)	0.8629	0.7114	1.4160	1.0195
LysoPA(O-18:0/0:0)	0.4635	0.6973	1.9170	0.8446
LysoPC(0:0/20:4(5Z,8Z,11Z,14Z))	0.6268	1.4262	0.9893	0.9153
LysoPC(14:1(9Z)/0:0)	1.1658	0.7956	0.9902	1.0968
LysoPC(16:1(9Z)/0:0)	1.1041	1.2538	0.7053	0.8735
LysoPC(P-16:0/0:0)	1.0650	1.3287	0.7213	0.7701
LysoPC(P-18:1(9Z)/0:0)	0.6953	1.6966	0.6493	0.9176
LysoPE(0:0/15:0)	1.3488	0.3634	1.4133	0.7491
LysoPE(16:0/0:0)	2.0324	0.1361	1.1531	0.2323
LysoPE(18:0/0:0)	0.7701	1.4827	0.8451	0.8041
LysoPS(18:0/0:0)	1.2751	0.7947	1.2116	0.4371
Lys Phe	0.7867	1.0003	1.2625	0.9010
Lys Pro Pro Gly	1.3283	0.8222	0.8689	0.9612
Lys Thr His	0.8070	0.7298	1.5534	0.8196
Lys Tyr Val Lys	0.9255	1.0143	1.0369	1.0466
Lys Val Tyr Lys	1.0293	0.9238	1.0945	0.9048
Lysylisoleucine	1.0348	0.9280	0.9860	1.1025
M 344	0.9693	0.9970	1.0053	1.0567
Madecassic Acid	0.9134	0.4186	1.6671	1.0018
Maltol	1.0927	1.0371	0.8326	1.0751
Malvalic acid	1.3892	0.6125	1.0998	0.7970
Mangiferic acid	1.3380	0.5707	1.0445	1.0936
(+)-Marmasmic acid	0.8511	0.9953	1.1349	1.0375
Match to DEET Diethyltoluamide)	1.0315	1.2832	0.7785	0.8137
medrysone	1.2432	0.8434	0.8589	1.1091
Mefenacet	1.4682	0.8985	0.5992	1.0684
Melevodopa	0.9562	0.9563	1.1133	0.9485
Melibiose	1.4216	0.8080	0.6445	1.2519
Mephobarbital	1.1299	0.8271	1.0304	1.0253
Metacetamol	1.0574	0.8820	1.0638	0.9936
Meta-Tyrosine	1.1216	0.7047	0.9802	1.3871
Methacholine	1.3394	1.0463	0.5700	1.0886
methionine glutamate	1.3158	0.7966	0.8438	1.0877
Methioninesulfoxide	1.0624	0.7468	1.1631	1.0554
Met His Arg	1.2776	1.0259	0.7818	0.8295
Methyl 16-hydroxyhexadecanoate	1.3382	0.3423	1.4565	0.4004
methyl 1-methylpiperidine-3-carboxylate	1.7630	0.4369	0.8825	0.8352
methyl 2-[4-ethenyl-2,6-dihydroxy-3-(3-hydroxyprop-1-en-2-yl)-4-methylcyclohexyl]prop-2-enoate	0.7910	1.4126	0.8401	0.9126
methyl (2E,4E,8E)-7,13-dihydroxy-4,8,12-trimethyltetradeca-2,4,8-trienoate	1.1134	0.5908	1.2218	1.1479
methyl (4R)-4-((3R,5S,7R,9S,10S,13R,14R,17R)-3,7,14-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate	0.5374	0.5106	2.0727	0.7586
methyl (4R)-4-((3R,5S,7S,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate	0.2663	0.3348	2.4988	0.8001
methyl (4R)-4-((5R,9S,10S,12S,13R,17R)-12-hydroxy-10,13-dimethyl-2,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate	0.1409	0.3264	2.5988	0.8677
Methyl [6]-paradol	1.6768	0.6465	0.7588	0.8358
Methyl citronellate	1.3206	0.7496	0.9664	0.9267
Methyldopate	1.0666	0.7039	1.2366	0.9858
Methylenecyclopropylglycine	1.5007	0.9895	0.6750	0.6698
Methyl ferulate	0.9952	1.0075	1.0140	0.9665
Methylhexahydrophthalic anhydride	0.8060	0.7096	1.6576	0.6536
Methylimidazole acetaldehyde	1.0721	1.2052	0.7572	0.9311
Methylimidazoleacetic acid	1.1428	1.1439	0.6852	1.0560
methyl indole-3-acetic acid	1.7324	0.7145	0.5952	0.9159
Methyl methacrylate	0.7535	1.0047	1.3046	0.8744
Methylnoradrenaline	0.9948	0.7853	1.1912	1.0575
Methyl oxindole-3-acetate	1.3225	0.7229	0.9470	1.0152
methyl (R)-4-((3R,5S,7R,8S,9S,10S,13R,14R,17R)-3,7,14-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate	0.7802	0.6902	1.5783	0.9023
Methyl trans-p-methoxycinnamate	0.4013	1.3390	1.1324	1.2547
Methyltyrosinate	1.2272	0.8907	0.8926	0.9791
Metolachlor morpholinone	1.6940	0.7012	0.5973	1.0151
MG(0:0/16:0/0:0)	1.2333	0.3526	1.6743	0.4795
MG(0:0/18:3(6Z,9Z,12Z)/0:0)	1.9284	0.3999	0.7027	0.9379
MG(0:0/20:4(5Z,8Z,11Z,14Z)/0:0)	0.6697	1.4745	0.8992	0.9133
MG(0:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	0.7246	0.8015	1.5507	0.8465
MG(16:0/0:0/0:0)	0.9407	0.8002	1.3148	0.8887
MG 18:2	0.6292	1.0304	1.5083	0.6641
MG(18:2(9Z,12Z)/0:0/0:0)[rac]	1.2674	0.7697	0.9871	0.9516
MG(18:4(6Z,9Z,12Z,15Z)/0:0/0:0)	1.3445	0.8396	0.8442	0.9436
MG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0/0:0)	1.1025	1.2517	0.6291	1.0332
MG(22:4(7Z,10Z,13Z,16Z)/0:0/0:0)	1.1649	0.4556	1.5016	0.7558
MG(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0/0:0)	0.9259	1.2692	0.8809	0.8480
MG(i-17:0/0:0/0:0)	0.7692	0.9542	1.3275	0.8983
MG(O-18:0/0:0/0:0)	0.9058	1.0074	1.2049	0.7350
MG(P-18:0/0:0/0:0)	1.0965	1.0875	0.8475	0.9371
Milciclib	0.4797	1.7652	0.8238	0.8626
Mono(1-ethylhexyl) phthalate	0.9855	0.9939	0.8969	1.2475
Monoelaidin	1.4466	0.6176	1.0404	0.7907
Mono-ethylhexylphthalate	0.9971	0.9655	0.9978	1.0791
Monolinolenin (9c,12c,15c)	1.2352	0.7418	1.0080	1.0300
Monooctyl phthalate	1.1517	0.8684	0.8626	1.2346
Monopropionylcadaverine	1.5496	0.4395	0.9844	1.0530
(Morpholinoimino)acetonitrile	1.3846	0.6458	0.9832	0.9728
m-Tolual acid	0.6984	1.1725	1.1160	1.0262
Myristoylglycine	0.3384	2.0457	0.6220	0.9879
(±)-Myrtenyl acetate	1.3902	0.5217	1.0468	1.0826
N-(1,3-Dihydroxyoctadec-4-en-2-yl)acetamide	0.8128	0.4997	1.7119	0.7846
N-(1-Adamantyl)urea	1.5779	0.6232	0.7738	1.0502
N-(1-Deoxy-1-fructosyl)alanine	0.8542	0.8548	1.4317	0.7186
N-(1-Deoxy-1-fructosyl)phenylalanine	1.1674	0.7593	1.0549	1.0368
N-(1-Deoxy-1-fructosyl)valine	1.1189	1.0719	0.7718	1.0746
N1,N12-Diacetylspermine	1.1391	1.1022	0.8498	0.8180
N1,N8-Diacetylspermidine	0.8654	0.9085	1.1938	1.0646
N-(2-(1-naphthalenyl)ethyl)cyclobutanecarboxamide	1.4560	0.6213	0.8996	1.0462
N,2,3-Trimethyl-2-(1-methylethyl)butanamide	1.0113	0.8989	1.1258	0.9281
N-(2-hydroxyethyl)nicotinamide	1.2642	0.7347	0.9296	1.0545
N-(3-Hydroxypropyl)valine	0.9302	0.8191	1.3210	0.8595
N-(3-Indolylacetyl)-L-isoleucine	1.3592	0.6282	0.9310	1.1633
N-(3-Methylbut-2-EN-1-YL)-9H-purin-6-amine	1.1718	0.8434	0.9432	1.0832
N-(3-oxo-hexanoyl)-homoserine lactone	1.2385	1.0793	0.6890	0.9864
N-(4-Amino-2,5-diethoxyphenyl)benzamide	0.3562	0.9562	1.4555	1.4644
N-(4-Aminobenzoyl)-L-glutamic acid	1.1085	0.8833	1.0394	0.9376
N-(5-Methyl-3-oxohexyl)alanine	0.7851	0.6639	1.4930	1.1161
N-(6-aminohexanoyl)-6-aminohexanoic acid	0.7523	1.3419	0.9379	0.9359
N6-Succinyl adenosine	1.8775	0.4092	0.6575	0.9973
N8-Acetylspermidine	0.6222	1.2942	0.9936	1.1800
N-Acetyl-5-methoxykynuramine	1.5776	0.8599	0.8015	0.5221
N-acetyl-beta-D-galactosamine	0.8596	1.0805	1.1230	0.8739
N-Acetylcadaverine	1.5682	0.4926	0.9169	1.0445
N-acetyl-D-galactosamine	0.9762	0.7688	1.2664	0.9770
N-Acetyl-Dl-Glutamic Acid	1.1339	1.0542	0.8798	0.8642
N-Acetyl-DL-leucine	0.6207	1.1154	1.0893	1.3493
N-Acetylisoleucine	1.1807	0.7597	1.0530	1.0132
N-Acetyl-L-aaline	1.0177	0.5342	1.4132	1.0699
N-Acetyl-L-histidine	1.2510	0.8589	0.9168	0.9465
N-Acetyl-L-leucine	0.6582	1.2177	1.1525	0.9433
N-Acetyl-L-phenylalanine	0.7935	1.1470	1.0590	1.0011
N-Acetylmannosamine	0.3701	1.3414	1.7050	0.1670
N-Acetylneuraminate	0.6355	1.1399	1.4532	0.5428
N-acetyl putrescine hydrochloride	1.8968	0.6403	0.4656	0.9945
N-Acetylthreonine	1.1630	0.8557	0.9920	0.9786
N-acetyl-tryptophan	1.0384	1.4853	0.5582	0.8361
NAE 16:4	0.7928	0.9557	1.2158	1.0714
NAE 20:1	0.8631	0.8454	1.3370	0.9090
NAE 20:4	0.8870	0.4189	1.8858	0.6165
Nalpha-Acetyl-L-lysine	0.9000	1.0893	1.0467	0.9278
N-Benzyladenine	1.9367	0.5825	0.4653	1.0309
NCGC00091907-03_C15H22O3_(2E)-3-[(1R,4S,7R,7aR)-1-Hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylacrylic acid	0.8188	0.8565	1.2979	1.0537
NCGC00168838-03_C30H46O5_(1R,2S,5aR,5bR,7aS,10R,12bR)-2-Hydroxy-10-isopropenyl-3,3,5a,5b,12b-pentamethyloctadecahydrodicyclopenta[a,i]phenanthrene-1,7a(1H)-dicarboxylic acid	1.0503	0.9172	1.0974	0.8702
NCGC00169889-02_C15H24O3_2-[(2R,4aR,8R,8aR)-8-Hydroxy-4a,8-dimethyldecahydro-2-naphthalenyl]acrylic acid	1.3007	0.8230	0.8855	0.9818
NCGC00179701-03_C30H46O4_Lup-20(29)-en-28-oic acid, 6-hydroxy-3-oxo-, (5xi,9xi,18xi)-	1.0671	0.6882	1.2338	1.0217
NCGC00180746-02_C30H48O6_Olean-12-en-28-oic acid, 2,3,19,24-tetrahydroxy-, (2alpha,3beta,5xi,9xi,19alpha)-	1.6197	0.6566	0.7220	1.0033
NCGC00253541-03_C27H40O2_(2R)-2,8-Dimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-6-chromanol	0.6621	1.0393	1.2755	1.0463
NCGC00347573-02_C18H25NO3_2-Heptenamide, 7-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-, (2E)-	1.3168	0.9481	0.8315	0.8074
NCGC00347586-02_C30H46O6_3,19-Dihydroxyurs-12-ene-23,28-dioic acid	1.0949	0.7108	1.1270	1.1348
NCGC00347620-02_C22H34O4_7-Oxabicyclo[4.1.0]hept-3-ene-2,5-diol, 4-(hydroxymethyl)-1-[(1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-1-naphthalenyl)methyl]-	1.5035	0.7424	0.8877	0.7327
NCGC00347703-02_C30H44O5_Lup-20(29)-ene-27,28-dioic acid, 3-oxo-, (5xi,9xi,18xi)-	1.5073	0.4585	1.0226	1.0233
NCGC00347704-02_C24H32O7_2H-Oxireno[1,10a]phenanthro[3,2-b]furan-10(11bH)-one, 5,7-bis(acetyloxy)-3,3a,4,5,6,7,7a,7b,8,8a-decahydro-4,4,7a,11-tetramethyl-, (1aS,3aR,5S,7S,7aR,7bS,8aR,11bR)-	1.1617	0.9272	1.1001	0.6221
NCGC00380668-01_C48H78O18_(3beta,5xi,9xi,22beta)-22,24-Dihydroxyolean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid	0.7535	1.3997	0.8130	1.0676
NCGC00380735-01_C15H22O4_Naphtho[2,3-b]furan-2(4H)-one, 4a,5,6,7,8,8a,9,9a-octahydro-9,9a-dihydroxy-3,4a,5-trimethyl-, (4aR,5S)-	1.0770	0.5698	1.2839	1.1388
NCGC00380833-01_C20H28O5_Gibbane-1,10-dicarboxylic acid, 2-hydroxy-1,4a-dimethyl-8-methylene-, (1alpha,2beta,4aalpha,4bbeta,10beta)-	1.2190	0.6498	1.1187	1.0250
NCGC00380930-01_C15H26O4_1H-Indene-4-carboxylic acid, octahydro-3a-hydroxy-3-(hydroxymethyl)-1,1,3,5-tetramethyl-	1.1930	0.7061	1.0655	1.0707
NCGC00380966-01_C12H16O4_6H-2-Benzopyran-6-one, 1,7,8,8a-tetrahydro-7,8-dihydroxy-3,5,7-trimethyl-, (7S,8S,8aS)-	1.3824	0.3660	1.2191	1.0651
NCGC00381156-01_C24H30O6_Methyl 3-[(1E,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-8-hydroxy-6a,8-dimethyl-6-oxo-6a,8,9,9a-tetrahydro-6H-furo[2,3-h]isochromene-9-carboxylate	1.1634	0.8930	0.8044	1.2786
NCGC00381404-01_C14H22O3_2-Naphthalenecarboxylic acid, 3,4,4a,5,6,7,8,8a-octahydro-3-hydroxy-5,5,8a-trimethyl-	0.6197	1.0357	1.3027	1.0837
NCGC00381408-02_C16H24O4_4-Hydroxy-1-methoxy-6,6,9a-trimethyl-4,5,5a,6,7,8,9,9a-octahydronaphtho[1,2-c]furan-3(1H)-one	1.3478	1.1645	0.5246	0.9262
NCGC00385243-01_C12H18O4_{(1R,2R)-2-[(2Z)-5-Hydroxy-2-penten-1-yl]-3-oxocyclopentyl}acetic acid	1.3475	0.7821	0.8355	1.0700
NCGC00385253-01_C30H44O7_(2S,4R,9beta,16alpha,23E)-2,16,20,25-Tetrahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,23-diene-1,11,22-trione	1.1833	0.5323	1.2870	0.9949
NCGC00385291-01_C19H30O8_3-Buten-2-one, 4-[4-(beta-D-glucopyranosyloxy)-2-hydroxy-2,6,6-trimethylcyclohexylidene]-	0.9754	0.9555	1.0414	1.0553
NCGC00385795-01_C18H28O3_2H-Pyran-2-one, tetrahydro-4-hydroxy-6-[2-(1,2,4a,5,6,7,8,8a-octahydro-2-methyl-1-naphthalenyl)ethyl]-	1.3185	0.7903	0.8894	1.0035
NCGC00385885-01_C15H22O4_(3aS,4S,7aR)-4-Hydroxy-5-[(2S)-5-hydroxy-2-pentanyl]-6-methyl-3-methylene-3a,4,7,7a-tetrahydro-1-benzofuran-2(3H)-one	0.8491	1.1022	1.0325	1.0324
NCGC00385923-01_C15H22O4_2-[(1E,3E)-1,3-Hexadien-1-yl]-5-(3-hydroxy-2-methoxypropyl)-2-methyl-3(2H)-furanone	1.0356	0.6538	1.2561	1.1089
NCGC00385955-01_C21H26O4_4-Allyl-1-{[1-(3,4-dimethoxyphenyl)-2-propanyl]oxy}-2-methoxybenzene	0.9029	1.0574	1.0561	0.9673
NCGC00386020-01_C18H28O3_8-{(1S,5R)-4-Oxo-5-[(2Z)-2-penten-1-yl]-2-cyclopenten-1-yl}octanoic acid	1.2702	0.6883	1.0159	1.0511
n-decanohydroxamic acid	1.3212	NA	NA	0.3576
N-decanoyl-L-Homoserine lactone	1.1124	1.1567	0.7187	1.0242
N-Demethyltramadol	1.6438	0.5258	0.8438	0.9730
N-deoxyfructosylacetyllysine_isomer2	0.9559	0.9637	1.0861	0.9886
N-deoxyfructosylleucylisoleucine	1.5492	0.5715	0.8396	1.0796
Nefopam N-oxide	1.0785	0.7083	1.2836	0.8593
Neodihydroprotolichesterinic acid	0.9688	1.1213	0.9404	0.9391
Neotigogenin Acetate	1.1720	0.6547	1.1614	1.0239
N-Ethyl-2-methyl-2-propen-1-amine	1.1745	0.7082	1.1431	0.9484
N-Fructosyl isoleucine	0.9340	1.1833	1.0704	0.6248
N-Fructosyl phenylalanine	1.1719	0.8355	0.9662	1.0528
Nicotinamide, N-(2-hydroxyethyl)-	1.2640	0.8043	0.9052	1.0531
Nicotinamide N-oxide	0.6976	0.5648	1.9378	0.5996
Nicotinic acid	0.8382	1.0137	1.2314	0.8333
Nicotinic acid ribonucleoside	1.5385	0.6098	0.8481	1.0072
Nicotinoylcholine	1.3665	0.7303	0.8499	1.1065
N-Lactoylleucine	1.5154	0.4545	1.0783	0.9038
N-Lauroylglycine	1.4157	0.5996	0.9470	1.0754
N-Linoleoyl Glutamine	0.7215	1.1170	1.1584	1.0064
N-Linoleoyl Leucine	1.4263	0.6344	1.1034	0.6718
N-Linoleoyl Lysine	0.8624	1.1024	1.1769	0.7167
N-Methyl-2-pyrrolidone	0.9329	1.0719	0.8778	1.2348
N-methyl-4,6,7-trihydroxy-1,2,3,4-tetrahydroisoquinoline	1.0782	0.8740	1.0940	0.9075
N-Methyldioctylamine	0.7298	1.1871	1.1805	0.8055
N-Methyldodecylamine	0.9213	0.9035	1.2223	0.9058
N-Methylhydantoin	1.6303	1.1444	0.5036	0.4436
N-Methylisoleucine	0.7107	0.8120	1.4441	1.0666
N-Methylpiperidine	0.9030	1.1686	0.9366	0.9835
N-Methylproline	0.9004	1.0245	1.0424	1.0654
N-Methylschinifoline	2.5805	0.1058	0.2093	0.9108
N-Methylthreonine	1.0217	0.9709	0.9956	1.0238
N,N-Diethylbenzeneacetamide	0.7740	1.1341	1.0468	1.0902
N,N-Dimethyldecylamine oxide	0.9147	0.9143	1.2241	0.8940
N,N-Dimethyldodecylamine	0.8632	0.9782	1.2377	0.8419
N,N-Dimethyloctadecylamine	0.7313	0.5026	1.8696	0.5722
N,N-dimethyl-proline-proline betaine	1.3578	0.9054	0.6801	1.1135
N,N-dimethyl-Safingol	0.6435	1.1330	1.3260	0.7949
N,N-Dimethylsphingosine	0.6451	1.4401	1.0029	0.8237
N,N-Dimethyltetradecylamine-N-oxide	0.8305	0.8662	1.3496	0.9073
N-Oleoylethanolamine	0.8618	0.6660	1.5367	0.8709
N-Oleoyl Leucine	1.0247	0.9310	1.1872	0.6911
nona-3,5-dienoic acid	1.3902	0.4751	1.2384	0.7925
Nonaethylene Glycol	0.7222	1.1766	1.0830	1.0364
Nona-trans-2-cis-6-dien-1-al	0.9767	1.2380	0.9305	0.7096
Norambreinolide	1.1593	0.7554	1.0656	1.0395
Norepinephrine	0.9130	1.1606	0.9707	0.9113
Norfenefrine	1.2699	0.4285	0.7250	2.1534
Norleucine	1.0810	0.9142	0.9523	1.1049
Normetanephrine	1.0577	0.9006	1.0401	1.0034
Norpandamarilactonine A	1.1556	0.7013	1.1630	0.9601
N-Palmitoyl Leucine	1.1906	0.6654	1.2927	0.8003
N-Palmitoyl Lysine	0.6813	1.4948	0.9002	0.8475
N-Palmitoyl Valine	1.1641	0.5627	1.3570	0.8323
n-Pentadecylamine	0.8458	0.8746	1.3344	0.8904
Nuatigenin	0.9011	1.0818	1.0116	1.0110
N-Valylphenylalanine	0.9324	0.9219	1.0044	1.2828
NVE_247.1330_17.3	1.0456	0.8114	1.1052	1.0757
O-arachidonoylcarnitine	0.2113	2.3129	0.5426	0.8664
Octadeca-2,4-dienedioic acid	1.0525	0.8044	1.0846	1.1169
Octadeca-6,9,12,15-tetraenoic acid	1.6497	0.5779	0.8894	0.7659
Octadecadienoate	1.2362	0.5702	1.2638	0.8596
Octadecanamide	1.0569	0.7868	1.2357	0.8411
Octaethylene glycol	0.8923	1.0469	1.0501	1.0215
Octopamine	0.5964	1.6824	0.7303	0.9817
Octyl phenylacetate	0.8346	1.1405	1.0766	0.8966
o-Cymene	0.7275	1.0134	1.2133	1.0915
Oleamide	0.7431	1.2662	1.0377	0.9060
Oleanane -4H, + 2O	1.2581	0.5262	1.2107	1.0101
Oleoyl Ethyl Amide	0.6600	0.6785	1.6837	0.9558
Oleyl sarcosine	1.3447	0.5536	1.1749	0.8537
Opthalmic acid	1.7283	0.7043	0.6588	0.8173
Oseltamivir acid	1.1950	1.0891	0.8611	0.7095
o-Tyrosine	0.6890	0.9984	1.2535	1.1181
Oxindole	0.7233	1.2491	1.0109	1.0335
PA(8:0/13:0)	1.7232	0.8991	0.6100	0.5354
p-Acetaminobenzaldehyde	1.1487	0.8448	1.0328	0.9475
Palmitamide	1.1166	0.7399	1.2455	0.7960
Palmitoleic acid	1.3982	0.7166	0.8874	0.9956
Palmitoleic Acid ethyl ester	0.9218	0.7602	1.3382	0.9596
Palmitoylethanolamide	0.8030	0.9607	1.3285	0.8156
p-Aminobenzoic acid	1.2061	0.7538	1.0959	0.8885
Panaquinquecol 1	1.3356	0.7133	0.9877	0.9268
Panaxynol	1.1332	1.4096	0.5529	0.8086
p-Benzoquinone dioxime	0.9669	0.6695	1.2461	1.2350
PC(0:0/14:0)	1.1624	1.0415	0.8306	0.9311
PC(0:0/18:0)	0.8768	1.0945	1.3176	0.4222
PC(14:1(9Z)/0:0)	1.2250	0.8028	1.0854	0.7735
PC 15:0	0.8171	0.9295	1.2400	1.0269
PC(15:0/0:0)	1.0454	0.9386	1.2341	0.5637
PC(16:0/0:0)	0.9809	1.2721	0.8226	0.8425
PC 16:0_16:0	1.0021	1.2242	0.9540	0.6393
PC(16:0/16:0)	1.2771	0.9137	1.0431	0.5322
PC(16:0/18:1)	1.2231	0.8471	0.9375	0.9844
PC(16:0/18:1(11Z))	1.5331	0.6273	1.0328	0.6136
PC(16:0/18:2)	1.2359	1.1818	0.9277	0.4243
PC(16:0/18:2(9Z,12Z))	1.2091	1.0496	0.7017	1.0793
PC(16:0/20:3)	0.9234	1.0688	0.8352	1.3453
PC(16:0/20:3(5Z,8Z,11Z))	0.7028	0.6629	1.7931	0.6825
PC(16:0/20:4)	1.2338	0.6792	1.2900	0.5938
PC(16:0/22:4)	1.2135	1.0485	0.9168	0.6424
PC(16:0/22:5(4Z,7Z,10Z,13Z,16Z))	1.0861	0.9407	1.1028	0.7409
PC(16:0/22:5(7Z,10Z,13Z,16Z,19Z))	0.9361	1.0385	0.9481	1.1547
PC 16:0e	0.9727	1.1549	0.8893	0.9663
PC(16:0/PGF2alpha)	1.4608	0.4273	1.1876	0.8488
PC(16:1/0:0)	0.8429	0.9796	1.3725	0.6101
PC(16:1/18:1)	0.7934	0.7149	1.4737	1.0361
PC(16:1/22:5)	0.6126	1.0767	1.5486	0.5242
PC(16:1(9Z)/18:0)	1.0216	1.1093	0.9817	0.7748
PC(16:1(9Z)/18:1(11Z))	1.2339	0.9125	1.0476	0.6119
PC(16:1(9Z)/18:1(9Z))	0.7206	0.5688	2.0382	0.3449
PC(16:1(9Z)/20:4(8Z,11Z,14Z,17Z))	1.2582	0.7223	1.0961	0.8470
PC(17:0/18:2)	1.2956	0.9704	0.8989	0.6701
PC(18:0/18:2)	0.9559	0.9935	1.0064	1.0884
PC(18:0/18:2(9Z,12Z))	0.9295	0.8064	1.4259	0.6766
PC(18:0/18:3)	1.0451	0.9650	0.9953	0.9891
PC(18:0/20:4)	1.0490	1.1874	0.9056	0.7160
PC(18:1(11Z)/16:1(9Z))	1.1342	1.0757	0.8992	0.7818
PC(18:1(11Z)/18:1(11Z))	1.1791	0.9707	0.9180	0.8645
PC(18:1(11Z)/18:1(9Z))	0.8851	1.2784	1.0218	0.6296
PC(18:1(11Z)/18:3(6Z,9Z,12Z))	1.1005	1.0001	0.9820	0.8347
PC(18:1/18:1)	1.2002	0.9598	0.9245	0.8311
PC(18:1/20:3)	0.8590	1.3055	0.9354	0.8001
PC(18:1/20:4)	0.9765	0.9894	0.8997	1.2689
PC(18:1/20:5)	1.4334	1.0470	0.7171	0.6049
PC(18:1/22:5)	0.9918	0.6754	1.4307	0.8040
PC(18:1(9Z)/16:0)	0.8983	1.0090	1.1266	0.9323
PC(18:1(9Z)/16:1(9Z))	1.0175	1.1918	0.8352	0.9111
PC(18:1(9Z)/18:1(11Z))	1.0244	0.9840	1.0533	0.8765
PC(18:1(9Z)/18:1(9Z))	0.9763	0.9353	1.0581	1.0606
PC(18:1(9Z)/20:3(8Z,11Z,14Z))	1.3144	0.7592	1.0246	0.8035
PC(18:2/0:0)	1.5292	0.5819	0.9457	0.8863
PC(18:2/18:2)	0.6493	0.8104	1.7750	0.5306
PC(18:2/20:2)	0.8272	0.8159	1.6841	0.3456
PC(18:2/20:3)	1.1073	1.0857	0.8692	0.8757
PC(18:2/20:4)	1.0335	1.1529	1.0117	0.6586
PC(18:2/22:5)	1.1623	0.7064	1.3343	0.5941
PC(18:2(9Z,12Z)/16:0)	1.3468	0.7038	1.0945	0.7098
PC(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	1.1519	0.9694	0.8119	1.1336
PC(18:3/20:1)	1.0390	1.3414	0.7423	0.7545
PC(18:3/20:2)	1.1661	0.9160	0.8660	1.1037
PC(18:3(9Z,12Z,15Z)/18:0)	0.9778	0.8468	1.3270	0.6969
PC(18:4(6Z,9Z,12Z,15Z)/18:1(11Z))	0.8678	0.5666	1.7447	0.6417
PC(20:0/14:1(9Z))	0.9408	1.3759	0.8846	0.5974
PC(20:0/18:4(6Z,9Z,12Z,15Z))	1.1398	0.8630	1.1184	0.7576
PC(20:1(11Z)/14:0)	0.9035	1.3648	0.9302	0.6031
PC(20:1(11Z)/14:1(9Z))	0.7998	1.6443	0.6484	0.8152
PC(20:2(11Z,14Z)/14:0)	1.0060	0.9727	1.0135	1.0156
PC(20:2(11Z,14Z)/16:0)	1.1128	0.8840	0.9651	1.0763
PC(20:2(11Z,14Z)/16:1(9Z))	1.0433	0.8048	0.8598	1.5842
PC(20:2/20:4)	0.9465	0.7953	1.1567	1.2030
PC(20:3/0:0)	0.5446	1.6480	0.7741	1.0665
PC(20:3/20:4)	1.4862	0.6922	0.9593	0.7246
PC(20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z))	1.2580	0.9458	0.9783	0.6356
PC(20:3(8Z,11Z,14Z)/16:0)	1.1266	1.3297	0.7393	0.6088
PC(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z))	1.0693	0.9430	1.1659	0.6436
PC(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))	1.4515	0.8015	0.6532	1.1878
PC(20:4(5Z,8Z,11Z,14Z)/16:0)	1.3581	0.9421	0.8544	0.6907
PC(20:4(5Z,8Z,11Z,14Z)/18:0)	0.8902	0.9770	1.2095	0.8465
PC(20:4(8Z,11Z,14Z,17Z)/18:1(11Z))	1.2069	0.8006	1.0478	0.8894
PC(20:5(5Z,8Z,11Z,14Z,17Z)/16:0)	1.0702	0.7142	1.0088	1.4136
PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))	2.1641	0.7133	0.4521	0.5933
PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:2(11Z,14Z))	1.1376	0.9289	1.0086	0.8498
PC(22:1(13Z)/14:1(9Z))	1.0266	1.0275	1.0194	0.8530
PC(22:2(13Z,16Z)/14:0)	0.9627	1.0145	1.0462	0.9531
PC(22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	1.3644	0.8172	1.0268	0.5830
PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	1.3812	0.8335	0.8056	0.9595
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	1.0047	1.1468	0.9847	0.7277
P-Chlorophenylalanine	1.4585	0.7971	1.0149	0.4590
PC(O-16:1/0:0)	0.5016	1.6461	0.8560	0.9927
PC O-18:0	0.8823	1.4250	0.7322	0.9210
PC(P-16:0/20:4(6E,8Z,11Z,14Z)+=O(5))	0.5840	0.5145	1.8420	1.1189
PC(P-18:1(9Z)/18:2(10E,12Z)+=O(9))	1.0807	1.0866	0.9506	0.7643
p-Cymene	1.3841	0.8910	0.7578	0.9343
PE(16:1/0:0)	0.6858	1.2892	0.9596	1.1309
PE(17:1(9Z)/0:0)	1.1031	0.7551	1.0393	1.2051
PE(18:1(9Z)/0:0)	0.7862	1.0598	1.4814	0.3452
Peiminine	1.2610	0.7527	0.9627	1.0470
Pempidine	1.0571	0.9724	0.9673	1.0065
Pentaethylene glycol	0.9341	1.3270	0.8982	0.6813
Pentedrone	0.9753	0.9609	1.0448	1.0378
PE O-11:0_6:0	1.0052	0.6020	1.4269	0.9319
PE O-12:0_2:0	1.4799	0.3158	1.2895	0.8296
PE O-13:1_3:0	1.0097	0.7428	1.3427	0.8095
PE O-14:0_4:0	0.8081	1.3976	0.8836	0.8214
PE O-14:1_4:0	0.7325	0.7722	1.5619	0.8667
PE O-15:1_3:0	0.7573	0.7750	1.5164	0.9026
Persin	0.5101	2.7512	0.4310	0.7829
Pesticide3_Fenuron_C9H12N2O_Urea, N,N-dimethyl-N^-phenyl-	1.6725	0.5949	0.7373	0.9906
Pesticide3_Pirimicarb_C11H18N4O2_2-(Dimethylamino)-5,6-dimethyl-4-pyrimidinyl dimethylcarbamate	1.2115	0.7654	1.0144	1.0173
Phantasmidine	0.5135	0.9204	1.5319	1.0685
Phe-C4:0	0.6736	1.0557	1.3163	0.9086
Phenacylamine	0.8448	0.7852	1.2371	1.2658
Phenethylamine	1.2854	0.9063	0.8686	0.8795
Phenethylamine glucuronide	1.1010	0.6562	1.2340	1.0174
Phenol, 4-(2-aminoethyl)-	1.1716	0.8089	1.1799	0.6791
Phenylacetaldehyde	0.9708	1.1264	0.8707	1.0641
Phenylalanylproline	1.1836	0.8976	0.9145	1.0085
Phenylalanylthreonine	0.8802	0.8188	1.2967	1.0086
Phenylethanolamine	1.2678	0.8035	0.9027	1.0520
phenylethylamide 359	1.3877	0.4224	1.7674	0.3593
Phenyl glucuronide	1.3828	0.6772	0.8874	1.1051
Phenylpropionylglycine	1.2801	0.6402	1.0876	0.9843
Phloionolic acid	1.5578	0.7392	0.6898	1.0266
Photopyrone G	1.2464	0.8094	0.9764	0.9356
Physoperuvine	1.0291	0.7778	1.1870	1.0123
Phytosphingosine	1.2694	0.4713	1.6450	0.4437
Phytosphingosine (not validated, isomer of 1697)	0.7767	0.9694	1.2964	0.9151
Pimibendan	1.4879	0.6509	1.0318	0.6588
Pinolenic acid	1.0489	0.9034	1.0538	0.9879
Pipecolic acid ethyl ester	1.4559	0.7656	0.7598	1.0373
Pipecolinic Acid	0.9739	1.2075	0.8743	0.8887
Piperdial	1.0697	0.8891	1.1023	0.8777
piperettine	0.9985	1.1534	0.9950	0.7063
Piperidine	1.2937	0.6844	0.9665	1.1109
Pirimicarb-desamido	1.4032	0.6922	0.8720	1.0653
Pivaloylcarnitine	1.2457	1.2100	0.7216	0.6456
Polyoxyethylene (600) monoricinoleate	0.5336	0.3703	2.3519	0.4884
poriferasta-5,22E-dien-3beta-ol	0.6750	1.2274	0.9141	1.3669
Porphobilinogen	0.9693	1.0096	1.0461	0.9501
Possible Lac-Val	1.3842	0.7648	0.7345	1.2330
Pregnenolone	0.5384	1.8936	0.7443	0.6474
Pregnenolone acetate	1.2041	0.8882	0.9147	0.9860
Prenyl isobutyrate	1.1308	0.9009	0.9430	1.0507
PRI_273.1234_9.3	1.2120	0.9892	0.7833	1.0309
Pro Asp Ile	0.9097	0.5455	1.6172	0.8552
Pro Asp Leu	1.0278	1.0118	1.0331	0.8545
Pro Gly Leu Asp	1.4594	0.9410	0.8058	0.5876
Pro Gly Val	1.3070	0.8330	0.7553	1.2094
Pro Ile Asp Asn	1.2455	1.3777	0.3705	1.0128
Prolylproline	1.1278	0.9984	0.8663	1.0149
Pro Lys Lys	1.4131	0.7494	0.8015	1.0718
Propham	0.6762	1.2322	1.2376	0.7079
Propionylcarnitine	1.8941	0.6306	0.5016	0.9475
Pro Pro	1.2242	0.6899	1.0849	1.0021
Pro Pro Lys Gly	1.4675	0.7158	0.8549	0.6858
Pro Pro Pro	1.1473	1.0337	0.7956	1.0468
Prostaglandin lactone-diol	1.2020	0.7866	0.9883	1.0463
Protoporphyrin IX	0.6889	1.7472	0.8438	0.6892
Pro Val	1.1476	1.1562	0.8596	0.6732
Pro Val Ile	1.2846	0.5897	1.0276	1.1963
PS 21:0	1.1379	0.9080	0.8542	1.1997
Pseudoecgonine	0.8493	0.7638	1.3180	1.1377
Psychosine	0.3602	1.7129	1.0277	0.7985
p-tert-Octylphenol decaglycol ether	1.0002	1.0301	0.9574	1.0245
p-tert-Octylphenol heptaglycol ether	0.9949	1.0236	0.9636	1.0357
p-tert-Octylphenol hexaglycol ether	0.9861	0.9935	1.0003	1.0401
p-tert-Octylphenol nonaglycol ether	0.9870	1.0612	0.9655	0.9726
p-tert-Octylphenol pentaglycol ether	1.0019	0.9955	0.9447	1.1156
p-tert-Octylphenol tetraglycol ether	1.0002	0.9720	0.9816	1.0924
p-tert-Octylphenol undecaglycol ether	1.0263	0.9944	0.9958	0.9669
Putative (3-hydroxyheptadecanoyl)glycine	1.0823	0.8558	1.1530	0.8176
Putative (3-hydroxyhexadecanoyl)glycine (aka Commendamide)	1.0638	0.6530	1.3573	0.8517
Putative (3-hydroxyhexadecanoyl)lysine	0.5753	1.2860	1.0952	1.0870
Pygenic acid C b	0.8985	0.8803	1.2278	0.9868
Pyridazine-3,6-diol	0.9879	0.7554	1.1806	1.1520
Pyridoxal	0.9363	0.9955	1.0365	1.0636
Pyridoxamine dihydrochloride	1.0469	0.9939	0.9358	1.0468
Pyridoxine	0.1706	1.2734	1.9123	0.3149
Pyrimido[1,2-a]azepine, 2,3,4,6,7,8,9,10-octahydro-	1.0338	1.1667	0.8296	0.9400
Pyrogallol	1.0119	0.7848	1.2001	1.0064
Pyroglutamate	0.7273	0.8177	1.2994	1.3111
PyroglutamylIsoleucine (isomer of 1005)	1.0052	0.9232	1.0325	1.0782
Pyropheophorbide a	0.1422	0.3317	2.3311	0.6584
Quinamide Isopropylidene	1.1557	0.7325	1.1081	1.0075
Quinoline	1.5916	0.6833	0.7605	0.9292
Quinoline N-oxide	1.0508	0.7015	1.2016	1.0923
Quinuclidine	1.0454	0.6660	1.3302	0.9168
(R)-2-Nitro-p-mentha-1,5-diene	1.2008	0.7149	1.1238	0.9209
(R)-4-((1R,3S,5R,8S,9S,10S,13R,14S,17R)-1,3-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	1.3407	0.9591	0.7222	0.9559
(R)-4-((1R,3S,5S,7R,8S,9S,10S,12S,13R,14S,17R)-1,3,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	0.6992	0.8028	1.5014	0.9930
(R)-4-((3R,5R,6R,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	1.2212	0.8464	0.7721	1.3206
(R)-4-((3R,5R,6R,7S,8R,9S,10R,12S,13R,14S,17R)-3,6,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	0.5305	1.4250	1.0295	1.0301
(R)-4-((3R,5R,6R,7S,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	1.2117	0.6399	1.1244	1.0482
(R)-4-((3R,5R,6R,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	1.0422	0.8132	1.0728	1.1435
(R)-4-((3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-(sulfooxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	0.5091	0.4876	1.8282	0.8449
(R)-4-((3R,5R,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-6-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	0.5447	0.3983	2.0267	1.0606
(R)-4-((3R,5S,7S,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	0.9075	0.9542	1.0737	1.1291
(R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pent-2-enoic acid	1.1561	0.8581	0.9610	1.0498
(R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7,12-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	0.8266	0.9489	1.1345	1.1800
(R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pent-2-enoic acid	0.8579	1.1811	0.8841	1.1539
(R)-4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	0.8301	0.8091	1.3340	1.0536
(R)-4-((5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	1.1279	0.8010	1.0034	1.1354
(R)-4-((7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	0.4493	0.0605	4.8146	0.1846
(R)-4-((8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid	0.7148	1.5467	0.6777	1.1217
rac-B-tocopherol	1.0931	1.3751	0.9929	0.2006
(R)-ar-Turmerone	1.1602	0.6996	1.0869	1.1065
(R)-b-amino-isobutyric acid	0.8493	1.0309	1.1824	0.8745
(R)-Higenamine	2.1170	0.1120	0.4469	0.7602
Rilmenidine	1.3116	0.6018	1.0414	1.0906
RisedondrateNa	1.1001	1.0187	0.9374	0.8877
Rivastigmine tartrate (Exelon)	1.1971	0.7321	1.1186	0.9042
(R)-N-Methylsalsolinol	0.9669	1.0717	1.0641	0.7946
Roccellaric acid	0.6935	0.4419	2.0005	0.7281
(R)-Salsolinol	1.3644	0.7582	0.8548	1.0453
Salicylaldehyde	1.1328	0.8693	0.9719	1.0522
Salsoline	0.7461	0.9299	1.1904	1.2672
Salsoline-1-carboxylate	1.5176	0.4402	1.0666	0.9512
Salsolinol 1-carboxylate	1.2678	0.6674	1.0363	1.0569
(+)-Samandarine	0.5524	0.7179	1.7090	1.0413
Sarcosine	0.8536	1.2281	1.0675	0.7014
Saringosterol 3-glucoside	0.4953	1.8124	0.9215	0.8122
SC-514	1.1170	1.2204	0.6765	0.9721
Schidigeragenin B	0.9717	1.1428	0.6203	1.5304
Scopoletin	1.2497	0.7874	1.1293	0.7350
Sebacic acid	1.1221	0.6554	1.1861	1.0728
Sebacic acid monomethyl ester	1.1243	0.7805	1.0331	1.0511
Sedanonic acid	0.9597	1.4355	0.5652	1.0792
Ser Arg Ser	0.9609	1.0261	1.0150	0.9959
Ser Arg Tyr	0.8131	0.9233	1.1369	1.2022
Ser Ile Leu Leu	0.3245	1.3247	1.2707	1.1600
Serine	1.2697	0.9200	0.7203	1.1800
Seritranolides C	1.2262	1.0550	0.6681	1.1013
Ser Leu	0.9788	1.1397	0.8294	1.1043
Ser-Leu	0.9850	0.8619	1.2570	0.7461
Ser Leu Ile	1.0796	1.3476	0.6978	0.7502
Ser Leu Leu Leu	0.7524	0.9934	1.3212	0.8661
Serotonin	0.8088	0.8142	1.2671	1.2198
Ser Phe	1.2289	1.1212	0.4991	1.3016
Ser Ser Ile	1.1164	1.0196	1.0868	0.5543
Ser Tyr Arg	1.0121	0.9905	0.9189	1.1570
Serylvaline	0.9118	1.2229	0.8767	0.9772
shandong university	1.1086	0.9161	0.9685	1.0137
(S)-Hexahydropyrrolo[1,2-a]pyrazine-1,4-dione	1.2146	0.9403	0.8160	1.0582
Sinapic acid	0.9941	0.7048	1.2476	1.1068
SM 8:0;2O/22:1	1.3567	0.7433	0.7853	1.2293
(S)-MALATE	1.1934	0.5002	1.2326	1.1478
SM(d18:1/14:0)	0.6533	1.8087	0.8184	0.9784
SM(d18:1/16:0)	1.6901	0.8422	0.2189	0.8415
Sodium taurodeoxycholate	1.1353	1.1142	0.7513	0.9981
Solasodine	1.1266	0.4903	1.8024	0.2156
Sotrastaurin	1.1335	1.2007	0.6624	1.0069
Spermidine	1.3016	0.8687	0.7366	1.1862
sphingosin C16 (Artifact)-emf	0.8648	0.9358	1.2157	0.9675
Spirosta-3,5-diene	0.8605	1.2449	0.8741	1.0409
Spirostane-3,6-dione	0.8939	1.0878	0.7581	1.5204
Spisulosine	0.8458	0.7749	1.4375	0.8837
(S)-p-Mentha-1,8-dien-10-yl acetate	1.0654	0.9624	0.9446	1.0551
Stearidonic acid	0.9384	0.5826	1.4920	0.9741
Stearoylethanolamide	0.9372	1.1077	1.0079	0.8943
Stigmast-22-ene-3,6-dione	0.7942	0.5227	1.7632	0.8398
Stigmast-4,22-diene-3,6-dione	0.8585	0.7573	1.3407	1.0871
Stigmastan-3,5-diene	0.4640	1.5644	0.6743	1.5946
Styrene	1.1060	0.8361	1.0163	1.0833
Suberic acid	1.0814	0.7562	1.1243	1.0761
Suberylglycine	1.1355	0.9070	0.9430	1.0289
Succinate	0.8312	1.6465	0.7441	0.8168
Sugeonol	1.3248	0.7980	0.9578	0.8388
Sumaresinolic acid	0.9847	0.9471	1.0420	1.0525
Taccagenin	1.0417	1.1492	0.7846	1.0491
Taglutimida	1.3274	0.8300	0.8260	1.0334
taurochenodeoxycholic acid	1.9108	0.5958	0.4333	1.1202
Taurocholate	0.9428	1.3183	0.8199	0.8382
Taurocholic acid	1.5325	1.0247	0.4108	1.0641
taurohyodeoxycholic acid	0.9979	1.2364	0.7457	1.0401
(±)-Tembamide	0.8526	0.8172	1.3729	0.9146
Terbucarb	0.8170	1.0092	1.3663	0.6151
tetradeca-2,4,6-trienoic acid	0.9574	0.7926	1.1638	1.1725
tetradeca-3,5,7-trienedioic acid	0.8911	1.1365	0.9612	1.0224
tetradeca-4,7,10-trienoic acid	1.1936	0.7050	1.0588	1.0851
Tetradecylamine	0.8288	0.9013	1.3314	0.8768
Tetrahydrodipicolinate	1.1388	0.6050	1.2537	1.0052
Tetranor 12-HETE	1.2239	0.6489	1.0827	1.0889
TG(10:0/8:0/i-13:0)	1.6556	0.4379	0.8363	0.7657
TG 8:0_9:0_15:0	1.2399	0.4659	1.2617	0.8870
TG 8:0_9:0_16:1	2.1647	0.2868	0.6247	0.7604
TG 8:0_9:0_17:1	0.8757	0.7274	1.3306	0.9508
TG(8:0/i-14:0/10:0)	1.0304	0.5721	1.3315	0.8466
TG 9:0_13:1_18:4	1.8662	0.5390	0.9699	0.2211
Thalictroidine	1.9802	0.5468	0.5178	0.9103
Thiamine cation	2.0203	0.5216	0.6937	0.5288
Thionin	0.9663	0.8177	1.1429	1.1461
Threoninyl-Valine	0.4742	1.1444	1.3475	1.0678
Threonylvaline	1.1456	0.9790	0.8763	0.9982
Thr Leu	1.0254	0.9284	1.0061	1.0801
Thr-Leu	1.1095	0.8699	0.9989	1.0435
Thr Leu Phe	1.2818	0.8496	0.8536	1.0300
Thr Val Ile	1.0422	1.1842	0.7485	1.0502
Thujyl 19-trachylobanoate	0.8367	0.7803	1.4094	0.9472
Thymine	0.9663	0.7863	1.1836	1.1276
Tibolone	0.9055	1.2108	1.0233	0.7210
tigogenin	0.9751	0.9478	1.0781	0.9978
Tolpropamine	0.7278	0.9434	1.3304	0.9967
TOP19 Psoriasis feature - Unknown FeatureID=3668	1.2675	0.9227	0.8908	0.8380
TOP9 Psoriasis feature - Unknown FeatureID=656	1.5084	0.4612	1.0881	0.8848
Trachelanthamine oxide	1.1234	0.8845	1.0114	0.9614
trans-11,cis-15-Octadecadienoic acid	1.4872	0.4009	1.2535	0.7167
trans-Allo-ocimene	0.9342	1.0751	1.0063	0.9687
Trans-Cinnamate	1.2771	0.8062	0.8955	1.0424
trans-EKODE-(E)-Ib	0.8084	0.8574	1.2811	1.1063
trans-Ferulic Acid	1.1213	0.6486	1.2471	0.9659
trans-Zeatin	0.9555	0.8653	1.1208	1.1169
Trehalose	1.1790	0.9745	0.9247	0.8436
Tributylamine	0.9752	0.9099	1.1550	0.9198
Tributyl Phosphate	1.2147	0.7789	1.1778	0.6574
Tridec-8-enoylcarnitine	2.1421	0.5127	0.3813	0.9279
Tridemorph	0.8592	0.8974	1.2864	0.8800
Tridodecylamine	0.9303	0.6984	1.7031	0.3364
Triethylamine	1.1628	1.2173	0.6602	0.9194
Trigonelline	1.2353	0.7030	0.9466	1.2302
Tromethamine	1.0206	1.0213	0.9419	1.0323
Tropic acid	1.2942	0.7793	0.9058	1.0414
Tryptophan Conjugated Muricholic Acid	0.6361	1.1904	1.1587	1.0295
Tryptophol	1.0439	0.7198	1.2481	0.9765
Tyramine glucuronide	1.1106	0.4171	1.8283	0.2880
Tyr Asp Arg	0.8911	0.9356	1.1552	1.0362
Tyr-C4:0	1.2316	0.6483	1.1189	1.0024
Tyr Leu	1.5872	0.7495	0.7297	0.8672
Tyr-Pro	1.2087	0.9243	0.8580	1.0179
Ubiquinone (Q2)	1.2326	0.7820	0.9566	1.0575
undec-5-enedioic acid	0.9046	0.7168	1.3104	1.1364
Uracil	1.1615	0.7853	1.1495	0.8074
Urobilin	0.9329	1.0996	1.0072	0.9205
Urobilinogen	0.6427	1.7563	0.6211	0.9596
Urocanic acid	1.1817	0.6793	1.1095	1.0590
Urothion	0.7069	1.3844	0.9993	0.8188
Vaccenyl carnitine	0.4675	1.6915	1.0742	0.7639
Val	1.3259	0.8159	0.8391	1.0382
Val-DCA	1.1832	1.2505	0.5843	0.9640
Valine	1.2543	1.0296	0.7108	1.0107
Val Pro	0.8264	1.6521	0.5447	0.9535
Val Trp	0.9430	1.1303	0.9169	1.0195
Val-val	1.4122	1.1312	0.5840	0.8314
Val Val Ala	0.8847	0.8655	1.1757	1.1481
Val Val Ile	0.9504	1.0926	0.9247	1.0644
Valylhydroxyproline	0.7192	0.5874	1.6561	1.0747
Valylisoleucine	0.7484	0.7271	1.3082	1.4328
Valylproline	1.0127	1.0083	0.9770	1.0039
Vanillin	1.4455	0.6363	0.9471	0.9421
Vinylcyclohexene	1.5730	0.6805	0.7557	0.9816
Violet-leaf aldehyde	0.9745	1.0276	0.9109	1.2015
VitB12	0.9700	1.2321	0.9385	0.7187
Walleminone	1.0949	0.8535	0.9977	1.0589
Xanthosine	0.6169	1.6743	0.7405	0.9367
Xestoaminol C	0.9385	0.9037	1.1896	0.9366
(Z)-3-Hexenal	1.0497	1.0862	0.9485	0.8312
(Z)-3-Methyl-2-(2-pentenyl)-2-cyclopenten-1-one	1.0915	0.7814	0.9082	1.4376
(Z)-4-Hepten-1-ol	0.9028	1.1431	0.9589	0.9903
(Z)-4-Hexenal	1.0154	1.0167	0.9653	1.0051
(Z)-5-[(2R,3S,4S)-4-Hydroxy-2-[(E)-3-hydroxyoct-1-enyl]oxan-3-yl]pent-3-enoic acid	1.2512	0.7541	0.9912	1.0070
(Z)-5,8,11-trihydroxyoctadec-9-enoic acid	1.1964	0.9092	0.9294	0.9301
(Z)-6-Tetradecene-1,3-diyne-5,8-diol	1.1518	0.7590	1.0793	1.0199
Zerumbone oxide	0.8611	0.8811	1.1544	1.2066
ε-Caprolactone	1.0690	0.5720	1.2376	1.2427

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

Factors:

F1	Sample source:feces | Treatment:OVX + normal saline
F2	Sample source:feces | Treatment:OVX + r-irisin
F3	Sample source:feces | Treatment:Sham + normal saline
F4	Sample source:QC | Treatment:Quality Control