Data for (Study ST004227)

(Analysis AN007035)

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
10-Deacetoxybarbilycopodin	1.2799	0.7201
10-Gingerol	1.4978	0.5022
10R,13aR-Tylophorine N-oxide	0.9611	1.0389
1,1,1,1-Kestohexaose	1.1012	0.8988
1-18:3-lysoPC	1.1194	0.8806
11-Beta-hydroxyandrostenedione	1.5850	0.4150
11-deoxy-PGE1	0.8755	1.1245
1,1-Dichloroacetone	0.9880	1.0120
11-Hydroxyrankinidine	1.6443	0.3557
(+)-12-(2-Cyclopenten-1-yl)-2-dodecanone	1.5556	0.4444
1,2,3-Trimethoxynaphthalene	1.6503	0.3497
1,2-Bis(diphenylphosphino)ethane	1.2211	0.7789
12-Dehydroporson	1.1319	0.8681
12-Demethylmultiorthoquinone	1.1190	0.8810
12-Deoxywithastramonolide	1.4536	0.5464
1,2-Diazenedicarboxamide	1.1094	0.8906
1,2-Dichloropropane	0.8846	1.1154
1,2-dihydroxyheptadec-16-en-4-yl acetate	1.2826	0.7174
1,2-dihydroxyheptadec-16-yn-4-yl acetate	0.9853	1.0147
12-Epinapelline	1.9657	0.0343
1,2-Naphthoquinone	1.2832	0.7168
12-OPDA	1.1366	0.8634
12S-HETrE	0.8241	1.1759
13,14-dihydro Prostaglandin F1alpha	0.7604	1.2396
1,3,2-Dioxathiolane 2,2-dioxide	1.1757	0.8243
1,3,7-Trimethylisoguanine	0.9331	1.0669
1,3,8-Naphthalenertriol	0.9696	1.0304
13beta,29-Dihydroxymilbemycin A3	0.7660	1.2340
1-(3-Chlorophenyl)piperazine	0.6050	1.3950
13-cis-Retinol	1.0963	0.9037
1,3-DIMETHYLURIC ACID	0.5648	1.4352
13-OxoODE	1.1688	0.8312
1,4,8,11-Tetraoxacyclotetradecane	0.9777	1.0223
1,4-Cyclohexanedicarboxylic acid	0.8513	1.1487
1,4-D-Gulonolactone	1.2752	0.7248
1,5-anhydroglucitol	0.9365	1.0635
1,6,10-Phytatriene-3,5,14,15-tetral	1.0365	0.9635
17a-Aza-D-homoandrost-5-en-3beta-ol	0.9767	1.0233
17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate	1.0413	0.9587
17beta-Amino-5alpha-androstan-11beta-ol	0.9416	1.0584
1,8-Diazacyclotetradecane-2,9-dione	0.9664	1.0336
1,8-Dihydroxy-3-methylnaphthalene	0.9707	1.0293
19-Hydroxyconopharyngine	1.0580	0.9420
1-(9Z-Eicosenoyl)-sn-glycero-3-phosphocholine	1.0846	0.9154
1-Amino-2-methylanthraquinone	1.0717	0.9283
1-Anilino-9,10-dioxo-2-anthroic acid	1.1426	0.8574
1-beta-D-glucopyranosyl-L-tryptophan	1.5362	0.4638
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide	0.9727	1.0273
1-Decanethiol	1.0765	0.9235
1-Dodecanesulfonic acid, 1-hydroxy-3-oxo-	1.8290	0.1710
1-Dodecyl-2-pyrrolidinone	0.9153	1.0847
1-dodecylglycerone 3-phosphate	1.2260	0.7740
1-Ethenyl-1-methyl-4-(1-methylethylidene)-cyclohexane	0.9040	1.0960
1F-Fructofuranosylnystose	1.0144	0.9856
1h,8h-Pyrano[3,4-c]pyran-1,8-dione	0.9729	1.0271
1H-Benzotriazole-5-carboxylic acid	1.1105	0.8895
1-heneicosanoyl-glycero-3-phosphate	1.0793	0.9207
1-heptadecanoyl-sn-glycero-3-phosphocholine	1.1002	0.8998
1-heptadecylglycerone 3-phosphate	1.0041	0.9959
1-Hexadecanethiol	1.0277	0.9723
1-Hexadecylamine	0.7922	1.2078
1-Hexadecyl Lysophosphatidic Acid	0.7776	1.2224
1-Hydroxy-2,3,4,5-tetramethoxy-xanthone	1.0994	0.9006
1-Hydroxy-2-naphthaldehyde	1.3811	0.6189
1-Hydroxy-2-naphthoate	0.8822	1.1178
1-Hydroxybenzotriazole	1.1345	0.8655
1-Isopropyl citrate	1.0554	0.9446
1-Kestose	0.9914	1.0086
1-MeO-I3CH2NH2	1.2997	0.7003
1-Methoxyphenanthrene	0.9286	1.0714
1-Methyl-4-phenyl-2H-pyridine	0.9398	1.0602
1-Methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid	1.1224	0.8776
1-Methylguanosine	1.1952	0.8048
1-Methylpseudouridine	1.0707	0.9293
1-Methylxanthine	1.2592	0.7408
1-Monomyristin	0.9157	1.0843
1-Monopalmitin	0.9307	1.0693
1-Nitrosonaphthalene	1.2854	0.7146
1-Nonanethiol	1.3077	0.6923
1-O-Oleyl LPA	1.2523	0.7477
1-O-Palmitoyl-2-O-acetyl-sn-glycero-3-phosphorylcholine	1.1447	0.8553
1-pentadecanoyl-glycero-3-phosphate	0.8257	1.1743
1-Pentanone, 3-hydroxy-1,5-diphenyl-	0.9840	1.0160
(1R,5aS,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylic acid	1.1772	0.8228
(1S,2R)-O-Methylnyasicoside	1.6234	0.3766
20-Deoxyingenol	1.1172	0.8828
20-hydroxy-fusarin	1.0155	0.9845
(20R)-Protopanaxadiol	0.9567	1.0433
(20S)-Protopanaxatriol	0.6785	1.3215
(+/-)-2-(1-Methylpropyl)-4,6-dinitrophenol	0.4338	1.5662
2,2,2-Trifluoroethyl	1.2759	0.7241
2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien	1.1694	0.8306
2,2-Dimethyl-6-(1-hydroxyethyl)chroman-4-one	1.1074	0.8926
2-[[2-[(Dimethylamino)methyl]phenyl]thio]-5-fluoroaniline	1.0206	0.9794
2,3,4,5,2^,6^-Hexamethoxy-3^,4^-methylenedioxychalcone	1.1112	0.8888
2-(3,4-dimethoxyphenyl)ethanamine	0.5493	1.4507
2^,3^-Dideoxyuridine	1.2954	0.7046
2,3-Dihydrofarnesol	1.1988	0.8012
2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone	0.9569	1.0431
2,3-Dimercapto-1-propanol tributyrate	1.2384	0.7616
2,3-DIMETHYL-1,4-HEXADIENE	0.9046	1.0954
(2,3-diphenylcyclopropyl)methyl phenyl sulfoxide	0.9038	1.0962
2,4,5-Trimethoxybenzoic acid	0.8092	1.1908
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(3-hydroxy-1-methylbutyl)-	1.3095	0.6905
2,4,6-Trihydroxybenzoic acid	1.0577	0.9423
2,4,6-Trithiaheptane	0.9942	1.0058
2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile	1.3900	0.6100
2,4-Diamino-6,7-diisopropylpteridine	0.8214	1.1786
2,4-Dinitrophenylhydrazine	1.0903	0.9097
24-methylene-19-norcholesta-1,3,5(10)-trien-3-ol	1.1213	0.8787
2-(4-Morpholinyl)benzothiazole	0.9610	1.0390
2,5-Dimethyl-1,4-dithiane-2,5-diol	1.0767	0.9233
2,5-Furandicarboxylate	1.1378	0.8622
25R-Spirostan-4-ene-3,6,12-trione	1.1268	0.8732
2,6,6-Trimethyl-2-cyclohexene-1,4-dione	1.1101	0.8899
2,6,7-Trihydroxy-9-methylxanthen-3-one	0.7670	1.2330
2,6-Diaminoheptanedioic acid	1.2054	0.7946
2,6-dihydroxyanthraquinone	0.9163	1.0837
2,6-Dimethoxy-1,4-benzoquinone	1.0766	0.9234
2,6-Dimethylquinoline	0.9381	1.0619
2,6-Dithiopurine	0.9470	1.0530
2^-Acetylacteoside	1.6952	0.3048
2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate	0.6110	1.3890
2-amino-1,3,4,5-icosanetetrol	0.9155	1.0845
2-amino-1,3,4-tetradecanetriol	1.1649	0.8351
2-Amino-4-methoxyphenol	0.8684	1.1316
2-aminohexadecanoic acid	0.0992	1.9008
2-Aminooctanoic acid	1.2940	0.7060
2-Benzimidazolecarbamic acid	1.1002	0.8998
2-(Benzo[d][1,3]dioxol-5-yl)-1-methylquinolin-4(1H)-one	0.9678	1.0322
2-Butyl-3-phenyl-2-propen-1-al	1.3835	0.6165
2-Carboxybenzaldehyde	0.9156	1.0844
2^-Deoxyadenosine	0.4878	1.5122
2^-Deoxycytidine	1.0441	0.9559
2^-Deoxymugineic acid	0.5961	1.4039
2^-DEOXYURIDINE 5^-MONO-PHOS-PHATE	0.4907	1.5093
2-Dodecanone	1.0574	0.9426
(2E)-2,6-Dimethyl-2,5-heptadienoic acid beta-D-glucopyranosyl ester	0.8290	1.1710
(2E)-2-dodecen-1-ol	1.0635	0.9365
(2E,4E,12Z)-N-(2-methylpropyl)octadeca-2,4,12-trienamide	0.5709	1.4291
(2E,4E)-1-(Pyrrolidin-1-yl)dodeca-2,4-dien-1-one	1.2106	0.7894
2E,4Z-Octadienal	0.9360	1.0640
(2E)-hexenedioylcarnitine	0.6851	1.3149
2-Fluoroethcathinone	1.3634	0.6366
2-Hexynyl-5^-N-ethylcarboxamidoadenosine	0.9140	1.0860
2^-Hydroxy-3,4,4^,6^-tetramethoxychalcone	0.9698	1.0302
2-Hydroxy-3-carboxybenzalpyruvate	0.5097	1.4903
2-hydroxy-3-methylvalerate	0.9805	1.0195
2-Hydroxy-4-methoxybenzaldehyde	0.9671	1.0329
2-Hydroxy-4-trifluoromethyl benzoic acid	0.2539	1.7461
2-Hydroxycinnamic acid	0.9170	1.0830
2^-Hydroxydaidzein	1.7453	0.2547
2-Hydroxymethyltetrahydropyran	0.9845	1.0155
2-hydroxyoctanoic acid	0.7582	1.2418
2-Isobutyl-3-methoxypyrazine	1.5110	0.4890
2-Linoleoyl Glycerol	1.6005	0.3995
2-linoleoyllysophosphatidylcholine	1.1163	0.8837
2-Methoxycinnamic acid	0.8688	1.1312
2-METHOXYRESORCINOL	0.8996	1.1004
2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate	1.3723	0.6277
2-Methylcitric Acid	1.2872	0.7128
2-Methylcyclopentane-1,3-dione	0.8851	1.1149
2-Methyleneglutarate	0.9285	1.0715
2-Naphthaldehyde	1.4522	0.5478
2-Naphthalenol	0.8823	1.1177
(2-Naphthyl)methanol	1.3112	0.6888
2-Oleoyl-sn-glycero-3-phosphocholine	1.0702	0.9298
2^-O-Methyladenosine	1.1776	0.8224
2^-O-Methylguanosine	1.3378	0.6622
2-palmitoleoyl-glycerol	1.6154	0.3846
2-Palmitoylglycerol	0.9544	1.0456
2-Phenylacetamide	1.0556	0.9444
2-Phenylbutanoic acid	0.6180	1.3820
2-Phenylpropionate	0.9839	1.0161
2-Propenyl 3-(2-propenylsulfonyl)-1-propenyl disulfide	0.8965	1.1035
2-Quinoxalinol, 3-methyl-, 2-formate	1.2261	0.7739
(2R)-2-(2-Hydroxyhydrazinyl)-3-sulfanylidenepropanoic acid	1.0004	0.9996
(2R-trans)-2-Butyl-5-heptyl-pyrrolidine	1.3121	0.6879
(2S)-2-((1S)-1-Hydroxypentyl)-4-methoxy-2,3-dihydropyran-6-one	0.9301	1.0699
(2S)-2-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one	0.6027	1.3973
(2S)-2-Amino-3-[(2-chloroacetyl)amino]propanoic acid	1.0622	0.9378
(2S,2^S)-Pyrosaccharopine	0.9867	1.0133
(2S,4S)-4-Hydroxy-2,3,4,5-tetrahydrodipicolinate	1.2353	0.7647
2-Sulfamoylacetic Acid	1.4957	0.5043
3-(1H-Indol-3-yl)quinoline	0.9599	1.0401
3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid	0.8879	1.1121
3-(2-Hydroxyphenyl)propanoic acid	1.1326	0.8674
(+/-)-3-[(2-methyl-3-furyl)thio]-2-butanone	0.9041	1.0959
3-[(2-Oxoacetyl)oxy]-4-(trimethylazaniumyl)butanoate	1.1897	0.8103
3,3^,4^,5,6,7,8-heptamethoxyflavone	1.0587	0.9413
3-(3,4,5-Trimethoxyphenyl)propanoic acid	1.0051	0.9949
3-(3,4-Dihydroxyphenyl)-1-propanol	1.0545	0.9455
3-(3-Amino-3-carboxypropyl)uridine	1.3712	0.6288
3-(3-Hydroxyphenyl)propionic acid	1.1436	0.8564
3-(3-Methoxyphenyl)propionic acid	1.2854	0.7146
3-[4-(4-Chlorophenyl)cyclohexyl]naphthalene-1,2,4-trione	0.9008	1.0992
3^,4^,5^,5,7-Pentamethoxyflavone	1.2202	0.7798
(3,4,5-trihydroxy-6-methyloxan-2-yl) 2-(methylamino)benzoate	1.4309	0.5691
3,4-Dicaffeoyl-1,5-quinolactone	1.2429	0.7571
3,4-Dihydroxybenzeneacetic acid	0.9845	1.0155
3,4-Dihydroxyhydrocinnamic acid	0.8784	1.1216
3,4-Dihydroxymandelic acid	0.9924	1.0076
3,4-Dihydroxyphenylethyleneglycol	1.0021	0.9979
3,4-Dimethoxyphenylacetic acid	0.7956	1.2044
3,4-Dimethyl-1,2-cyclopentanedione	1.0331	0.9669
3-(4-Hydroxyphenyl)-1-propanol	1.0599	0.9401
3-(4-Hydroxyphenyl)propionic acid	1.0947	0.9053
3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid	0.7883	1.2117
3,4-Methylenedioxymandelic acid	0.7732	1.2268
3,5,3^-Trihydroxy-4^-methoxy-6,7-methylenedioxyflavone	1.0736	0.9264
3,5,7,4^-Tetrahydroxy-3^-methoxy-8-prenylflavanone	1.3233	0.6767
3,5-dihydroxydecanoic acid	1.0158	0.9842
3,5-Dihydroxyphenylglyoxylate	1.1642	0.8358
3^,5-Dimethoxy-4-hydroxy-4^-(3,3-dimethylallyl) stilbene	0.9110	1.0890
3,5-Dimethyl-1,2-cyclopentanedione	1.0194	0.9806
3,5-Dimethyl-2-(3-pyridyl)thiazolidin-4-one	1.0117	0.9883
3,6-Dihydroxydecanoylcarnitine	0.9239	1.0761
3,7-Dihydroxy-2,4-dimethoxyphenanthrene 3-O-glucoside	1.1986	0.8014
3,7-Dimethylguanine	1.3004	0.6996
3,7-Epoxycaryophyllan-6-Ol	0.9970	1.0030
3,8-Dimethoxy-5,7-dihydroxy-3^,4^-methylenedioxyflavone	0.9912	1.0088
3^-Acetylindicine	1.3499	0.6501
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestane	0.4382	1.5618
3alpha-Hydroxy-11beta,13-dihydrodeoxymikanolide	1.0376	0.9624
3alpha-Hydroxyoreadone	1.2008	0.7992
3-Aminoacetophenon	1.0073	0.9927
3-Aminosalicylic acid	0.9551	1.0449
3beta,4alpha,13alpha-Trihydroxylupanine	1.7284	0.2716
3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene	1.6488	0.3512
3beta-Fluoro-5beta-pregnan-20-one	0.9369	1.0631
3beta-Hydroxysolanascone beta-sophoroside	0.8363	1.1637
3b-hydroxy-5-cholenoic acid	1.8987	0.1013
3-Chloro-1-(4-hydroxy-3-methoxyphenyl)-1,2-propanediol	0.9872	1.0128
3-Deamino-3-hydroxykanamycin X	1.1495	0.8505
3-Deoxyestradiol	0.9945	1.0055
3-Dimethylallyl-4-hydroxymandelic acid	0.9675	1.0325
3-Fluoro-5-[3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-5-yl]benzonitrile	0.7278	1.2722
3-(hexadecyloxy)-2-oxopropyl dihydrogen phosphate	1.0404	0.9596
3-hydroxy-3-(3-hydroxyphenyl)propanoic acid	0.8949	1.1051
3-hydroxy-3-methylglutarate	0.9131	1.0869
3-Hydroxy-4-(3-methyl-2-butenyl)bibenzyl	1.0028	0.9972
3-hydroxydecanoylcarnitine	1.1988	0.8012
3-Hydroxyhept-4-enoylcarnitine	1.5766	0.4234
3-Hydroxypicolinic acid	0.8911	1.1089
3^-Hydroxypuerarin	1.7702	0.2298
3-Ketosphingosine	0.9873	1.0127
3-Methoxyanthranilate	0.9370	1.0630
3-Methoxyflavone	1.0140	0.9860
3-Methyladenine	1.2050	0.7950
3-Methylguanine	1.3759	0.6241
3-Methylindole	1.2423	0.7577
3-Methyl-(triazen-1-yl)imidazole-4-carboxamide	0.8216	1.1784
3-O-Angeloylsenecioodontol	0.9610	1.0390
3^-O-beta-Glucopyranosyl plumbagic acid methyl ester	1.5024	0.4976
3-(Octyloxy)propan-1-amine	1.9793	0.0207
3-Oxo-4,6-choladien-24-oic acid	1.6336	0.3664
3-Oxo-7-hydroxychol-4-enoic acid	1.0763	0.9237
3-Oxotetradecanoic acid	0.8440	1.1560
3-Phenyl-4-pentenal	0.9779	1.0221
(+)-(3R)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-ol	1.0024	0.9976
(3R)-3,21-dihydroxyhenicosanoic acid	0.6765	1.3235
(3R)-Vestitol 7-O-glucoside	1.1279	0.8721
(3S,5S)-Carbapenam-3-carboxylic acid	1.1068	0.8932
3-Sulfinylpyruvic acid	0.9442	1.0558
3-Tigloyloxynortropane	1.0061	0.9939
3-Trehalosamine	0.9940	1.0060
4-(2,6,6-Trimethyl-1-cyclohexenyl)-2-butanol	0.9704	1.0296
4-(3-AMINO-2-HYDROXYPROPOXY)PHENYLACETAMIDE	1.6123	0.3877
4-(3-Indolyl)butane-1,2,3-triol	0.9373	1.0627
4-(4,5-Diphenyl-1H-imidazol-2-yl)benzoyl Chloride	1.1546	0.8454
4,4^-Diapophytofluene	0.9856	1.0144
4,4-Difluoropregn-5-ene-3,20-dione	1.2518	0.7482
4,4^-Dihydroxybenzophenone	1.3112	0.6888
4,4^-Methylenebis(2,6-di-tert-butylphenol)	0.8916	1.1084
4^,5,6-Trimethylscutellarein 7-glucoside	1.0569	0.9431
4^,5,7-Trimethoxyflavone	1.0200	0.9800
4,5-Dihydromelampodin B	1.2472	0.7528
4,5-Dimethoxy-1,2-benzenedicarboxylic acid	1.0404	0.9596
4,7-Dimethoxy-1-vinyl-beta-carboline	1.1679	0.8321
4-Allylcatechol	1.0525	0.9475
4beta-Hydroxycholesterol	0.8427	1.1573
4-Carboxypyrazole	1.2508	0.7492
4-Chloro-1,3-dioxolan-2-one	0.9080	1.0920
4-Chlorobenzophenone	1.0091	0.9909
4-Chlorobenzotrifluoride	0.9910	1.0090
4-Coumaroyl-2-hydroxyputrescine	0.7592	1.2408
4^-Demethylpodophyllotoxin	1.0033	0.9967
4-Deoxypyridoxine	0.9176	1.0824
4-(Diethylamino)benzaldehyde	0.9746	1.0254
4-(Dimethylamino)butyl carbamimidothioate	1.1948	0.8052
4-(Dimethylamino)phenylthiocyanate	0.9749	1.0251
4-Ethylphenol	1.0003	0.9997
4-Feruloylquinic acid	1.2194	0.7806
4-(Fluoromethyl)benzoic Acid	1.3954	0.6046
4-Guanidinobutanal	1.2282	0.7718
4-guanidinobutanoate	1.2103	0.7897
4-HADNT O-glucoside	1.3138	0.6862
4-Hydroxy-3,5,5-trimethylcyclohex-2-enone	0.9338	1.0662
4-Hydroxy-5-(dihydroxyphenyl)-valeric acid-O-sulphate	0.9884	1.0116
4-Hydroxy-6-methyl-2-pyrone	0.8332	1.1668
4-Hydroxy-6-nonadecanone	0.6587	1.3413
4-Hydroxyacetophenone	1.3821	0.6179
4^-Hydroxychalcone	0.7798	1.2202
4-Hydroxycinnamic acid	1.0284	0.9716
4-Hydroxyestrone	1.8129	0.1871
4-Hydroxyhippuric acid	1.5927	0.4073
4-Hydroxyphenacyl alcohol	0.8893	1.1107
4-Hydroxyphenylpyruvic acid	1.0637	0.9363
4-Hydroxyproline	1.2588	0.7412
4-Hydroxyvoriconazole	1.0623	0.9377
4-Isopropyl-2-methylphenol	1.0351	0.9649
4-Methoxy-2-methyl-N-phenylaniline	1.8958	0.1042
4-methoxy DMT	0.7765	1.2235
4^-Methoxypuerarin	0.7243	1.2757
4-Methyl-3-oxoadipate	1.0875	0.9125
4^-Methylacetophenone	1.2415	0.7585
4-Methyldaphnetin	1.1965	0.8035
4-methylthiobutyldesulfoglucosinolate	1.0109	0.9891
4-Methylumbelliferyl beta-D-glucuronide	0.8059	1.1941
4-Methylumbelliferyl-beta-D-xylopyranoside	1.5267	0.4733
4-Nitrophenol	1.1970	0.8030
4-Oxopentanoylcarnitine	1.2079	0.7921
4-Phenyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione	1.0711	0.9289
4-tert-Butylphenol	0.9164	1.0836
5,10-Methylene-THF	0.5711	1.4289
5-(10-Nonadecenyl)-1,3-benzenediol	0.6588	1.3412
5-(1-oxopropan-2-yl)isolongifol-5-ene	1.1936	0.8064
5,3^,5^-Trihydroxy-3,6,7,8,4^-pentamethoxyflavone	1.3485	0.6515
5-(4,5-Dihydroxypentyl)uracil	1.2857	0.7143
5-(4-HYDROXYPHENYL)-5-PHENYLHYDANTOIN	0.8489	1.1511
5,6-Dihydrouridine	1.3599	0.6401
5-Acetoxyisogoniothalamin oxide	0.9284	1.0716
5alpha,17alpha-Pregn-2-en-20-yn-17-ol acetate	1.9563	0.0437
5alpha,9alpha-Epidioxy-(22E)-ergosta-7,22-diene-3beta,6beta-diol	0.9898	1.0102
5alpha-Androstan-2-en-17beta-ol	0.8762	1.1238
5-borylporphine	0.8671	1.1329
5-[(Diaminomethylidene)amino]-2-(sulfanylmethyl)pentanethioic S-acid	1.0497	0.9503
(5E,8Z)-4,7-dihydroxy-2-methyl-2,3,4,7-tetrahydrooxecin-10-one	0.6094	1.3906
5-Ethynyl-5^-(1-propynyl)-2,2^-bithiophene	1.7388	0.2612
5-Formylbenzofuran	0.9458	1.0542
5-(Heptadec-12-enyl)resorcinol	0.8990	1.1010
5-Hydroxy-8-methoxycalamenene	1.0060	0.9940
5-Hydroxyflunixin	0.7246	1.2754
5-hydroxyfuran-2-carboxylic Acid	1.1490	0.8510
5-Hydroxyindoleacetylglycine	0.9313	1.0687
5-Hydroxyisourate	0.9731	1.0269
5-Hydroxymethylfurfuryl alcohol	1.0079	0.9921
5-Hydroxytryptophan	1.2925	0.7075
5-Hydroxytryptophol	1.4051	0.5949
5-(Methoxycarbonyl)thiophene-2-carboxylic acid	0.9685	1.0315
5-Methoxymaculine	0.9576	1.0424
5-Methyl-2^-deoxycytidine	1.7269	0.2731
5-Methylangelicin	1.3835	0.6165
5-Methylcoumarin	1.3357	0.6643
5^-Methylthioadenosine	1.4413	0.5587
5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID [NPPB]	0.9812	1.0188
5^-N-Methylcarboxamidoadenosine	1.1010	0.8990
5^-O-beta-D-Glucosylpyridoxine	1.3236	0.6764
5-O-Caffeoylshikimic acid	0.8634	1.1366
5-O-Demethylnobiletin	0.7867	1.2133
5-O-Methylvisamminol	0.9550	1.0450
5-oxoproline	1.1032	0.8968
6,7,8,3^,4^,5^-Hexamethoxyisoflavone	1.1538	0.8462
6,7,8-Trihydroxycoumarin	1.1683	0.8317
6,8-Di-C-alpha-L-arabinopyranosylapigenin	1.0571	0.9429
6alpha-Hydroxy-castasterone	0.7097	1.2903
6beta-Fluoro-5alpha-hydroxypregnane-3,20-dione	0.8625	1.1375
6-cis-Docosenamide	0.6225	1.3775
[6]-Dehydroshogaol	1.1056	0.8944
6-Dimethylaminopurine	0.9332	1.0668
(6E)-2,6,10-trimethyldodeca-6,11-diene-2,3,10-triol	0.8191	1.1809
6-Fluorotryptophan	0.8958	1.1042
[6]-Gingerol	1.3892	0.6108
6-Hydroxy-5-fluorocytosine	1.3688	0.6312
6-Hydroxynicotinic acid	1.0009	0.9991
6-Methoxy-7,8-methylenedioxycoumarin	0.7842	1.2158
6-Methyluracil	1.1344	0.8656
(6R,9R)-Roseoside	1.4306	0.5694
6-Thiourate	1.1613	0.8387
7,12-Dimethylbenz[a]anthracene	1.3241	0.6759
7,8,3^,4^,5^-Pentamethoxy-6^^,6^^-dimethylpyrano[2^^,3^^:5,6]flavone	1.5305	0.4695
7,8,3^,4^-Tetrahydroxyflavone	1.0852	0.9148
7,8-Dihydroxyflavone	1.7569	0.2431
7-Acetoxy-5,6-dimethoxycoumarin	0.8650	1.1350
7-Acetyllycopsamine	1.1283	0.8717
(+)-7alpha,8alpha-Epoxyblumenol B	0.8598	1.1402
7alpha-Thiomethylspironolactone	1.3630	0.6370
7-Aminocephalosporanic acid	1.4312	0.5688
7beta-Hydroxycatuabine I	1.4500	0.5500
7-Deoxyloganetin	1.0313	0.9687
7-Ethoxy-4-methylcoumarin	0.7540	1.2460
7-Hydroxy-1(3H)-isobenzofuranone	0.9928	1.0072
7-Hydroxy-5,6,8,3^-tetramethoxy-4^,5^-methylenedioxyflavone	0.8294	1.1706
7-Hydroxymitragynine	1.5106	0.4894
7-hydroxyolanzapine	1.8952	0.1048
7-methoxy-4-methylcoumarin	0.7960	1.2040
7-Methoxy-4-methyl-coumarin-8-ol	0.9815	1.0185
7-Methyladenine	1.1204	0.8796
7-Methylcoumarin	0.9346	1.0654
7-Oxostigmasterol	0.9211	1.0789
7Z,10Z-Hexadecadienoic acid	1.0729	0.9271
8-(2-hydroxy-3-methoxy-3-methylbutyl)-7-methoxychromen-2-one	0.7974	1.2026
8-(3,3-Dimethylallyl)spatheliachromene	1.2107	0.7893
8-Amino-3,8-dideoxy-D-manno-octulosonate	1.2281	0.7719
8-Epideoxyloganic acid	1.4168	0.5832
8-Epidiosbulbin E acetate	1.3747	0.6253
[8]-Gingerol	1.1545	0.8455
8H-cyclopenta[a]acenaphthylene	1.0021	0.9979
8-Methoxykynurenate	0.8703	1.1297
8-methyltetraphene-1,5,6,11,12-pentol	1.1655	0.8345
8Z,11Z,14Z,17Z-eicosatetraenoic acid	0.9476	1.0524
9,10-Dihydrophenanthrene	0.9980	1.0020
9,10-Dihydroxyanthracene	0.8022	1.1978
9,10-EOT	1.1908	0.8092
9-(alpha-D-glucosyl)dihydrozeatin	1.3682	0.6318
9-Fluorenone	1.0780	0.9220
9-Geranyl-alpha-terpineol	1.3203	0.6797
9-Hydroxygeranyllinalol	1.1909	0.8091
9-Hydroxyoctadecanoic acid	0.9491	1.0509
9-Methoxycanthin-6-one	0.8562	1.1438
9-Methoxyellipticine	1.4155	0.5845
9-[(methylthio)nonyl]thiohydroximic acid	1.2452	0.7548
9-Octadecen-1-amine	0.7407	1.2593
9-O-Methylneodunol	0.9654	1.0346
9(S)-HOTrE	1.3239	0.6761
9(Z),11(E),13(E)-Octadecatrienoic Acid methyl ester	1.1951	0.8049
(9Z,12E)-15,16-dihydroxyoctadeca-9,12-dienoic acid	1.2880	0.7120
Abacavir	0.9469	1.0531
Acacetin	0.7010	1.2990
Acacetin 7-glucoside	0.7743	1.2257
Acanthovagasteroid A	1.4744	0.5256
Acebutolol	1.3977	0.6023
ACENAPHTHYLENE	1.0002	0.9998
Acetaminophen	1.0579	0.9421
Acetaminophen glucuronide	1.1332	0.8668
Acetylagmatine	1.3007	0.6993
Acetylloboridin	1.2949	0.7051
Acetylsalicylic acid	0.9918	1.0082
Acetyl tributyl citrate	0.5187	1.4813
Achillamide	1.5588	0.4412
Acisoga	0.7072	1.2928
Acivicin	1.0278	0.9722
Acridine	0.9700	1.0300
Ac-Tyr-OEt	0.8749	1.1251
Adalinine	1.3018	0.6982
Adenine	0.7547	1.2453
Adenine monohydrochloride hemihydrate	0.9873	1.0127
Adenosine	1.0755	0.9245
Adenosine-2^-monophosphate	0.9229	1.0771
AdipoRon	1.3944	0.6056
Adrenosterone	1.1749	0.8251
Agecorynin B	0.9342	1.0658
Aggreceride C	0.7892	1.2108
Agomelatine	0.8881	1.1119
Ailanthone	1.2670	0.7330
Ajugaciliatin I	1.5625	0.4375
AKBA	0.8704	1.1296
Ala-Asp-Pro	1.1622	0.8378
Alanylhydroxyproline	1.0629	0.9371
Alanyl-Leucine	0.6158	1.3842
Albiflorin	1.4607	0.5393
albocycline	1.1115	0.8885
Aldoxycarb	0.4421	1.5579
Aleuritic acid	0.8781	1.1219
Alimemazine	1.7873	0.2127
Allantoxanamide	0.9753	1.0247
(all-E)-1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one	1.0500	0.9500
Allocholic acid	1.5215	0.4785
all-trans-4-Oxoretinoic acid	0.9606	1.0394
Aloe-emodin-8-O-beta-D-glucopyranoside	1.4088	0.5912
alpha-(4-Fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazine butanol	0.9845	1.0155
alpha-Arbutin	1.3317	0.6683
alpha-Asarone	1.0297	0.9703
alpha-D(+)Mannose 1-phosphate	1.0124	0.9876
alpha-D-Sedoheptulopyranose 7-phosphate	0.3214	1.6786
alpha-Hydrojuglone-4-glucoside	1.3365	0.6635
alpha-Linolenic acid	1.3587	0.6413
alpha-Linolenoyl Ethanolamide	1.5210	0.4790
alpha-L-Rhamnose monohydrate	0.7234	1.2766
alpha-Phocaecholic acid	1.0516	0.9484
Alstovine	0.0523	1.9477
(+/-)-Altenuic acid II	1.6358	0.3642
Alternarienonic acid	1.0479	0.9521
Altrenogest	0.9833	1.0167
Ambroxide	1.1184	0.8816
Amfenac	1.1638	0.8362
Aminopentol	0.9240	1.0760
Ammelide	1.1207	0.8793
Ammodendrine	0.6725	1.3275
amprolium	0.9752	1.0248
(+/-) Anabasine	0.7754	1.2246
Anacardic Acid	1.4641	0.5359
Ancistroquinone	1.0095	0.9905
Andrachamine	1.0816	0.9184
Andrachcine	1.0130	0.9870
Andrachcinidine	1.0178	0.9822
Andrachcinine	1.5141	0.4859
Anhydrolutein I	0.2846	1.7154
Anhydrovitamin A1	1.0825	0.9175
Anisomycin	0.9982	1.0018
Anisylacetone	0.9544	1.0456
Anthranil	0.8527	1.1473
Anthriscifolcine A	1.7345	0.2655
Antibiotic DOB 41	1.3219	0.6781
Antibiotic WS 5995B	0.8750	1.1250
Antigastrin	1.0696	0.9304
Aplotaxene	0.7324	1.2676
Arachidonyl alcohol	1.2580	0.7420
Arborine	1.8005	0.1995
Arbutin	0.9429	1.0571
Arctinol	0.5381	1.4619
Arg Asp Met	1.1625	0.8375
Arg Ile Ile	0.8940	1.1060
Arginine propyl ester	1.1521	0.8479
Argininosuccinic acid	0.9272	1.0728
Arginylasparagine	0.9839	1.0161
Arginylglycine	0.8929	1.1071
Arg Leu	1.7102	0.2898
Arg Leu Glu	0.9871	1.0129
Arg-OEt	1.2557	0.7443
Arg Phe Ala	1.0159	0.9841
Arg Phe Glu	0.9920	1.0080
Arg Phe Thr	1.1486	0.8514
Arg Pro Tyr	0.9111	1.0889
Arisugacin C	1.7519	0.2481
Arjunetin	1.0938	0.9062
Arnicolide D	0.7589	1.2411
Arphamenin B	1.0337	0.9663
Artemether	1.0675	0.9325
Artemisinin	0.8410	1.1590
Artemisitene	0.8683	1.1317
Arterolane	1.8622	0.1378
asc-DeltaC8	1.2835	0.7165
Asn Gln Gln	1.4179	0.5821
Asn Thr His	1.4149	0.5851
Asparagine methyl ester	1.2272	0.7728
Asp Arg Tyr	0.9783	1.0217
Asp Asn His	0.9848	1.0152
Asperuloside	1.8785	0.1215
Aspidocarpine	1.5019	0.4981
Asp-Trp	1.1576	0.8424
Asulacrine	1.0992	0.9008
Asymmetric dimethylarginine	1.1838	0.8162
Auraptene	1.2185	0.7815
Austradiol acetate	1.3446	0.6554
AVOCADYNE	1.0899	0.9101
Axerophthene	1.2915	0.7085
Axitinib	1.1688	0.8312
Ayapin	1.0152	0.9848
Azetirelin	0.9907	1.0093
Bactobolin	0.7570	1.2430
Baenzigeroside B	0.9399	1.0601
Bakankoside	1.0647	0.9353
Bakkenolide A	0.9958	1.0042
Baldrinal	1.3005	0.6995
Balofloxacin	1.4725	0.5275
Bancroftinone	1.2876	0.7124
Baquiloprim	1.3136	0.6864
Bavachalcone	0.9469	1.0531
Bengamide E	0.9855	1.0145
Benzo(f)quinoline	0.6105	1.3895
Benzofuran ketone	1.0778	0.9222
Benzophenone	1.0005	0.9995
Benzoylagmatine	1.0583	0.9417
Benzoyl cyanide	1.2128	0.7872
Benzoyl L-arginine methyl ester	0.5855	1.4145
benzquinamide	1.9232	0.0768
Benzyl edta	1.1737	0.8263
benzyl styryl sulfone	1.2026	0.7974
beta-Citronellol	1.0699	0.9301
beta-D-Fructose 2-phosphate	1.3492	0.6508
Betaenone E	1.0241	0.9759
beta-fenchocamphorone	0.9448	1.0552
beta-Gentiobiose	0.8990	1.1010
beta-Hydroxy-2^,6^-dimethoxy-3^,4^-methylenedioxydihydrochalcone	0.4431	1.5569
Betaine	1.0829	0.9171
beta-sanshool	0.9859	1.0141
beta-Springene	1.3095	0.6905
Beta-Zearalanol	1.1464	0.8536
Betonicine	1.0116	0.9884
Betulin	1.0282	0.9718
Betulinaldehyde	0.7782	1.2218
Bexarotene	1.4582	0.5418
Bigelovin	0.9605	1.0395
Bindarit	1.0555	0.9445
Biotin	1.6022	0.3978
Biotin hydrazide	1.3592	0.6408
Biotin sulfone	1.3073	0.6927
Biotin sulfoxide	1.2285	0.7715
bis-(4-hydroxybenzyl)sulfide	1.3745	0.6255
bis-(acetyl)diaminopentane	0.9439	1.0561
Bistratamide E	1.3661	0.6339
Bistratamide H	1.4475	0.5525
Bixin	1.0061	0.9939
(-)-Blastmycinolactol	0.9505	1.0495
Bombykol	0.8034	1.1966
Botcineric acid	0.1545	1.8455
Brachystemidine B	1.0441	0.9559
Brachystemidine C	1.2505	0.7495
brasilidine A	1.6604	0.3396
Brefeldin A	0.8275	1.1725
Brianodin D	1.2799	0.7201
Britannin	0.8095	1.1905
Brombyin II	0.9626	1.0374
Broussonetine J	1.9757	0.0243
Broussonetine M1	1.6687	0.3313
Broussonin E	1.5225	0.4775
Bufalin	1.8177	0.1823
Bullatenone	1.2753	0.7247
Bullatine A	1.6807	0.3193
Bussealin E	1.2220	0.7780
Busulfan	0.2136	1.7864
Butenoyl PAF	0.9380	1.0620
Buturon	0.7848	1.2152
Butyl isobutyl phthalate	1.0207	0.9793
butyrylglycine	1.0772	0.9228
C16 Sphinganine	0.1388	1.8612
C16 Sphingosine	0.8550	1.1450
C17-Sphinganine	1.0511	0.9489
Caffeoylferuloylspermidine	1.5031	0.4969
Calceolarioside B	0.6975	1.3025
Callicarpenal	0.9937	1.0063
Caloxanthin sulfate	1.7052	0.2948
Calystegin B2	1.0286	0.9714
(-)-Camphoric acid	1.0094	0.9906
Canagliflozin	0.9067	1.0933
Caohuoside D	1.1082	0.8918
Caperatic acid	1.2137	0.7863
Capsi-amide	0.7987	1.2013
Capsiate	1.1797	0.8203
Carbimazole	0.8806	1.1194
Cardiobutanolide	1.1827	0.8173
Cardiospermin	1.2535	0.7465
carisoprodol	1.7978	0.2022
Carlinoside	1.5634	0.4366
Carnosic Acid	1.0117	0.9883
Carteolol	0.3731	1.6269
Carvone	1.0436	0.9564
Caryophyllene oxide	0.9416	1.0584
Cascaroside D	1.5985	0.4015
Casteloside B	1.3646	0.6354
Caudatin	0.8871	1.1129
Caulibugulone A	0.7991	1.2009
Centaureidin	0.7433	1.2567
Cerbinal	0.5277	1.4723
Cerevisterol	0.9540	1.0460
Cernuine	0.9522	1.0478
Chabrolohydroxybenzoquinone C	1.7572	0.2428
Chaenorrhinoside	1.0576	0.9424
Chaulmoogric Acid	1.3330	0.6670
Chloridazon-desphenyl	0.9504	1.0496
Chloriolide	1.1233	0.8767
Chloroxuron	1.1770	0.8230
Chlorproethazine	1.1093	0.8907
Choline sulfate	0.7278	1.2722
Cimifugin	1.0106	0.9894
Cimiracemoside D	1.4226	0.5774
Cinmethylin	1.1483	0.8517
cis-10-Heptadecenoic acid	0.9347	1.0653
cis-11,14-Eicosadienoic acid	0.8287	1.1713
cis-11-Eicosenoic acid	0.7691	1.2309
cis-13,16-Docosadienoic acid	0.4087	1.5913
cis-5-Hydroxypipecolic acid	1.0501	0.9499
cis-7,10,13,16,19-Docosapentaenoic acid	1.1053	0.8947
cis-Acetylacrylate	1.0170	0.9830
cis-Hexadec-11-en-7,9-diynoic acid	0.8978	1.1022
cis-Stilbene oxide	1.0221	0.9779
Cistanoside F	0.9626	1.0374
Citicoline	0.9986	1.0014
Citraconic acid	1.0219	0.9781
Citrinalin B	1.4251	0.5749
Citrinin	1.2650	0.7350
Civetol	1.0931	0.9069
(-)-Clathrotropine	0.8617	1.1383
Clavatoic acid	1.0208	0.9792
Cleomiscosin A	0.8330	1.1670
Climbazol	0.9811	1.0189
Clotrimazole	1.2661	0.7339
Cnidioside A	1.3955	0.6045
Codlemone	0.9271	1.0729
Codonopsinol	0.7165	1.2835
colistin	1.1142	0.8858
Comazaphilone C	1.4651	0.5349
Comazaphilone F	1.3429	0.6571
Combretastatin A4	1.0772	0.9228
Complanatuside	1.7429	0.2571
Confluentin	1.9544	0.0456
Coniferaldehyde	0.8638	1.1362
Coniferin	0.8862	1.1138
Coniochaeton A	1.1295	0.8705
Corallopyronin B	1.1353	0.8647
Cornigerone	0.9251	1.0749
Coronaridine	1.1728	0.8272
Corrole	1.9181	0.0819
cotinine-glucuronide	0.9930	1.0070
CP-863187	1.0032	0.9968
Creatine ethyl ester	1.2900	0.7100
Crenulatin	0.9281	1.0719
Crenulatoside C	1.2624	0.7376
Crepenynic acid	1.5048	0.4952
Crocetin	0.9154	1.0846
Croomine	1.3819	0.6181
Crotafuran A	1.6404	0.3596
Cryptocyanin	1.2940	0.7060
Cryptotanshinone	1.3323	0.6677
cspyrone B1	0.9729	1.0271
Cudraflavanone B	1.4395	0.5605
Cumene	0.9453	1.0547
Curdione	0.9867	1.0133
CV1808	1.2353	0.7647
Cyclic apt	0.8587	1.1413
Cyclic N-Acetyl-D-mannosamine	1.0178	0.9822
Cyclo(4-hydroxy-R-Pro-S-Leu)	1.1183	0.8817
Cyclocreatine	1.3866	0.6134
Cycloguanil	1.0925	0.9075
Cyclo(his-pro)	1.2460	0.7540
Cyclo-(Leu-Tyr)	0.8353	1.1647
Cyclo(L-Phe-L-Pro)	1.3429	0.6571
Cyclomaltodextrin	0.9417	1.0583
Cycloshermilamine D	0.6663	1.3337
Cynaropicrin	0.8586	1.1414
Cyperotundone	0.9720	1.0280
Cysteinyl-Glutamate	0.9515	1.0485
Cysteinylglycine	0.9064	1.0936
Cysteinyl-Histidine	1.1531	0.8469
Cystine	1.0372	0.9628
Cytidine	0.9314	1.0686
Cytisin	0.8086	1.1914
Cytochalasin Z5	1.0068	0.9932
Cytosporin C	1.0132	0.9868
D-1-[(3-Carboxypropyl)amino]-1-deoxyfructose	1.4893	0.5107
D-5-phenylhydantoin	1.1043	0.8957
DAH-3-Keto-4-en	0.9284	1.0716
D-alpha-Tocopherol acetate	1.1896	0.8104
Darutoside	1.1731	0.8269
D-Citrulline	0.8904	1.1096
Deca-5,8-dienedioylcarnitine	0.9103	1.0897
Decahydro-2-naphthoic acid	1.1713	0.8287
Decarbamoylneosaxitoxin	1.0500	0.9500
Decursin	1.2407	0.7593
Decursinol	0.1211	1.8789
DEHP	1.0864	0.9136
Dehydroabietamide	1.3391	0.6609
Dehydroascorbic acid	1.0350	0.9650
Dehydrocorydaline	1.2287	0.7713
Dehydrodiisoeugenol	0.8205	1.1795
Dehydroevodiamine	1.4030	0.5970
Dehydrooreadone	0.9324	1.0676
Dehydropachyrrhizone	1.1399	0.8601
Dehydrowarfarin	0.9422	1.0578
Dehypoxanthine futalosine	0.9401	1.0599
Delta(1,7)-dafachronic acid	1.0575	0.9425
delta-Decalactone	0.9282	1.0718
delta-Guanidinovaleric acid	1.1011	0.8989
Demethoxycurcumin	1.5526	0.4474
Demethoxyencecalin	0.9411	1.0589
Dendrobine	0.8326	1.1674
Denticulatin B	1.2093	0.7907
Deoxycorticosterone acetate	1.9325	0.0675
Dercitamide	1.1397	0.8603
D-Erythro-dihydrosphingosine	0.5048	1.4952
D-erythro-Sphingosine C-20	0.7082	1.2918
Desmethyldiaportinol	0.9982	1.0018
Desmodin	1.4797	0.5203
Desoxyrhaponticin	1.2675	0.7325
D-Fructofuranose 1,2^:2,3^-dianhydride	0.9702	1.0298
D-Fructose	0.7883	1.2117
DG(16:1(9Z)/16:1(9Z)/0:0)	0.5641	1.4359
DG(18:2(9Z,12Z)/18:2(9Z,12Z)/0:0)	0.9100	1.0900
DG(5-iso PGF2VI/16:0/0:0)	0.4769	1.5231
DG(a-13:0/i-17:0/0:0)	1.0595	0.9405
DHP-mOx-NS-DHB	1.1732	0.8268
Diacetoxy-6-gingerdiol	1.0995	0.9005
Diacylglycerol(16:1/18:2)	0.7647	1.2353
Dianthoside	1.0192	0.9808
Diaportinol	0.8580	1.1420
Diaziquone	0.8872	1.1128
Dibutyl adipate	0.9957	1.0043
Dibutyl maleate	0.1768	1.8232
Dibutyl sulfosuccinate	1.0337	0.9663
Dictamnoside L	1.3149	0.6851
Dicumarol	1.3116	0.6884
Didmolamide B	1.2929	0.7071
Diethylhexyl adipate	0.9516	1.0484
Diethylpropion	0.7306	1.2694
Diffractaic acid	1.1830	0.8170
Dihydralazine	0.8856	1.1144
Dihydro-2,4-dimethyl-6-(2-methylpropyl)-4H-1,3,5-dithiazine	1.3325	0.6675
(+/-)-Dihydroactinidiolide	1.0669	0.9331
Dihydroartemisinin	1.0770	0.9230
Dihydronaringenin-O-sulphate	0.4585	1.5415
Dihydronortoxiferine I	1.0910	0.9090
Dihydrosinapyl alcohol	0.8078	1.1922
Dihydrotanshinone I	1.3077	0.6923
Diisopropyl sulfide	1.0652	0.9348
Dimethyl Citric acid	1.1108	0.8892
Dimethylfraxetin	0.9232	1.0768
Dimethylglycine	1.3189	0.6811
Dimethyl pimelimidate	0.4613	1.5387
Dinex	1.3182	0.6818
Dinocton 6	0.8782	1.1218
Dioctyl Phthalate	0.9530	1.0470
Diosgenin	1.2399	0.7601
Diosmetin	0.8321	1.1679
Dipeptide 2	1.3585	0.6415
Diprotin A	1.1692	0.8308
Diptocarpidine	0.8585	1.1415
Discadenine	0.7058	1.2942
D,L-Buthionine	1.1962	0.8038
DL-Leucyl-DL-phenylalanine	1.3503	0.6497
D-Mannoheptulose	0.9632	1.0368
D-Mannosamine	1.1127	0.8873
DMPO	0.9431	1.0569
DODECA-2(E),4(E)-DIENOIC ACID ISOBUTYLAMIDE	0.8314	1.1686
Dodecanamide	0.9943	1.0057
Dodecanedioic acid	0.9974	1.0026
Dodecanoic acid	0.8372	1.1628
Dopexamine	1.9535	0.0465
D-(-)-Quinic acid	0.8884	1.1116
Drosopterin	1.0671	0.9329
D-(-)-salicin	1.2970	0.7030
Dulciol D	1.3772	0.6228
Dysinosin D	1.3138	0.6862
(E)-2-(Methoxycarbonylmethyl)butenedioate	1.1351	0.8649
(E)-5-O-Cinnamoylquinic acid	1.2005	0.7995
Ecgonine methyl ester	1.1778	0.8222
(E,E)-2,9,9-Trimethyl-6-methylene-2,7-cycloundecadien-1-one	1.0386	0.9614
(E,E)-5-(2,6-Dimethyl-1,5,7-octatrienyl)-3-furancarboxylic acid	1.1493	0.8507
Eicosa-5,8,11,14-tetraenoic acid 1,3-dihydroxypropan-2-yl ester	1.1536	0.8464
Eicosanedioic acid	1.3361	0.6639
Eicosapentaenoic acid	1.0661	0.9339
Eicosapentaenoic acid methyl ester	0.8123	1.1877
Eletriptan	1.3972	0.6028
Eleutheroside C	0.9395	1.0605
Ellipticine	0.9496	1.0504
(E)-Methyl-4-hydroxycinnamate	0.9017	1.0983
Enalaprilat	1.8027	0.1973
Enflurane	0.9861	1.0139
Enzastaurin	1.1884	0.8116
(E)-Oct-2-enoic acid	0.6513	1.3487
Epiandrosterone	1.0484	0.9516
(+)-Epiexcelsin	1.2007	0.7993
Epigallocatechin 5,3^,5^-trimethyl ether 3-O-gallate	1.1830	0.8170
EPIISOPILOTURINE	1.0024	0.9976
Epilumaflavanone A	1.1358	0.8642
(+)-Epilupinine N-oxide acetate ester	1.2073	0.7927
Episyringaresinol 4^-O-beta-D-glncopyranoside	1.4032	0.5968
Epoxymicheliolide	1.1078	0.8922
EQUILIN	1.4609	0.5391
Erdafitinib	1.1497	0.8503
Eremopetasitenin B2	0.9798	1.0202
Ergolide	0.8751	1.1249
Ergosta-4,6,8(14),22-tetraen-3-one	1.3003	0.6997
Ergosterol	0.2926	1.7074
Ergothioneine	0.8410	1.1590
Eriodictyol-7-O-glucoside	0.6255	1.3745
Erlangerin A	1.3758	0.6242
Erucic acid	0.6160	1.3840
Erythrophloin D	1.8609	0.1391
Esculetin	0.8691	1.1309
Esculin	1.1585	0.8415
Esprocarb	0.7689	1.2311
Estradiol-17alpha	1.2849	0.7151
Estrane	0.9419	1.0581
(Ethoxymethyl)benzene	0.9578	1.0422
Ethyl 3-(methylthio)propanoate	1.3415	0.6585
ethyl-4-hydroxymethyl- 3(2H)-Furanone	1.0009	0.9991
Ethyl 5-(methylthio)valerate	1.0612	0.9388
Ethyl cinnamate	0.9069	1.0931
Ethyl (ethylthio)methyl disulfide	0.9480	1.0520
Ethyl gallate 4-glucuronide	1.3727	0.6273
Ethyl isopropyl disulfide	1.4638	0.5362
Ethyl linoleate	1.1199	0.8801
Ethylmalonic acid	0.9964	1.0036
Ethyl nonanoate	0.8367	1.1633
Ethyl-p-methoxyhydrocinnamate	0.9257	1.0743
Ethyl propyl disulfide	1.6190	0.3810
Etidocaine	0.8927	1.1073
Etimizol	1.3428	0.6572
Euoniside	1.6224	0.3776
Eupalinolide O	1.1627	0.8373
Euparin	0.8652	1.1348
eupomatenoid 5	1.0213	0.9787
Exemestane	0.8693	1.1307
(E/Z)-Ginkgolic acid C17:2	1.7192	0.2808
(E/Z)-Polydatin	0.9035	1.0965
Fenethylline	1.0016	0.9984
Fenitropan	1.4133	0.5867
Fenoksan	1.0560	0.9440
FENSPIRIDE	0.8259	1.1741
Fentin	0.8988	1.1012
feruloylagmatine	1.0802	0.9198
Feruloylputrescine	0.9160	1.0840
Ferutinin	1.2277	0.7723
Fevipiprant	1.1765	0.8235
Fexaramine	1.0546	0.9454
Fiscalin B_130006	1.1410	0.8590
Flabelline	0.7836	1.2164
Flavine mononucleotide (FMN)	1.2128	0.7872
Flavokawain A	0.7674	1.2326
Fluasterone	0.9611	1.0389
Flucytosine	1.1309	0.8691
Fluoroquinolone carboxylic	1.0841	0.9159
fluoxymesterone	1.8028	0.1972
Flustramine F	1.0736	0.9264
Flustraminol A	1.0665	0.9335
Flutamide	1.3868	0.6132
Fluvastatin	1.4359	0.5641
Formylfusarochromanone	1.1080	0.8920
Forsythoside E	1.1310	0.8690
Fortuneanoside K	1.3310	0.6690
FR140423	1.5507	0.4493
Fraxidin	0.8040	1.1960
Fraxinellone	1.2203	0.7797
Fraxinol	1.0387	0.9613
Fructosyl-lysine	1.6381	0.3619
Fulvine	0.6699	1.3301
Fumagillol	0.9185	1.0815
Fumarycarnitine	1.2106	0.7894
Fumifungin	1.1445	0.8555
Galacturonic acid	0.9342	1.0658
Gama-glutamylalanine	1.1558	0.8442
Gamma-Glu-Leu	1.3311	0.6689
gamma-Glutamyl-2-aminobutyric acid	1.0089	0.9911
gamma-Glutamylaspartic acid	1.7036	0.2964
gamma-Glutamylcysteinylserine	0.7363	1.2637
gamma-glutamylglutamate	1.3893	0.6107
gamma-Glutamyl-methionine	1.4734	0.5266
gamma-Glutamylphenylalanine	1.2770	0.7230
gamma-Glutamyltyrosine	1.1195	0.8805
gamma-L-Glutamyl-L-pipecolic acid	1.0601	0.9399
gamma-Linolenic acid	1.0559	0.9441
Ganoderic acid G	1.4050	0.5950
Garcimangosone D	1.4018	0.5982
Garcinielliptone FA	0.8024	1.1976
Garcinone C	1.0428	0.9572
Gaultherin	1.1534	0.8466
GEIR-1	1.2271	0.7729
Gemixanthone A	1.4023	0.5977
Genipin	0.9387	1.0613
Genipin 1-beta-D-gentiobioside	1.2012	0.7988
Geniposide	1.1942	0.8058
Geranylgeraniol	0.8483	1.1517
Gigantol	0.9082	1.0918
Gingerenone A	0.7107	1.2893
Ginkgolide C	1.6702	0.3298
Gitogenin	0.9088	1.0912
Gliocladic acid_130132	0.8838	1.1162
Gliocladinin A	1.5570	0.4430
Gliovictin	0.9799	1.0201
globosumone C	0.9141	1.0859
Glucosamine 6-sulfate	1.0636	0.9364
Glucovanillin	1.1695	0.8305
Glu-Pro	1.2113	0.7887
Glutamine	1.4296	0.5704
Glutaminyltryptophan	1.5218	0.4782
Glutamylglycine	1.2607	0.7393
Glutaric acid	0.9913	1.0087
Glutathione	0.8269	1.1731
Gly Arg Asp	1.0796	0.9204
Glycerylmonooleate	1.8268	0.1732
Glycidyl stearate	0.6400	1.3600
Glycinamide, glycyl-L-prolyl-	0.9385	1.0615
Glycosmisic Acid	1.2209	0.7791
Glycylglycine	0.8730	1.1270
Glycyl-Histidine	0.9130	1.0870
Glycylleucine	0.8483	1.1517
Glycylproline	1.1372	0.8628
Glycylprolylarginine	1.2024	0.7976
Glycyl-Tyrosine	1.2043	0.7957
Glycyrrhisoflavone	0.6430	1.3570
Gly-L-Phe	1.3586	0.6414
Gly Phe Val	0.8972	1.1028
Goniothalesdiol A	1.0210	0.9790
Goshonoside F2	1.0538	0.9462
Grevilloside B	1.1927	0.8073
Griffithine	1.0732	0.9268
Guaijaverin	1.9003	0.0997
Guanidinobutyric acid methyl ester	1.0908	0.9092
Guanidoacetic acid	1.3498	0.6502
Guanine	1.2236	0.7764
Guvacine	0.9537	1.0463
Gymnasterone C	1.0728	0.9272
Gymnasterone D	1.1627	0.8373
Gymnospermin	0.8361	1.1639
H-ALA-ALA-PRO-OH	1.0905	0.9095
Halaminol C	0.9524	1.0476
Hapalindole G	1.4106	0.5894
Haplanthin	0.9070	1.0930
Haplomyrtin	1.1437	0.8563
H-Arg-Lys-OH	0.9881	1.0119
Harmane	1.4084	0.5916
Harmol	1.1692	0.8308
Harzianopyridone	1.0321	0.9679
Hecogenin acetate	1.3104	0.6896
Hedaol B	1.5393	0.4607
Heitziamide B	1.7738	0.2262
Helicin	0.8199	1.1801
Heptadecatrienal	1.3807	0.6193
Heptaethylene glycol	0.9790	1.0210
Herbimycin B	1.3112	0.6888
Hesperidin	1.5390	0.4610
Hexadecanedioic acid	0.9868	1.0132
Hexadecanoylpyrrolidine	0.7728	1.2272
Hexadecasphinganine	0.8630	1.1370
Hexaethylene glycol	0.6439	1.3561
HIERACIN	1.8697	0.1303
H-Ile-Gln-OH	1.5124	0.4876
Himbacine	1.5929	0.4071
His Ala Gln	1.0838	0.9162
His Asn Gly	1.1434	0.8566
His Asn Thr	1.2288	0.7712
His Gln Gly	1.0877	0.9123
His Glu Asn	1.3237	0.6763
His His	1.0036	0.9964
His Ile Asn	0.9366	1.0634
His Lys Leu	0.7772	1.2228
His Phe	1.9087	0.0913
Hispolon	0.8734	1.1266
His Pro Asn	1.0145	0.9855
His Thr Gln	1.0019	0.9981
His Thr Lys	1.1753	0.8247
Histidylleucine	1.4290	0.5710
His-Trp	1.2012	0.7988
His Tyr Arg	1.6644	0.3356
His Val Asn	0.8795	1.1205
H-Leu-Asn-OH	1.3117	0.6883
Holadysenterine	1.8511	0.1489
Homarine	0.8226	1.1774
Homaxisterol B2	0.8931	1.1069
homoarginine	1.1764	0.8236
Homostachydrine	1.0962	0.9038
H-PRO-ALA-OH	1.0729	0.9271
H-Thr-Leu-OH	1.4473	0.5527
H-TYR-ILE-OH	1.0926	0.9074
Humulene-alpha	0.9238	1.0762
Huperzine G	0.7941	1.2059
H-Val-Tyr-OH	1.5088	0.4912
Hyacinthacine A2	1.0962	0.9038
Hyacinthacine C1	1.1799	0.8201
Hydrocinchonine	1.9615	0.0385
hydroquinidine	1.2434	0.7566
Hydroxychloroquine	1.0037	0.9963
(-)-Hydroxydihydrobovolide	0.8245	1.1755
Hydroxyectoine	0.5293	1.4707
Hydroxynalidixic acid	1.3214	0.6786
Hydroxyprolyl-Glutamate	1.4880	0.5120
Hydroxyprolyl-Isoleucine	1.5791	0.4209
Hygric acid	1.1424	0.8576
Hygromycin A	1.5665	0.4335
Hymenoflorin	1.0414	0.9586
Hypochoeroside E	0.9775	1.0225
Hypusine	1.4242	0.5758
icosasphinganine	0.7359	1.2641
Ile Ile	1.4832	0.5168
Ile Thr Ile	0.9517	1.0483
Imazamethabenz-methyl	1.0286	0.9714
Imidazol-1-yl-acetic acid	1.2868	0.7132
Imigliptin	0.9496	1.0504
Incadronic acid	1.0589	0.9411
Incensole	1.1956	0.8044
Indane	1.0450	0.9550
Indicanine C	1.3816	0.6184
Indole	1.5312	0.4688
Indole-3-acetaldoxime	1.1969	0.8031
Indole-3-carbinol	1.0515	0.9485
Indole-3-carboxylic acid	1.2438	0.7562
Indoleacrylic acid	1.2480	0.7520
Indolelactic acid	1.2359	0.7641
Indospicine	1.0518	0.9482
Inolitazone	1.1418	0.8582
Inosine-5^-carboxylate	0.8383	1.1617
Ipriflavone	1.3379	0.6621
Irbesartan	1.0215	0.9785
Irisoid D	1.1283	0.8717
Irisoquin	0.9246	1.0754
(+)-Isoaminobisabolenol a	0.9110	1.0890
Isoamyl laurate	0.9182	1.0818
Isobiflorin	1.1293	0.8707
Isoboonein	0.8257	1.1743
Isocitrate	1.1680	0.8320
Isocurcumenol	0.9324	1.0676
Isocycloheximide	1.3269	0.6731
Isoelemicin	1.0472	0.9528
ISOEUGENITOL	0.8260	1.1740
Isoeugenol acetate	0.8793	1.1207
Isofebrifugine	1.3203	0.6797
Isoferulaldehyde	1.2068	0.7932
Isoleucylglutamate	1.6472	0.3528
Isomucronulatol	1.0956	0.9044
Isopentenyl pyrophosphate	0.8961	1.1039
Isopropyl ferulate	0.9798	1.0202
Isoputreanine	0.4806	1.5194
Isorhamnetin	1.1094	0.8906
isorhamnetin 3-rutinoside-7-glucoside	1.2815	0.7185
Isosakuranetin	1.0898	0.9102
Isosakuranin	0.5887	1.4113
Isosaponarin	1.4024	0.5976
Isoscoparin 4^-O-glucoside	1.7343	0.2657
Isosilychristin	1.4130	0.5870
Isotrinervidiol	1.0776	0.9224
(+)-Ixerin H	1.2345	0.7655
Izumiphenazine A	1.1620	0.8380
JACAGLABROSIDE B	1.1311	0.8689
Jaceosidin	0.6394	1.3606
Jasmone	0.9487	1.0513
Jayantinin	1.3387	0.6613
Juglone	0.8655	1.1345
Juglone glucoside	1.4743	0.5257
julocrotine	1.5418	0.4582
Juncutol	1.9393	0.0607
Justicidin E	0.8904	1.1096
Justicidin G	1.3730	0.6270
Kadsulignan L	1.0286	0.9714
Kadsuphilol G	1.5704	0.4296
Kadsuralignan B	1.2865	0.7135
Kainic acid	1.1518	0.8482
Kankanoside C	1.0248	0.9752
Kaurane	0.7621	1.2379
Kermadecin E	1.8929	0.1071
Kermadecin H	0.9256	1.0744
Ketotifen	0.9796	1.0204
Keyakinin B	1.9362	0.0638
Kifunensine	1.0523	0.9477
Kinabalurine G	0.8701	1.1299
Kirenol	1.1113	0.8887
Koaburside	1.0305	0.9695
Kojic acid	0.9650	1.0350
Kopsilongine	1.1997	0.8003
Kopsiloscine I	0.0297	1.9703
Kynurenic acid	0.9475	1.0525
L-2-Aminoethyl seryl phosphate	1.3257	0.6743
Lagochilin	0.7363	1.2637
L-Alanyl-L-proline	1.2819	0.7181
L-Allothreonine	1.0488	0.9512
Lanyuamide III	0.9709	1.0291
L-(+)-Arabinose	0.7991	1.2009
Larreagenin A	0.9433	1.0567
Lauramine oxide	0.8491	1.1509
Lawsone	0.9001	1.0999
L-Canavanine	1.2753	0.7247
L-Carnitine	0.8645	1.1355
L-Citramalic acid	1.6198	0.3802
L-Cysteinesulfinic acid	0.8148	1.1852
Lemborexant	1.2171	0.7829
Lemnabourside	1.4688	0.5312
Lemnaloside D	0.9537	1.0463
Lepadiformine B	1.0065	0.9935
Lepidimoide	0.7798	1.2202
Leucine methyl ester	1.2949	0.7051
Leucoside	1.4195	0.5805
Leucyl-4-hydroxyproline	0.9829	1.0171
Leucyl-Alanine	1.4250	0.5750
Leuhistin	1.5734	0.4266
Leupeptin	1.1827	0.8173
Leupeptin analogue LVR	1.6665	0.3335
Leu-Val-Gly	1.5359	0.4641
L-Furosine	1.1183	0.8817
L-Glutamic acid 5-benzyl ester	0.9628	1.0372
L-Histidine trimethylbetaine	0.7626	1.2374
Licochalcone B	1.8986	0.1014
Licoflavone B	1.0492	0.9508
Licoisoflavone B	0.9250	1.0750
Liensinine	1.1645	0.8355
Linalyl acetate	0.7963	1.2037
Linamarin	1.4474	0.5526
Linarin	1.6054	0.3946
Linderalactone	0.0810	1.9190
Linoleamide MEA	1.3672	0.6328
Linoleic acid amide	0.9290	1.0710
Lipoyllysine	0.9924	1.0076
L-isoleucyl-L-proline	1.2393	0.7607
L-Kynurenine	1.2115	0.7885
L-Methionine	1.4106	0.5894
L-N-(1H-Indol-3-ylacetyl)aspartic acid	0.8033	1.1967
L-Norleucine	1.1901	0.8099
Lobeglitazone	1.1103	0.8897
Lobetyolin	0.9297	1.0703
Loganic acid	1.5241	0.4759
Loganin	1.2627	0.7373
Loliolide	0.8209	1.1791
Longiflorone	1.1031	0.8969
L-Ornithine	1.0714	0.9286
Losmapimod	1.0338	0.9662
Lotamilast	1.0964	0.9036
Lotaustralin	1.0285	0.9715
Louisfieserone B	1.1099	0.8901
Lovastatin	1.5039	0.4961
L-Phenylalanine	1.1108	0.8892
L-phenylalanyl-L-proline	1.2077	0.7923
L-Pipecolic acid	1.0318	0.9682
L-Proline, 1-(1-L-leucyl-L-prolyl)-	1.2870	0.7130
L-saccharopine	0.8166	1.1834
L-SelenoMethionine	1.4297	0.5703
L-Theanine	0.5376	1.4624
Lucidamine A	1.2710	0.7290
Lupenone	1.0850	0.9150
Luseogliflozin	1.1692	0.8308
Luteolin 5-O-glucoside	1.7648	0.2352
Lycocernuine N-oxide	1.0099	0.9901
Lycoposerramine A	0.9800	1.0200
Lys His Gly	0.9188	1.0812
Lys Leu	1.7083	0.2917
LysoPA(20:2(11Z,14Z)/0:0)	1.2283	0.7717
Lyso-PAF C-16	1.0388	0.9612
LysoPA(i-20:0/0:0)	0.9184	1.0816
LysoPC(14:0/0:0)	1.0074	0.9926
LysoPC(15:0/0:0)	1.1039	0.8961
LysoPC(16:1(9Z)/0:0)	1.2336	0.7664
LysoPC(18:1(9Z)/0:0)	1.1280	0.8720
LysoPC(18:2(9Z,12Z)/0:0)	1.1579	0.8421
LysoPC(18:3(6Z,9Z,12Z)/0:0)	1.1450	0.8550
LysoPC(20:2)	1.1522	0.8478
LysoPC(20:4(5Z,8Z,11Z,14Z)/0:0)	1.0224	0.9776
LysoPC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	1.1062	0.8938
LysoPC(P-16:0/0:0)	0.2909	1.7091
LysoPE(0:0/16:0)	1.1521	0.8479
LysoPE(0:0/18:3(9Z,12Z,15Z))	1.1629	0.8371
LysoPE(0:0/20:2(11Z,14Z))	0.9638	1.0362
LysoPE(18:2w6/0:0)	1.1432	0.8568
Lysyltryptophan	1.5766	0.4234
Maggiemycin	1.2806	0.7194
Magnolioside	0.5256	1.4744
Magnoshinin	1.0540	0.9460
Malabaricone C	0.8283	1.1717
Maltotetraose	1.0021	0.9979
Maltotriose	1.1970	0.8030
Malvone A	1.3299	0.6701
Manglieside B	1.4627	0.5373
Mansorin B	1.1225	0.8775
Maoecrystal I	0.9131	1.0869
Maohuoside A	1.6122	0.3878
Matairesinol	1.3929	0.6071
Maxima isoflavone G	1.4831	0.5169
m-Coumaric acid	1.0325	0.9675
Mearsine	0.8510	1.1490
MEDIORESINOL	1.4962	0.5038
Meisoindigo	0.6829	1.3171
Melamine	0.9364	1.0636
Melatonine	0.2095	1.7905
Melezitose	1.1646	0.8354
Melibiose	1.1133	0.8867
Melophlin D	0.9731	1.0269
Melperon	0.7712	1.2288
Melphalan	1.5230	0.4770
Memantine	1.3659	0.6341
Menthyl acetate	1.0635	0.9365
meso-Dihydroguaiaretic acid	1.2269	0.7731
Mespirenone	1.2326	0.7674
Metachromin U	1.1250	0.8750
Methamphetamine	0.9621	1.0379
Methiocarb-sulfoxide	1.1769	0.8231
Methionyl-Histidine	1.3447	0.6553
Methoxypolysignine	0.7679	1.2321
methyl 3-(3,4-dihydroxy-5-phenyloxolan-2-yl)-3-hydroxypropanoate	0.9567	1.0433
methyl 3,5-di-O-caffeoyl quinate	1.2954	0.7046
Methyl 5-hydroxy-4-oxopentanoate	0.8213	1.1787
Methyl cholate	0.9976	1.0024
Methyl deacetylasperulosidate	1.1338	0.8662
Methyl dihydrojasmonate	0.9915	1.0085
Methyldopa	1.3196	0.6804
Methyl Eugenol	0.8804	1.1196
Methylglutaric acid	0.8145	1.1855
Methyl heptadecanoate	0.5787	1.4213
Methyl linoleate	1.1157	0.8843
Methylophiopogonanone B	1.1308	0.8692
Methylophiopogonone A	0.5242	1.4758
Methyl palmitate	0.9993	1.0007
Methyl palmitoleate	1.0114	0.9886
Methyl pentyl disulfide	1.4393	0.5607
Methyl phenyl sulfide	1.1059	0.8941
Methyl p-tert-butylphenylacetate	1.0460	0.9540
MF-EA 705alpha	0.9321	1.0679
MG(0:0/10:0/0:0)	0.9258	1.0742
MG(0:0/14:1(9Z)/0:0)	1.0946	0.9054
MG(0:0/15:0/0:0)	1.3094	0.6906
MG(0:0/18:0/0:0)	0.7089	1.2911
MG(0:0/18:1(9Z)/0:0)	1.5546	0.4454
MG(0:0/18:3(6Z,9Z,12Z)/0:0)	1.7109	0.2891
MG(0:0/19:0/0:0)	0.8592	1.1408
MG(0:0/20:1(11Z)/0:0)	1.2588	0.7412
MG(0:0/20:2(11Z,14Z)/0:0)	1.7511	0.2489
MG(0:0/20:3(5Z,8Z,11Z)/0:0)	1.5152	0.4848
MG(0:0/22:4(7Z,10Z,13Z,16Z)/0:0)	1.0633	0.9367
MG(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0)	1.1237	0.8763
MG(0:0/i-13:0/0:0)	1.0418	0.9582
MG(0:0/i-15:0/0:0)	1.0201	0.9799
MG(0:0/i-16:0/0:0)	1.2194	0.7806
MG(0:0/i-17:0/0:0)	1.2154	0.7846
MG(18:1(11Z)/0:0/0:0)	1.6982	0.3018
MG(i-18:0/0:0/0:0)	0.7433	1.2567
Microhelenin E	1.7733	0.2267
Milameline	0.5462	1.4538
MITOMYCIN C	1.1677	0.8323
Mompain	0.8570	1.1430
Monamidocin	1.4144	0.5856
Monobutyl phthalate	0.9794	1.0206
Monoolein	1.5628	0.4372
Montanol	1.7068	0.2932
Moracin C	1.8070	0.1930
Moracin M	0.4727	1.5273
Moracin P	1.4541	0.5459
MTHPA	0.9650	1.0350
Mulberroside A	1.5001	0.4999
Mulberroside F	1.4688	0.5312
Musacin D	0.9130	1.0870
Muscarine	1.0842	0.9158
Musk ambrette	1.0090	0.9910
Mussaenoside	1.0667	0.9333
Mycaleoxime	1.9119	0.0881
Myristamine Oxide	0.6826	1.3174
Myxopyronin A	0.9065	1.0935
Myxopyronin B	1.0066	0.9934
N1-(2-Hydroxyethyl)flurazepam	1.0422	0.9578
N1-Acetylspermidine	1.1131	0.8869
N-(1-Deoxy-1-fructosyl)histidine	1.9060	0.0940
N-(1-Deoxy-1-fructosyl)leucine	1.7505	0.2495
N-(1-Deoxy-1-fructosyl)serine	1.3792	0.6208
N-(1-Deoxy-1-fructosyl)valine	1.5487	0.4513
N1-methyladenosine	1.3726	0.6274
N1,N10-Diferuloylspermidine	1.7086	0.2914
N,2,3-Trimethyl-2-(1-methylethyl)butanamide	1.1078	0.8922
N2-Acetyl-L-aminoadipate semialdehyde	1.1549	0.8451
N2-Fructopyranosylarginine	1.5780	0.4220
N-(2-Furoyl)glycine	1.2495	0.7505
N-(2-Hydroxyethyl)nicotinamide	0.8539	1.1461
N(2),N(2),N(4),N(6)-Tetramethylmelamine	0.7086	1.2914
N-(2-phenylethyl)-Indomethacin amide	0.9466	1.0534
N2-Succinyl-L-arginine	1.5112	0.4888
N-[3-(Dimethylamino)propyl]dodecanamide	0.6583	1.3417
N-(3-Oxooctanoyl)-DL-homoserine lactone	1.8923	0.1077
N-(3-Oxotetradecanoyl)-DL-homoserine lactone	1.2296	0.7704
N4-Acetylsulfadimethoxine	1.0535	0.9465
N-(4-Aminobenzoyl)-L-glutamic acid	0.9129	1.0871
N(5)-[1(S)-1-carboxyethyl]-L-ornithine	1.0646	0.9354
N5-Methyl-L-glutamine	1.2331	0.7669
N(6)-glycyl-L-lysine	1.2683	0.7317
N6-Methyl-lysine	0.9239	1.0761
N6,N6-Dimethyladenosine	1.2550	0.7450
N(6),O(2)-Dimethyladenosine	0.9481	1.0519
N-(9-oxodecyl)acetamide	1.0608	0.9392
N-Acetylalliin	1.4608	0.5392
N-Acetylaspidospermidine	1.1756	0.8244
N-Acetyl-D-mannosaminolactone	1.2798	0.7202
N-Acetylgalactosamine 4-sulphate	0.9558	1.0442
N-Acetyl-leucyl-leucine	1.8021	0.1979
N-Acetyl-L-glutamate 5-semialdehyde	1.1392	0.8608
N-Acetyl-L-tyrosine	0.7625	1.2375
N-Acetylmuramate	1.2862	0.7138
N-ACETYLNEURAMINATE	1.4355	0.5645
N-Acetylornithine	1.4393	0.5607
N-Acetylproline	0.9954	1.0046
N-Acetylsphinganine	0.6747	1.3253
N-Alpha-acetyllysine	1.4697	0.5303
Naphthgeranin E	1.0922	0.9078
Nardosinone	0.7918	1.2082
N-Benzoyl-(2R,3S)-3-phenylisoserine	0.9635	1.0365
N-butylbenzenesulphonamide	0.9503	1.0497
N-Caffeoyl O-methyltyramine	1.2065	0.7935
N-Carbamylglutamate	0.8961	1.1039
N-Cyclohexanecarbonyltetradecylamine	0.6413	1.3587
N-decanoyl-L-Homoserine lactone	1.1599	0.8401
N-Demethylricinine	1.1347	0.8653
N-Desmethyl Sildenafil	1.0181	0.9819
N-Dimethyl-2-aminoethylphosphonate	1.1533	0.8467
Necatorine	0.7851	1.2149
Neoamphimedine	1.1315	0.8685
Neoanhydropodophyllol	0.7390	1.2610
Neocryptotanshinone	0.9283	1.0717
Neoenactin NL2	1.9695	0.0305
Neoglycyrol	1.3283	0.6717
Neoisoliquiritin	0.8238	1.1762
Neosolaniol	1.1556	0.8444
(-)-Nepetaside	1.0783	0.9217
Nepodin	1.1021	0.8979
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE	1.2484	0.7516
N-Ethyl-N-Methylcathinone	0.7542	1.2458
Netilmicin	1.1136	0.8864
NeuNGc	0.9954	1.0046
Neurodazine	0.9538	1.0462
N-formylanthranilic acid	1.0198	0.9802
N-Formylcytisine	0.6851	1.3149
N-Fructosyl isoleucine	1.6566	0.3434
N-hexadecanoyl-L-Homoserine lactone	1.0837	0.9163
Nicotianamine	0.8975	1.1025
Nicotinamide	1.2913	0.7087
Nicotine glucuronide	1.3278	0.6722
Nicotinic Acid	1.0328	0.9672
Nicotinic acid riboside	1.0936	0.9064
Niga-ichigoside F1	1.9218	0.0782
Nigrolineabiphenyl A	1.3929	0.6071
Ningpeisine	1.1701	0.8299
N-Isobutyl-(2E,4E)-octadecadienamide	0.6659	1.3341
N-Lauroyl Asparagine	1.0934	0.9066
N-lauroylethanolamine	1.0548	0.9452
N-Linoleoyl Histidine	1.4390	0.5610
N-Methyl-2-oxoglutaramate	1.3143	0.6857
N-methylanthraniloyl-beta-D-glucose	1.3335	0.6665
N-Methylcytisine	0.8343	1.1657
N-Methyldioctylamine	0.3224	1.6776
N-Methylethanolamine phosphate	1.1196	0.8804
N-Methylflindersine	0.9531	1.0469
N-Methyl-L-phenylalanine	0.7902	1.2098
N,N^-bis[(S)-1-methoxycarbonylethyl]fumaric diamide	1.6299	0.3701
N,N^-Dicyclohexylurea	0.9957	1.0043
N,N-Dihydroxy-L-tryptophan	1.4049	0.5951
N,N-Dimethylaniline	0.9919	1.0081
N,N-Dimethyldodecylamine	1.2478	0.7522
N,N-Dimethyl-lysine	1.3563	0.6437
N^-nitrosonornicotine	0.4462	1.5538
N-Nitrosopiperidine	1.0645	0.9355
Nonaethylene glycol	1.0538	0.9462
Nootkatone	1.0217	0.9783
Nopalinic acid	1.1811	0.8189
Noradrenochrome o-semiquinone	1.1240	0.8760
Norclozapine	1.5549	0.4451
Nordercitin	1.1982	0.8018
Nordihydroguaiaretic acid	0.2076	1.7924
Norfuraneol	1.0143	0.9857
Norharman	1.0577	0.9423
Norselic acid C	1.1062	0.8938
Northalifoline	1.4172	0.5828
Nortracheloside	1.3013	0.6987
Nortropine	0.8238	1.1762
Norvaline	1.1110	0.8890
Norvaline betaine	1.2317	0.7683
N-Palmitoyl Arginine	0.9438	1.0562
N-Palmitoyl Lysine	1.5883	0.4117
n-Pentadecylamine	0.8343	1.1657
N-Stearoyl Asparagine	1.9719	0.0281
N-Stearoyl Glutamine	1.2350	0.7650
N-Stearoyl Lysine	1.7354	0.2646
N-trans-p-coumaroyloctopamine	1.0332	0.9668
Nummularine F	1.1775	0.8225
N-Vanillyldecanamide	1.2918	0.7082
Nystose	1.0260	0.9740
O-[(5Z)-dodecenoyl]carnitine	0.8954	1.1046
O-Acetyl-L-serine	0.8843	1.1157
O-Acetylsolasodine	0.7063	1.2937
O-acryloyl-L-carnitine	1.3656	0.6344
Obscuraminol A	0.9999	1.0001
Obscurolide A1	1.5761	0.4239
Octadeca-9-ene-1,18-dioic-acid	1.4459	0.5541
Octadecanoic acid	0.8228	1.1772
Octadecylamine	0.2971	1.7029
Octaethylene glycol	1.0276	0.9724
Octahydrocurcumin	0.7512	1.2488
octahydropyrrolo[1,2-a]pyrimidine	1.0619	0.9381
Octylamine	1.0453	0.9547
Odorine	1.1247	0.8753
Ofloxacin	1.1868	0.8132
Oleamide	1.0137	0.9863
oleoyl ethanolamide	0.9851	1.0149
Oleuropein	1.3836	0.6164
Olivetol	1.3841	0.6159
Omeprazole sulfone	1.2102	0.7898
O-methylmalonylcarnitine	1.6445	0.3555
Oncostemonol F	1.2616	0.7384
Oncostemonol G	0.9884	1.0116
Oospolactone	1.5780	0.4220
Ophiopogonanone A	0.8299	1.1701
Ophiopogonone C	1.2114	0.7886
Opuntiol	0.9193	1.0807
Orcinol gentiobioside	1.1664	0.8336
Orcinol glucoside	0.8432	1.1568
Ormosanine	0.8828	1.1172
Osmundalactone	0.7461	1.2539
o-Toluic acid	0.9823	1.0177
Oxidosenexone	0.8422	1.1578
Oxoglutaric acid	1.1522	0.8478
Oxonantenine	1.0414	0.9586
Oxypaeoniflorin	1.0973	0.9027
Oxypeucedanin	1.0673	0.9327
Oxypeucedanin hydrate	0.9007	1.0993
Oxyresveratrol	1.0184	0.9816
Oxysophocarpine	0.9972	1.0028
PA(12:0/12:0(3-OH))	0.7499	1.2501
PA(12:0(3-OH)/12:0(3-OH))	1.2662	0.7338
PA(8:0/10:0)	0.9002	1.0998
Pabularin C	1.2115	0.7885
Pacificanone A	1.0915	0.9085
Paederosidic acid methyl ester	1.2149	0.7851
Paeonolide	1.2642	0.7358
PA(i-12:0/i-12:0)	0.9077	1.0923
Palmitelaidic acid	0.7755	1.2245
Palmitic amide	0.8859	1.1141
Palmitoleoyl Ethanolamide	1.0645	0.9355
Palmitoylethanolamide	1.3906	0.6094
Palmitoyl N-Isopropylamide	0.5894	1.4106
Palmitoyl Serinol	0.7797	1.2203
Pamapimod	1.3127	0.6873
Pandangolide 1	1.2561	0.7439
Panthenol	1.0079	0.9921
Paradol	0.9912	1.0088
Paramethadione	1.0130	0.9870
Parthenolide	0.9967	1.0033
Paulownin	0.6301	1.3699
p-Benzoquinone	0.8672	1.1328
PC(16:0/18:1(9Z))	0.6866	1.3134
PC(18:1(12Z)-2OH(9,10)/18:3(9Z,12Z,15Z))	0.7124	1.2876
PC(20:4(5Z,8Z,11Z,14Z)-OH(16R)/16:0)	0.7782	1.2218
PC(22:1(13Z)/16:1(9Z))	1.2075	0.7925
p-Coumaroylagmatine	0.2537	1.7463
p-Coumaroylputrescine	0.5894	1.4106
PC(PGF1alpha/14:0)	0.6596	1.3404
PE(18:1(9Z)/0:0)	1.0502	0.9498
Pedatisectine D	1.2425	0.7575
Peimine	1.0743	0.9257
Penmacric acid	1.2666	0.7334
Pentadeca-5,12-dienoylcarnitine	1.7749	0.2251
Pentadecanolide	0.9325	1.0675
Pentaethylene glycol	0.9024	1.0976
Pentahydroxyflavanone	0.9051	1.0949
Perilla ketone	1.0391	0.9609
Perindoprilat	1.3540	0.6460
Persicogenin	0.7866	1.2134
Pestalotiopamide E	1.6810	0.3190
Petroselaidic acid(C18-1T)	0.9437	1.0563
(+)-Peusedanol	1.8734	0.1266
PF-1052_130138	1.3880	0.6120
Phaseoloidin	1.1091	0.8909
Phe Leu Arg	1.1169	0.8831
Phenazine-1-carboxylic acid	0.9074	1.0926
Phenethyl ferulate	1.1262	0.8738
Phenobarbital	1.2329	0.7671
Phenol glucuronide	1.0245	0.9755
Phenolic phosphate	0.9670	1.0330
Phenylacetylglycine	1.1824	0.8176
Phenylacetylglycine dimethylamide	0.8048	1.1952
Phenylalanylaspartic acid	1.2223	0.7777
Phenylalanylglutamic acid	0.7847	1.2153
Phenylbutyrylglutamine	0.3329	1.6671
Phenyllactic acid	0.9670	1.0330
Phenylpropiolic acid	1.1571	0.8429
Phe Pro Asn	1.4674	0.5326
Phloretin	0.8116	1.1884
Phosphorylcholine	0.7502	1.2498
Phthalic acid	0.8573	1.1427
Phyllanthin	1.9891	0.0109
Phyllurine	1.0068	0.9932
Physalin Y	1.4741	0.5259
Physostigmine	1.0942	0.9058
Phytosphingosine	0.7195	1.2805
Pibocin B	1.3091	0.6909
Picealactone C	1.1361	0.8639
Piceatannol	1.3082	0.6918
Picein	0.9015	1.0985
Picolinic acid	1.1382	0.8618
Picrinine	1.0524	0.9476
Picrocrocin	0.9818	1.0182
Picroside III	1.2029	0.7971
Picrotoxinin	0.8662	1.1338
Pimelotide C	0.6727	1.3273
Pindolol	0.7771	1.2229
Pinoresinol dimethyl ether	1.0139	0.9861
Pinostilbene	1.0115	0.9885
Piptamine(antibiotic)	0.8643	1.1357
Pirbuterol	1.1983	0.8017
Pisatoside	1.3519	0.6481
Piscrocin G	0.2909	1.7091
Pisumionoside	0.5721	1.4279
Pizotyline	1.1296	0.8704
(plusmn)Fenfluramine	0.8853	1.1147
p-Octopamine	0.9646	1.0354
Podofilox	1.0299	0.9701
Podorhizol beta-D-glucoside	1.2760	0.7240
Polygalic acid	1.0368	0.9632
Poncirin	1.7944	0.2056
Ponicidin	1.0448	0.9552
Poricoic acid B	1.6372	0.3628
porphyrin-5,15-diol	0.9644	1.0356
Portentol	0.9832	1.0168
Posoquenin	0.9690	1.0310
Praeruptorin B	1.2264	0.7736
Praeruptorin E	0.8175	1.1825
Praziquantel	0.9987	1.0013
Precocene II	0.9205	1.0795
Pregnan-21-al	0.9932	1.0068
Premithramycin A1	1.1870	0.8130
Prilocaine	0.9502	1.0498
Pristanic acid	0.7906	1.2094
Pro Arg Leu	1.3350	0.6650
Progesterone	0.9106	1.0894
Pro Gln His	1.1269	0.8731
Pro Glu Ile	1.3962	0.6038
Pro Ile	1.0140	0.9860
Pro Ile Trp	1.3026	0.6974
Prolyldiketopiperazine B	0.5519	1.4481
Prolyl-Histidine	1.7676	0.2324
Prolyl-tyrosine	1.1878	0.8122
Propanoylagmatine	0.8181	1.1819
Pro Pro Arg	0.8272	1.1728
Proscillaridin A	1.5292	0.4708
Prosopinine	1.0574	0.9426
Prostaglandin E1	0.7016	1.2984
Protoconstipatic acid	1.7866	0.2134
PSEUDO-ANISATIN	0.9215	1.0785
Pseudodistomin D	0.8551	1.1449
Pseudolaric Acid C	0.9326	1.0674
pseudouridine	0.9013	1.0987
Psorospermin	0.6851	1.3149
Pterosin B	1.0839	0.9161
Pteryxin	0.9169	1.0831
Pubeside B	0.7879	1.2121
Puerarin 6^^-O-Xyloside	1.2454	0.7546
Pumiliotoxin 251D	0.9815	1.0185
Pyridoxamine	0.9972	1.0028
(-)-Pyridoxatin	0.8584	1.1416
Pyridoxine	1.1841	0.8159
Pyriferine A	1.3793	0.6207
Quercetin 3-O-beta-D-(6^^-p-coumaroyl)glucopyranosyl(1-->2)-alpha-L-rhamnopyranoside	0.9384	1.0616
Quinapril	1.6077	0.3923
Quinolinic Acid	0.9756	1.0244
Quisqualic acid	0.8142	1.1858
(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene	0.9641	1.0359
(R)-8-Methylsulfinyloctyl isothiocyanate	1.4942	0.5058
RAFFINOSE	0.9164	1.0836
Raloxifene	1.1604	0.8396
Raspberry ketone glucoside	0.9196	1.0804
Rauwolscine	1.8063	0.1937
[R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one	1.1521	0.8479
Regaloside B	1.0580	0.9420
(rel)-beta-Tocopherol	0.8960	1.1040
Remangilone B	1.5009	0.4991
Resibufogenin	1.4114	0.5886
Retinoic acid	1.3816	0.6184
Reutericyclin	1.3949	0.6051
Rhodamine B	1.1440	0.8560
Rhodojaponin III	0.6979	1.3021
Riboflavin	1.0043	0.9957
Ricinoleic acid	1.2304	0.7696
Ro 20-1724	0.9050	1.0950
Roburic acid	1.0253	0.9747
Roccanin	0.9473	1.0527
Roccellin	1.1889	0.8111
Roehybridine	1.2763	0.7237
Rosin	0.8225	1.1775
R-Palmitoyl-(2-methyl) Ethanolamide	0.9194	1.0806
(R)-Ruxolitinib	1.3417	0.6583
(R)-Sulforaphane	0.8069	1.1931
Rumphellolide C	1.0817	0.9183
Rupestonic acid	1.0356	0.9644
(S)-10-Hydroxycamptothecin	0.8763	1.1237
(S1)-Methoxy-3-heptanethiol	0.7602	1.2398
(S)-9-Hydroxy-10-undecenoic acid	0.9997	1.0003
Sabinic acid	0.9971	1.0029
(+)-Sabinone	0.9418	1.0582
S-Adenosylhomocysteine	1.3808	0.6192
Saikogenin F	1.6250	0.3750
Salbostatin	1.3106	0.6894
Salbutamol	0.9631	1.0369
Salicyl alcohol	0.9428	1.0572
Salicylic acid	0.9180	1.0820
Salicyluric acid	0.9453	1.0547
Salidroside	0.9569	1.0431
Salinipyrone B	1.0362	0.9638
SALSOLINE	0.8861	1.1139
Salvianolic acid G	1.0756	0.9244
S-aminomethyldihydrolipoamide	1.0343	0.9657
Sanjoinine G2	0.8697	1.1303
Santene	0.9687	1.0313
Sarmentosin epoxide	1.5064	0.4936
Sarracenin	1.2576	0.7424
Sarsasapogenin	1.1858	0.8142
Sauchinone	1.2000	0.8000
Scapaniapyrone A	1.2711	0.7289
Scensidin	0.9575	1.0425
Schaftoside	1.3000	0.7000
Schaftoside 4^-O-glucoside	1.1613	0.8387
(S)-(+)-Chelonin B	0.3194	1.6806
Schisandrin B	1.0422	0.9578
Schisandrin C	0.6681	1.3319
Sclareol	1.3966	0.6034
Sclareolide	0.8185	1.1815
S-(-)-Cotinine	0.4859	1.5141
Scutellarein 6-metnyl ether 7-neohesperidoside	1.5007	0.4993
scyllo-Inosamine 4-phosphate	1.3234	0.6766
Sebacoyl-L-carnitine	0.9539	1.0461
Sec-O-Glucosylhamaudol	0.9496	1.0504
Sedanolide	1.0494	0.9506
SELENOCYSTAMINE	1.0327	0.9673
Senecionine	0.2575	1.7425
Senkyunolide H	1.0043	0.9957
Sequoyitol	0.8930	1.1070
Ser Asp Arg	1.0980	0.9020
Serotonin	1.2360	0.7640
Ser Phe Arg	0.9095	1.0905
Ser Tyr Arg	0.5410	1.4590
Ser Val Leu	1.7124	0.2876
Serylleucine	1.4311	0.5689
Sesbanimide A	1.6613	0.3387
Shanzhiside methyl ester	1.4198	0.5802
Shermilamine D	1.3161	0.6839
Shikonin	1.2163	0.7837
Shogaol	0.9300	1.0700
Shogasulfonic acid A	0.7452	1.2548
Sinapaldehyde	1.3759	0.6241
Sinapinic acid	1.3835	0.6165
Sinapinic acid-O-glucuronide isomer	0.6084	1.3916
Sinapoylagmatine	1.0118	0.9882
Sisomicin	0.7878	1.2122
Sitostanol-beta	0.3953	1.6047
(-)-Slaframine	1.1039	0.8961
S-Methyl GSH	0.7033	1.2967
sn-Glycero-3-phosphocholine	1.1344	0.8656
(-)-Solenopsin A	0.4410	1.5590
Songorine	1.9345	0.0655
Sophocarpine	0.9604	1.0396
Soyasapogenol B	1.0919	0.9081
Spathulenol	0.9571	1.0429
(S)-(-)-Perillyl alcohol	0.9785	1.0215
Sphaeranthanolide	1.1777	0.8223
(S)-(-)-Phenylethanol	1.0550	0.9450
Sphingosine 1-phosphate (d16:1-P)	0.9423	1.0577
Sphingosine (d17:1)	0.6670	1.3330
Spiromassaritone	0.9502	1.0498
Spironolactone	1.3419	0.6581
Spirostan	0.7294	1.2706
Sporovexin C	1.7209	0.2791
S-Propyl-L-cysteine	1.2836	0.7164
Squamolone	1.1014	0.8986
Stachydrine	0.8742	1.1258
Stachyline D	1.3038	0.6962
Starch acetate	0.8361	1.1639
Stearamide	0.7895	1.2105
Stearidonic acid	1.3181	0.6819
Stearoylethanolamide	1.3620	0.6380
Stemaphylline N-oxide	1.1732	0.8268
(-)-Stephabinamine	1.4569	0.5431
Sterigmatocystin	1.1717	0.8283
Stigmatellin Y	1.0699	0.9301
Streptonigrone	1.5854	0.4146
Striatin C	0.2203	1.7797
s-Triazine, 2-amino-4-((4-methyl-1-piperazinyl)methyl)-6-piperidino-	0.8701	1.1299
STROBILACTONE A	1.0374	0.9626
Strobochrysin-dimethylether	1.2661	0.7339
Strophanthidin	1.0299	0.9701
Suberylglycine	0.9656	1.0344
SUCCINIC ACID	0.7936	1.2064
Succinyladenosine	1.1704	0.8296
Sucutinirane D	0.9923	1.0077
Sufentanil	0.6952	1.3048
Sulfadoxine	1.0019	0.9981
Sulindac	0.8531	1.1469
Sundiversifolide	1.1373	0.8627
Sweroside	1.4392	0.5608
Swertiajaponin	1.7968	0.2032
Sylviside	1.0174	0.9826
Syringaldehyde	1.0123	0.9877
(-)-Syringaresinol	1.5715	0.4285
Syringic acid	1.0265	0.9735
Syringin	1.1791	0.8209
Tachiogroside B	1.4672	0.5328
Tashironin	1.0289	0.9711
Taxifolin 3-methyl ether	1.2624	0.7376
Tazarotenic acid	0.8556	1.1444
Tecomine	1.5114	0.4886
Tectorigenin	0.9274	1.0726
Tenofovir	0.5761	1.4239
Tepanone	1.3090	0.6910
Terezine B	0.9846	1.0154
terrein	0.8122	1.1878
Tetracenomycin F2	0.7808	1.2192
Tetracenomycin X	1.3529	0.6471
tetradec-5-ynoic acid	0.9841	1.0159
Tetradecanoylcarnitine	1.6128	0.3872
Tetradecyl iodide	1.0409	0.9591
Tetrahydrocortisone	1.4066	0.5934
Tetrahydroxymethoxychalcone	0.8032	1.1968
(+)-Teucriumlactone	0.9413	1.0587
Thiamine	0.7180	1.2820
Thiazole, 4,5-dihydro-2,4,4-trimethyl-	1.1417	0.8583
Thiodi-glycolic acid	0.8277	1.1723
Thioridazine 5-sulfoxide	1.0011	0.9989
Thonningine A	0.9552	1.0448
Thr Arg Tyr	0.4277	1.5723
Threonylhydroxyproline	1.7837	0.2163
Threonylphenylalanine	1.5111	0.4889
Threonylthreonine	0.8680	1.1320
Threonyltyrosine	1.0944	0.9056
Thr Glu	1.2192	0.7808
Thr Phe Arg	1.3290	0.6710
THTC	1.4209	0.5791
Thymidine	1.0087	0.9913
Thymoquinol 2-O-beta-glucopyranoside	0.4888	1.5112
Thyrotropin releasing hormone	0.9417	1.0583
Tilmacoxib	0.9038	1.0962
TMS	0.7328	1.2672
Toddalolactone	0.8955	1.1045
Topsentisterol B1	0.9174	1.0826
Toringin	1.1000	0.9000
Tormentic acid	1.4334	0.5666
Tournefolin B	0.7639	1.2361
trans-2,4-hexadienal	0.8045	1.1955
trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthracene	1.2166	0.7834
trans-3-Hydroxycotinine glucuronide	1.0201	0.9799
trans-7-Nonadecenoic acid	0.7498	1.2502
trans-Chalcone	0.9685	1.0315
trans-Cinnamate	1.1502	0.8498
trans-Ferulic acid	1.2151	0.7849
trans-Isoferulic acid	0.9566	1.0434
trans-p-Menth-8-en-7-ol	0.8422	1.1578
trans,trans-2,4-Decadienal	1.0068	0.9932
Triacetin	1.2347	0.7653
Tri(butoxyethyl)phosphate	1.9112	0.0888
Tricalysioside S	1.1307	0.8693
Tricalysioside T	1.2060	0.7940
Tricaprilin	1.0778	0.9222
Tricin	0.6806	1.3194
Tricin 7-glucoside	1.2825	0.7175
Tridodecylamine	0.3107	1.6893
Triethyl phosphate	1.4913	0.5087
Trifluridine	1.2357	0.7643
Triglyme	1.0329	0.9671
Trihexanoin	0.8884	1.1116
Tri-isobutyl phosphate	1.0489	0.9511
Trimethylgallic acid	1.0579	0.9421
TRIPHENYL PHOSPHATE	0.9730	1.0270
Triphenylphosphine oxid	0.9652	1.0348
Triphenylsilanol	0.9008	1.0992
Tripropilamine	0.9148	1.0852
Triptocalline A	1.2943	0.7057
Triptonide	1.2894	0.7106
Tris(1-chloro-2-propyl)phosphate	1.6055	0.3945
Tris(2,4-di-tert-butylphenyl)phosphate	0.9656	1.0344
Tris(2-hydroxyethyl) isocyanurate	0.9497	1.0503
Trixagotriol	0.9978	1.0022
Trovafloxacin	0.9882	1.0118
Trp-Asp-Ser	1.0342	0.9658
Trp Gln Gln	0.8908	1.1092
Trp Ile His	1.8455	0.1545
Trp Met His	1.1305	0.8695
Trp Phe Glu	1.4282	0.5718
Trp Phe Tyr	1.6694	0.3306
Trp Thr His	0.7486	1.2514
Trp Trp	1.2001	0.7999
Tryptophol	1.2328	0.7672
tryptoquialanol	1.4996	0.5004
Tsitsikammamine A	1.2074	0.7926
Tuberatolide A	1.0476	0.9524
Tuliposide B	0.6861	1.3139
Tumonoic acid E	1.6704	0.3296
Tyr Arg Thr	1.0565	0.9435
Tyr Asn Tyr	1.7882	0.2118
Ureidopropionic acid	0.9264	1.0736
Uridine 2^-phosphate	0.8582	1.1418
Urolithin A	1.2731	0.7269
(+)-Usnic acid	0.9761	1.0239
Ustiloxin F	1.4164	0.5836
Val Arg	1.4781	0.5219
Valerophenone	1.0482	0.9518
Valeryl-carnitine	1.1434	0.8566
Valyl-Gamma-glutamate	1.2314	0.7686
Valyllysine	1.3439	0.6561
Valylproline	1.3155	0.6845
Vanillyl butyl ether	1.2957	0.7043
Vardenafil	0.8975	1.1025
Verbenone	1.0279	0.9721
Vicenin-1	1.2536	0.7464
Vicibactin-7101	1.5987	0.4013
Victoxinine	1.9755	0.0245
Vinburnine	1.0298	0.9702
Vindoline	1.4711	0.5289
Virescenoside Q	1.2383	0.7617
Viridiol	1.3139	0.6861
Visnagin	0.8669	1.1331
Vitexdoin C	1.3623	0.6377
Westcort	1.9221	0.0779
Wilforlide A	0.8962	1.1038
Xanthopterin	0.8959	1.1041
Xanthoxylin	1.0864	0.9136
Xestodecalactone C	1.2601	0.7399
xi-1-(Propylthio)-1-propanethiol	1.4148	0.5852
Xylobiose	0.6278	1.3722
Xylotetraose	0.6062	1.3938
Yaretol	1.3472	0.6528
Yinyanghuo A	0.5609	1.4391
(Z)-2-octylpent-2-enedioic acid	0.9167	1.0833
(Z)-5,8,11-trihydroxyoctadec-9-enoic acid	1.4225	0.5775
Zhepiresinol	1.0511	0.9489
Zingerone	1.2044	0.7956
(Z)-Octadec-12-ene-8,10-diynoic acid	1.2320	0.7680
Zolmitriptan	1.8471	0.1529

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

Factors:

F1	Sample source:wheat grains | Cultivar:ZM22
F2	Sample source:wheat grains | Cultivar:ZM7698