Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST004088)

(Analysis AN006776)

Metabolite	Structure	F1	F2	F3	F4
Gln Lys Lys	ME1085200	NA	0.00	NA	1.33
Erucamide_RT3	ME1085389	NA	0.02	NA	1.49
Cluster of Erucamide_RT3	ME1085388	NA	0.04	NA	1.48
Eicosanoyl-EA_RT3	ME1085390	NA	0.04	NA	1.48
Faradiol laurate	ME1085566	NA	0.31	NA	1.46
N-(tetradecanoyl)-deoxysphing-4-enine-1-sulfonate	ME1085608	NA	0.27	NA	1.36
(9Z,12E)-15,16-Dihydroxyoctadeca-9,12-dienoic acid_RT2	ME1085458	NA	0.64	NA	1.54
PE(16:0/0:0)_RT1	ME1085325	NA	0.46	NA	1.36
Arachidonyl carnitine	ME1085677	NA	0.50	NA	1.50
2H-Benzimidazol-2-one, 1,3-dihydro-1-[1-[[4-(6-phenyl-1H-imidazo[4,5-g]quinoxalin-7-yl)phenyl]methyl]-4-piperidinyl]-	ME1085485	NA	0.51	NA	1.49
Cluster of 2H-Benzimidazol-2-one, 1,3-dihydro-1-[1-[[4-(6-phenyl-1H-imidazo[4,5-g]quinoxalin-7-yl)phenyl]methyl]-4-piperidinyl]-	ME1085484	NA	0.51	NA	1.49
Myristoyl-L-carnitine	ME1085227	NA	0.52	NA	1.72
Paraxanthine	ME1085410	NA	0.58	NA	1.84
N-Desmethyldanofloxacin	ME1085257	NA	0.38	NA	1.62
Ambonic acid	ME1085736	NA	0.30	NA	1.70
4-[4-(Trifluoromethoxy)phenoxy]piperidine	ME1085378	NA	0.22	NA	1.78
16-phenoxy tetranor PGF2.alpha. methyl amide	ME1085199	NA	0.24	NA	1.76
Cluster of Dopamine glucuronide	ME1085640	NA	0.25	NA	1.75
Thr-Ala-OH	ME1085642	NA	0.25	NA	1.75
Cytidine 2^-phosphate	ME1085541	NA	1.23	NA	0.85
ergosteryl oleate	ME1085648	NA	1.28	NA	0.86
Sorbitan oleate_RT1	ME1085576	NA	1.29	NA	0.85
1,4-Dibutyl benzene-1,4-dicarboxylate_RT1	ME1085216	NA	1.30	NA	0.90
3^-O-Aminopropyl-25-hydroxyvitamin D3	ME1085698	NA	1.28	NA	0.91
2-Heptylbenzothiazole_RT3	ME1085694	NA	1.08	NA	0.84
Barbatoflavan	ME1085609	NA	1.10	NA	0.81
Butyl (S)-3-hydroxybutyrate glucoside_RT3	ME1085667	NA	1.17	NA	0.83
(3S)-3,6-Diaminohexanoate	ME1085691	NA	1.19	NA	0.81
Thr-His-OH	ME1085409	NA	1.19	NA	0.81
Monolaurin	ME1085491	NA	1.18	NA	0.82
Oleic acid (d5)	ME1085711	NA	1.18	NA	0.82
15(S)-15-methyl PGF2.alpha. isopropyl ester_RT1	ME1085459	NA	1.16	NA	0.89
Pantoprazole	ME1085140	NA	1.16	NA	0.84
N-Acetyl-9-O-lactoylneuraminic acid	ME1085160	NA	1.16	NA	0.84
1-Formyl-L-tryptophan	ME1085143	NA	1.16	NA	0.84
L-Cystine	ME1085380	NA	1.16	NA	0.84
Tris(2-chloropropyl) phosphate_RT2	ME1085295	NA	1.15	NA	0.85
N-Acetylneuraminic acid, 2,3-dehydro-2-deoxy-_RT2	ME1085548	NA	1.15	NA	0.85
Cluster of N-Acetylneuraminic acid, 2,3-dehydro-2-deoxy-_RT2	ME1085547	NA	1.15	NA	0.85
4-(1H-Indol-3-yl)-1,3-thiazol-2-ylamine	ME1085153	NA	1.15	NA	0.85
5^-(Furan-3-yl)-4a-hydroxy-4,7-dimethylspiro[5,6,7,8a-tetrahydro-1H-naphthalene-8,3^-oxolane]-2,2^-dione_RT1	ME1085321	NA	1.15	NA	0.85
Creatinine	ME1085470	NA	1.14	NA	0.86
Citracridone I	ME1085615	NA	1.14	NA	0.86
1-Nitro-2-phenoxybenzene	ME1085149	NA	1.14	NA	0.86
(23R)-1alpha-hydroxy-25,27-didehydrovitamin D3 26,23-lactone_RT5	ME1085574	NA	1.14	NA	0.86
Tris(2-chloropropyl) phosphate_RT1	ME1084980	NA	1.13	NA	0.87
Methomyl	ME1085680	NA	1.13	NA	0.87
12-oxo-13-hydroxy-9-octadecenoic acid_RT4	ME1085138	NA	1.13	NA	0.87
Glycerol tripropanoate_RT4	ME1085610	NA	1.13	NA	0.87
Thioguanine	ME1085637	NA	1.12	NA	0.88
Nordentatin_RT1	ME1085319	NA	1.12	NA	0.88
Paramethasone	ME1085716	NA	1.12	NA	0.88
(23R)-1alpha-hydroxy-25,27-didehydrovitamin D3 26,23-lactone_RT4	ME1085596	NA	1.13	NA	0.74
Lenticin	ME1085399	NA	1.16	NA	0.68
4-Bromo-3-ethoxy-5-methylisoxazole_RT1	ME1085290	NA	1.31	NA	0.69
Niacinamide	ME1085549	NA	1.29	NA	0.71
2beta,3alpha-Dihydroxy-5beta-cholan-24-oic Acid_RT1	ME1085620	NA	1.28	NA	0.72
Dehydroisocoproporphyrinogen	ME1085727	NA	1.28	NA	0.72
Pantothenic Acid	ME1085333	NA	1.25	NA	0.75
Cluster of 3^-Sialyllactose	ME1085235	NA	1.25	NA	0.75
Hydroxypropionylcarnitine	ME1085528	NA	1.25	NA	0.75
(+/-)N-(2-fluro-ethyl)-2,16-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine_RT2	ME1085644	NA	1.26	NA	0.74
SULFAMONOMETHOXINE	ME1085157	NA	1.26	NA	0.74
3-Phenylpropyl acetate_RT1	ME1085657	NA	1.24	NA	0.76
Echinulin	ME1085401	NA	1.23	NA	0.77
6-Hydroxypentadecanedioic acid_RT5	ME1085616	NA	1.23	NA	0.77
Cluster of Echinulin	ME1085400	NA	1.23	NA	0.77
Lamioside	ME1085631	NA	1.22	NA	0.78
Ethyl 5-(naphthalen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate	ME1085724	NA	1.22	NA	0.78
7-Oxo-11-dodecenoic acid	ME1085313	NA	1.22	NA	0.78
Cluster of Pantoprazole	ME1085139	NA	1.22	NA	0.78
3-Imidazo[2,1-b][1,3]thiazol-6-ylaniline	ME1085154	NA	1.20	NA	0.80
Tris(1-chloro-2-propyl) phosphate_RT1	ME1084979	NA	1.21	NA	0.79
Felodipine	ME1085141	NA	1.21	NA	0.79
Cluster of Tris(1-chloro-2-propyl) phosphate_RT1	ME1084978	NA	1.21	NA	0.79
Dianthoside_RT2	ME1085051	NA	1.21	NA	0.79
8-hydroxy-9,11-octadecadiynoic acid_RT2	ME1085365	NA	1.16	NA	0.52
(10E,15Z)-9,12,13-Trihydroxyoctadeca-10,15-dienoic acid_RT2	ME1085364	NA	1.34	NA	0.49
Cluster of (10E,15Z)-9,12,13-Trihydroxyoctadeca-10,15-dienoic acid_RT2	ME1085363	NA	1.34	NA	0.49
Cluster of (23R)-1alpha-hydroxy-25,27-didehydrovitamin D3 26,23-lactone_RT5	ME1085573	NA	1.45	NA	0.55
Jervine_RT2	ME1085575	NA	1.45	NA	0.55
Emedastine	ME1085627	NA	1.47	NA	0.53
Garcinoic acid_RT2	ME1085222	NA	1.47	NA	0.53
2-{Bis[4-(dimethylamino)phenyl]methyl}phenol	ME1085415	NA	1.40	NA	0.60
Lactapiperanol C	ME1085729	NA	1.40	NA	0.60
(23R)-1alpha-hydroxy-25,27-didehydrovitamin D3 26,23-lactone_RT2	ME1085579	NA	1.42	NA	0.58
5^-Methylthioadenosine_RT1	ME1085158	NA	1.42	NA	0.58
2,3,5,6-Tetrafluoro-4-hydrazinopyridine	ME1085162	NA	1.44	NA	0.56
Hydroquinine	ME1085322	NA	1.43	NA	0.57
Ser Asp Arg Asp_RT1	ME1085361	NA	1.43	NA	0.57
2-Benzoyl-N-methylhydrazinecarbothioamide	ME1085726	NA	1.36	NA	0.64
Bensulfuron-methyl	ME1085707	NA	1.38	NA	0.62
Tridodecylamine	ME1085535	NA	1.37	NA	0.63
L-Glutamine_RT2	ME1085145	NA	1.37	NA	0.63
1,9-Dideoxyforskolin	ME1085241	NA	1.37	NA	0.63
15-HETE-DA	ME1085706	NA	1.37	NA	0.63
17-Acetoxygrindelic acid	ME1085245	NA	1.37	NA	0.63
PE(18:1(9Z)/0:0)_RT2	ME1085345	NA	1.33	NA	0.67
PC(7:0/O-8:0)_RT1	ME1085537	NA	1.33	NA	0.67
Gly Ser Thr	ME1085359	NA	1.33	NA	0.67
Ibopamine	ME1085654	NA	1.33	NA	0.67
Choline	ME1085411	NA	1.34	NA	0.66
1-(2,4-Dimethoxyphenyl)-1H-pyrrole-2,5-dione	ME1085142	NA	1.34	NA	0.66
2-(Methylsulfanyl)-9H-pyrimido[4,5-b]indole	ME1085152	NA	1.34	NA	0.66
SULFAMETER	ME1085148	NA	1.35	NA	0.65
N-(1,3-Dioxolan-2-ylmethoxy)benzimidoyl cyanide	ME1085151	NA	1.35	NA	0.65
2-Propynyl 1H-purin-6-yl sulfide	ME1085156	NA	1.35	NA	0.65
5-Methyl-4-(phenoxymethyl)-3-isoxazolecarboxylic acid	ME1085144	NA	1.35	NA	0.65
Kynurenic acid	ME1085404	NA	1.26	NA	0.62
PE(P-16:0/0:0)	ME1085517	NA	1.29	NA	0.57
Lactose 6-phosphate	ME1085533	NA	1.50	NA	0.67
Violet-leaf aldehyde	ME1085696	NA	1.39	NA	0.74
3-Chloro-4-methylbenzenesulfonamide	ME1085087	NA	1.42	NA	0.79
N,N-Dimethyldodecylamine N-oxide	ME1085305	NA	1.38	NA	0.81
3,5-Dichlorobenzoic acid	ME1085617	NA	0.86	NA	1.10
Dolichyl diphosphate_RT2	ME1085709	NA	0.85	NA	1.10
N-Acetylneuraminate 9-phosphate	ME1085718	NA	0.85	NA	1.10
Tepraloxydim	ME1085064	NA	0.86	NA	1.14
Phosphocholine	ME1085374	NA	0.86	NA	1.14
Ornithine	ME1085254	NA	0.86	NA	1.14
N-Methyl-N-(2-{2-[2-(methylamino)ethoxy]ethoxy}ethyl)amine	ME1084998	NA	0.86	NA	1.14
L-Proline	ME1085258	NA	0.86	NA	1.14
Gln Asn	ME1085375	NA	0.86	NA	1.14
Cluster of Phosphocholine	ME1085373	NA	0.86	NA	1.14
3-Amino-3-(4-fluorophenyl)propionic acid	ME1085379	NA	0.86	NA	1.14
Chidamide	ME1085259	NA	0.86	NA	1.14
Vibsanin B	ME1085341	NA	0.85	NA	1.15
PE(18:1(9Z)/0:0)_RT1	ME1085332	NA	0.85	NA	1.15
N-Oxyclozapine	ME1085052	NA	0.85	NA	1.15
m-Fluorobutyrylfentanyl	ME1085100	NA	0.85	NA	1.15
Cluster of Tris(2-butoxyethyl) phosphate	ME1085339	NA	0.85	NA	1.15
Lys Lys Thr	ME1085524	NA	0.85	NA	1.15
Tranylcypromine_RT1	ME1085475	NA	0.89	NA	1.11
N-Desmethyltamoxifen	ME1085288	NA	0.89	NA	1.11
N-(2-Chlorophenyl)-1,3-thiazol-2-amine	ME1085077	NA	0.89	NA	1.11
Methyl 4-methoxybenzoate	ME1085281	NA	0.89	NA	1.11
Gentamicin_RT2	ME1085580	NA	0.89	NA	1.11
[(E)-3-Acetyloxy-6,7-dihydroxy-7-(6-oxo-2,3-dihydropyran-2-yl)hept-4-en-2-yl] acetate	ME1085062	NA	0.89	NA	1.11
Cluster of 5-[(E)-But-1-enyl]-4-methoxy-6-methylpyran-2-one	ME1085473	NA	0.89	NA	1.11
BW 245C	ME1085094	NA	0.89	NA	1.11
Butyrylcarnitine	ME1085276	NA	0.89	NA	1.11
9,12-Octadecadiynoic acid	ME1085137	NA	0.89	NA	1.11
5^-Methylthioadenosine_RT2	ME1085326	NA	0.89	NA	1.11
5-[(E)-But-1-enyl]-4-methoxy-6-methylpyran-2-one	ME1085474	NA	0.89	NA	1.11
4-Formyl-3-(formylmethyl)-4-hexenoic acid	ME1085278	NA	0.89	NA	1.11
[(1S,2R,4aR,8aR)-1-Hydroxy-1,4a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] 2,3-dimethyloxirane-2-carboxylate	ME1085124	NA	0.89	NA	1.11
2-(3-Hydroxy-4-methylphenyl)-5-methyl-4-hexen-3-one	ME1085629	NA	0.89	NA	1.11
Tris(2-butoxyethyl) phosphate	ME1085340	NA	0.87	NA	1.13
Tetramethyl 7,9-dimethyl-9aH-quinolizine-1,2,3,4-tetracarboxylate	ME1085256	NA	0.87	NA	1.13
Lys-Asn-Lys	ME1085702	NA	0.87	NA	1.13
Hippuric acid_RT1	ME1085481	NA	0.87	NA	1.13
Ethyl salicylate	ME1085280	NA	0.87	NA	1.13
Cluster of Hippuric acid_RT1	ME1085480	NA	0.87	NA	1.13
Cluster of 4-Formyl-3-(formylmethyl)-4-hexenoic acid	ME1085277	NA	0.87	NA	1.13
Cluster of (3R,5S)-5-(Furan-3-yl)-8a^-hydroxy-7^-methyl-3^,4,5,5^,5a^,7^,8^,8a^-octahydrospiro[furan-3,6^-naphtho[1,8-bc]furan]-2,2^(4^H)-dione_RT2	ME1085264	NA	0.87	NA	1.13
6-Aminosaccharin	ME1085086	NA	0.87	NA	1.13
4-Chloro-2-(trifluoromethyl)benzyl alcohol	ME1085084	NA	0.87	NA	1.13
3-Furancarboxylic acid, tetrahydro-4-methylene-5-oxo-2-propyl-, (2R,3S)-rel-	ME1085279	NA	0.87	NA	1.13
2-Thiazolecarboxaldehyde, 4-(trifluoromethyl)-	ME1085071	NA	0.87	NA	1.13
2-Methylglutaric acid_RT3	ME1085202	NA	0.87	NA	1.13
1-Methyl-4-(4^-hydroxystyryl)pyridinium cation	ME1085476	NA	0.87	NA	1.13
2,3-Dihydroxybenzonitrile	ME1085185	NA	0.87	NA	1.13
Trp Lys Lys	ME1085285	NA	0.88	NA	1.12
Palmitoylserotonin	ME1085588	NA	0.88	NA	1.12
Oxybutynin	ME1085523	NA	0.88	NA	1.12
Lewis A trisaccharide_RT1	ME1085291	NA	0.88	NA	1.12
(9S,10E,12S,13S)-9,12,13-Trihydroxy-10-octadecenoic acid_RT2	ME1085551	NA	0.88	NA	1.12
5^-(3^-Methoxy-4^-hydroxyphenyl)-gamma-valerolactone_RT2	ME1084988	NA	0.88	NA	1.12
3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid	ME1085287	NA	0.88	NA	1.12
3-O-(alpha-L-rhamnopyranosyl-(1-2)-alpha-L-rhamnopyranosyl)-3-hydroxydecanoic acid	ME1085607	NA	0.88	NA	1.12
11Z-Octadecenylcarnitine_RT2	ME1085583	NA	0.94	NA	1.13
Glycerol tripropanoate_RT2	ME1085618	NA	0.91	NA	1.04
Pranoprofen_RT3	ME1085612	NA	0.92	NA	1.08
Fucosyllactose	ME1085266	NA	0.92	NA	1.08
FENBUTYRAMIDE	ME1085735	NA	0.92	NA	1.08
DL-Phenylalanine	ME1085067	NA	0.92	NA	1.08
Dichlorophen	ME1084981	NA	0.92	NA	1.08
Cluster of DL-Phenylalanine	ME1085066	NA	0.92	NA	1.08
bk-MDDMA_RT2	ME1085437	NA	0.92	NA	1.08
6-methyl-5-heptenoic acid	ME1085719	NA	0.92	NA	1.08
4-(3-Chlorophenyl)-1,3-thiazol-2-amine	ME1085078	NA	0.92	NA	1.08
3-methyl-N-2-naphthylbutanamide	ME1085129	NA	0.92	NA	1.08
2-Amino-2-ethylbutanoic acid	ME1085300	NA	0.92	NA	1.08
[(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetic acid	ME1085117	NA	0.92	NA	1.08
Taurine	ME1085377	NA	0.91	NA	1.09
Methyl 2-propenyl tetrasulfide	ME1085324	NA	0.91	NA	1.09
L-Carnitine	ME1085343	NA	0.91	NA	1.09
Cluster of Docosahexaenoylglycine	ME1085520	NA	0.91	NA	1.09
Cluster of 12,13-EpOME	ME1085193	NA	0.91	NA	1.09
Bursin	ME1085286	NA	0.91	NA	1.09
7alpha,8alpha-Dihydroxycalonectrin	ME1085636	NA	0.91	NA	1.09
3,7-Dihydroxy-9,11-eremophiladien-8-one	ME1085492	NA	0.91	NA	1.09
1-Isothiocyanato-7-(methylthio)heptane	ME1085669	NA	0.91	NA	1.09
12,13-EpOME	ME1085194	NA	0.91	NA	1.09
1-(2-Hydroxyethyl)-2,2,6,6-tetramethyl-4-piperidinol	ME1085689	NA	0.91	NA	1.09
LysoPC(16:0)_RT2	ME1085303	NA	0.90	NA	1.10
4-Amino-2-fluorobenzoic acid	ME1085082	NA	0.90	NA	1.10
1H-Indazole-3-carboxamide, N-[(1S)-1-(aminocarbonyl)-2-methylpropyl]-1-pentyl-	ME1085662	NA	0.90	NA	1.10
3-Amino-N-(4-chlorophenyl)-3-thioxopropanamide	ME1085079	NA	0.90	NA	1.10
3,5-Dihydroxyphenyl 1-O-(6-O-galloyl-beta-D-glucopyranoside)_RT1	ME1085683	NA	0.88	NA	1.06
Lewis A trisaccharide_RT2	ME1085298	NA	0.90	NA	1.07
4-Nitro-1H-pyrazole-3,5-dicarboxylic acid_RT1	ME1085673	NA	0.95	NA	1.10
Auxin b_RT2	ME1085534	NA	0.95	NA	1.09
3,5-Dichloroaniline	ME1085482	NA	0.94	NA	1.09
5-(4-Chlorophenyl)-2-furaldehyde_RT1	ME1085643	NA	0.94	NA	1.09
Trp Ala Asp	ME1085261	NA	0.95	NA	1.05
S-Propyl 1-propanesulfinothioate_RT4	ME1085639	NA	0.95	NA	1.05
Pentapropylene glycol	ME1085297	NA	0.95	NA	1.05
N,N-Diethyltryptamine	ME1085621	NA	0.95	NA	1.05
Isoglobotriaose (iGb3)	ME1085048	NA	0.95	NA	1.05
Gentianose	ME1085046	NA	0.95	NA	1.05
Di(2-nonyl) phthalate_RT4	ME1085509	NA	0.95	NA	1.05
Cluster of PyroGlu-Lys-Lys	ME1085197	NA	0.95	NA	1.05
Cluster of 3-[5-(Ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid_RT2	ME1085434	NA	0.95	NA	1.05
9-OxoODE_RT4	ME1085327	NA	0.95	NA	1.05
9-HpOME(7E)	ME1085195	NA	0.95	NA	1.05
5-Amino-2-oxopentanoic acid	ME1085263	NA	0.95	NA	1.05
3^-Sialyllactose	ME1085236	NA	0.95	NA	1.05
3-[5-(Ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid_RT2	ME1085435	NA	0.95	NA	1.05
2,2,7,7-Tetramethyl-1,6-dioxaspiro[4.4]nona-3,8-diene	ME1085525	NA	0.95	NA	1.05
2-(2-Oxo-2-(quinolin-3-ylamino)ethyl)benzoic acid_RT3	ME1085006	NA	0.95	NA	1.05
Tri(propylene glycol) butyl ether	ME1085403	NA	0.94	NA	1.06
Tributyl phosphate	ME1085301	NA	0.94	NA	1.06
Starch acetate_RT1	ME1085031	NA	0.94	NA	1.06
PyroGlu-Lys-Lys	ME1085198	NA	0.94	NA	1.06
PC(4:0/18:1(9Z))	ME1085653	NA	0.94	NA	1.06
Oxybenzone	ME1085440	NA	0.94	NA	1.06
norpropoxyphene	ME1085091	NA	0.94	NA	1.06
N-methyl hexanamide	ME1085539	NA	0.94	NA	1.06
N-Butyl-1H-1,3-benzodiazol-2-amine_RT2	ME1085438	NA	0.94	NA	1.06
L-alpha-Amino-5-oxo-2(5H)-isoxazolepropanoic acid	ME1085130	NA	0.94	NA	1.06
Gly-Gly-Gly-Gly-Gly-Gly	ME1085065	NA	0.94	NA	1.06
Galacto-N-biose	ME1085532	NA	0.94	NA	1.06
Dimethomorph	ME1085237	NA	0.94	NA	1.06
Decamethylcyclopentasiloxane	ME1085239	NA	0.94	NA	1.06
7-(Chloromethyl)-2,3-dimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one	ME1085080	NA	0.94	NA	1.06
12-amino-dodecanoic acid	ME1085510	NA	0.94	NA	1.06
1-(4-Fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-ol	ME1085395	NA	0.94	NA	1.06
Teucrin A_RT1	ME1085253	NA	0.93	NA	1.07
PE(18:2(9Z,12Z)/0:0)_RT1	ME1085512	NA	0.93	NA	1.07
PC(16:0/4:0)	ME1085670	NA	0.93	NA	1.07
N-Methylglycine N,N-dimethylamide	ME1085562	NA	0.93	NA	1.07
N-Butyl-1H-1,3-benzodiazol-2-amine_RT1	ME1085563	NA	0.93	NA	1.07
Methylisoeugenol	ME1085544	NA	0.93	NA	1.07
Hallacridone	ME1085004	NA	0.93	NA	1.07
Glutamyl-Tyrosine_RT2	ME1085421	NA	0.93	NA	1.07
Estradiol	ME1085471	NA	0.93	NA	1.07
Erucamide_RT1	ME1085427	NA	0.93	NA	1.07
Docosahexaenoylglycine	ME1085521	NA	0.93	NA	1.07
Cluster of Acetylcarnitine	ME1085251	NA	0.93	NA	1.07
Cinnamyl alcohol_RT2	ME1085384	NA	0.93	NA	1.07
Chaetoglobosin N_RT2	ME1085516	NA	0.93	NA	1.07
C16 Sphinganine	ME1085498	NA	0.93	NA	1.07
9,10-dimethoxy-13-hydroxy-11-octadecenoic acid	ME1085590	NA	0.93	NA	1.07
6,8-Dihydroxy-3-(10-hydroxyundecyl)-3,4-dihydroisochromen-1-one	ME1085098	NA	0.93	NA	1.07
1-Propenyl propyl disulfide_RT2	ME1085671	NA	0.93	NA	1.07
4-Nitro-1H-pyrazole-3,5-dicarboxylic acid_RT2	ME1085119	NA	0.93	NA	1.07
Thr Asn Ala Asp	ME1085622	NA	1.00	NA	1.00
Ser Val Asn Glu	ME1085371	NA	1.00	NA	1.00
Pro Lys Lys	ME1085577	NA	1.00	NA	1.00
Pentaethylene glycol	ME1085248	NA	1.00	NA	1.00
Netilmicin	ME1085347	NA	1.00	NA	1.00
(+/-)N-(2-fluro-ethyl)-2,17-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine_RT1	ME1085626	NA	1.00	NA	1.00
Methyl 2-chloro-4-pyridinecarboxylate	ME1085581	NA	1.00	NA	1.00
maltotetraose	ME1085352	NA	1.00	NA	1.00
Ethyl cellulose	ME1085572	NA	1.00	NA	1.00
Di-n-octyl phthalate_RT1	ME1085381	NA	1.00	NA	1.00
Cluster of Ser Val Asn Glu	ME1085370	NA	1.00	NA	1.00
Cluster of Pentaethylene glycol	ME1085247	NA	1.00	NA	1.00
Cluster of Netilmicin	ME1085346	NA	1.00	NA	1.00
Cluster of Gly Thr Ser	ME1085349	NA	1.00	NA	1.00
Chenodeoxyglycocholic acid_RT5	ME1085184	NA	1.00	NA	1.00
beta-D-Galactopyranosyl-(1->4)-2-amino-2-deoxy-beta-D-glucopyranosyl-(1->6)-D-mannose	ME1085057	NA	1.00	NA	1.00
Asn Gln Gln	ME1085354	NA	1.00	NA	1.00
Armillarin	ME1085504	NA	1.00	NA	1.00
alpha-hydroxysalmeterol	ME1085554	NA	1.00	NA	1.00
5-Amino-2,4-dichlorophenol	ME1085625	NA	1.00	NA	1.00
3^-Hydroxy-.alpha.-naphthoflavone	ME1085042	NA	1.00	NA	1.00
2,5-Dimethyl-3,4-diphenyl-2,4-cyclopentadien-1-one_RT1	ME1085249	NA	1.00	NA	1.00
3-Aminoadipic acid	ME1085026	NA	1.00	NA	1.00
Uric acid	ME1085407	NA	1.01	NA	0.99
Succinyladenosine	ME1085540	NA	1.01	NA	0.99
S-Propyl 1-propanesulfinothioate_RT2	ME1085242	NA	1.01	NA	0.99
Panose	ME1085049	NA	1.01	NA	0.99
Olmesartan	ME1085372	NA	1.01	NA	0.99
N-(2-Hydroxyethyl)-morpholine_RT5	ME1085665	NA	1.01	NA	0.99
Maltotriose	ME1085045	NA	1.01	NA	0.99
Lys Leu Gln	ME1085417	NA	1.01	NA	0.99
Levoglucosan	ME1085010	NA	1.01	NA	0.99
Junipediol A 8-glucoside	ME1085061	NA	1.01	NA	0.99
Glutamyl-Tyrosine_RT1	ME1085189	NA	1.01	NA	0.99
Glucosamine	ME1085017	NA	1.01	NA	0.99
Ethyl 2,4-dihydroxy-3-quinolinecarboxylate	ME1085150	NA	1.01	NA	0.99
D-Sorbose	ME1085040	NA	1.01	NA	0.99
D-Mannose	ME1085020	NA	1.01	NA	0.99
Di-n-octyl phthalate_RT2	ME1085274	NA	1.01	NA	0.99
Dimethyl D-malate	ME1085027	NA	1.01	NA	0.99
Di(2-nonyl) phthalate_RT5	ME1085446	NA	1.01	NA	0.99
D-Galactose	ME1085011	NA	1.01	NA	0.99
Cluster of Lys Leu Gln	ME1085416	NA	1.01	NA	0.99
Cluster of 3.alpha.,6.alpha.-Mannotriose	ME1085043	NA	1.01	NA	0.99
Chenodeoxyglycocholic acid_RT1	ME1085688	NA	1.01	NA	0.99
Butyl (S)-3-hydroxybutyrate glucoside_RT2	ME1085597	NA	1.01	NA	0.99
BENZYLBUTYLPHTHALATE_RT4	ME1085423	NA	1.01	NA	0.99
.alpha.-D-(+)-Talose	ME1085009	NA	1.01	NA	0.99
Adipic acid diisononyl ester_RT2	ME1085429	NA	1.01	NA	0.99
6-Methoxyguanine	ME1085243	NA	1.01	NA	0.99
(5E)-4-[(E)-3-(4-Hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-2-methyl-5-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylidene]cyclopentene-1-carboxylic acid	ME1085055	NA	1.01	NA	0.99
4^-Hydroxy-.alpha.-naphthoflavone	ME1085039	NA	1.01	NA	0.99
4-Chloro-5-fluoro-2-nitrophenol	ME1085661	NA	1.01	NA	0.99
3-(Methoxycarbonyl)but-3-enoic acid	ME1085028	NA	1.01	NA	0.99
3,5-Di-tert-butyl-2-hydroxybenzaldehyde	ME1085368	NA	1.01	NA	0.99
2-Amino-5-chloro-3-nitropyridine	ME1085733	NA	1.01	NA	0.99
2-Hydroxyadipic acid	ME1085023	NA	1.01	NA	0.99
BENZYLBUTYLPHTHALATE_RT2	ME1085316	NA	1.02	NA	0.99
Turanose	ME1085018	NA	1.02	NA	0.98
Sucrose	ME1085014	NA	1.02	NA	0.98
(R)-2-Hydroxy-2H-1,4-benzoxazin-3(4H)-one	ME1084989	NA	1.02	NA	0.98
(+/-)N-(2-fluro-ethyl)-2,16,16-trimethyl-5Z,8Z,11Z,14Z-tricosatetraenoyl amine_RT2	ME1085679	NA	1.02	NA	0.98
Methyl 4-oxo-2-pentenoate_RT1	ME1085230	NA	1.02	NA	0.98
Lactose	ME1085012	NA	1.02	NA	0.98
Hexamethylcyclotrisiloxane_RT3	ME1085296	NA	1.02	NA	0.98
Galactosamine	ME1085025	NA	1.02	NA	0.98
Galactinol	ME1085019	NA	1.02	NA	0.98
Diethyl phthalate_RT2	ME1084986	NA	1.02	NA	0.98
Dibutyl adipate_RT3	ME1085633	NA	1.02	NA	0.98
Cluster of .alpha.-D-(+)-Talose	ME1085008	NA	1.02	NA	0.98
Cassiastearoptene	ME1085586	NA	1.02	NA	0.98
.beta.-Gentiobiose	ME1085015	NA	1.02	NA	0.98
6-(alpha-D-Glucosaminyl)-1D-myo-inositol	ME1085038	NA	1.02	NA	0.98
4-O-.beta.-Galactopyranosyl-D-mannopyranose	ME1085013	NA	1.02	NA	0.98
4-[(2-Furanylmethyl)thio]-2-pentanone	ME1085041	NA	1.02	NA	0.98
3-Deoxyarabinohexonic acid_RT1	ME1085024	NA	1.02	NA	0.98
3-(Aminocarbonyl)benzoic acid_RT2	ME1085699	NA	1.02	NA	0.98
1alpha,25-dihydroxy-2beta-(6-hydroxyhexyl)vitamin D3 / 1alpha,25-dihydroxy-2beta-(6-hydroxyhexyl)cholecalciferol	ME1085738	NA	1.02	NA	0.98
2.alpha.-Mannobiose	ME1085016	NA	1.02	NA	0.98
Adipic acid diisononyl ester_RT5	ME1085385	NA	1.03	NA	0.99
(+/-)N-(2-fluro-ethyl)-2,17-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine_RT4	ME1085646	NA	1.03	NA	0.98
Hexacosanedioic acid_RT2	ME1085511	NA	1.04	NA	0.97
S-Propyl 1-propanesulfinothioate_RT3	ME1085611	NA	1.03	NA	0.97
Sedanolide	ME1085309	NA	1.03	NA	0.97
N-Isobutyl-3-methylbutanamide	ME1085426	NA	1.03	NA	0.97
Methyl aminolevulinate_RT2	ME1085488	NA	1.03	NA	0.97
Glycerol 1-myristate	ME1085208	NA	1.03	NA	0.97
Di(2,6-dimethyl-4-heptyl) phthalate_RT3	ME1085506	NA	1.03	NA	0.97
Cluster of Glycerol 1-myristate	ME1085207	NA	1.03	NA	0.97
7-(4-Methoxyphenyl)-2,4-pteridinediol	ME1085036	NA	1.03	NA	0.97
4-Ethyl-2-heptylthiazole_RT1	ME1085684	NA	1.03	NA	0.97
3-b-Galactopyranosyl glucose	ME1085029	NA	1.03	NA	0.97
2-Phenyl-1,3-thiazolidine-4-carboxylic acid	ME1085170	NA	1.03	NA	0.97
[(2-Oxo-2-phenylethyl)sulfanyl]acetic acid	ME1085175	NA	1.03	NA	0.97
(25R)-11alpha,20,26-trihydroxyecdysone	ME1085604	NA	1.03	NA	0.97
2-Chloro-5-hydroxypyridine	ME1085712	NA	1.03	NA	0.97
N-Succinyl-L,L-2,6-diaminopimelate_RT1	ME1085188	NA	1.02	NA	0.97
3,4-Dihydroxy-tamoxifen	ME1085692	NA	1.02	NA	0.96
Asterosterol	ME1085715	NA	1.02	NA	0.96
Dibutyl adipate_RT2	ME1085430	NA	0.99	NA	1.03
Veratramine_RT2	ME1085457	NA	0.99	NA	1.01
Tridihexethyl	ME1085600	NA	0.99	NA	1.01
trans-Cinnamoylcocaine_RT2	ME1085425	NA	0.99	NA	1.01
S-Propyl 1-propanesulfinothioate_RT1	ME1085565	NA	0.99	NA	1.01
Spiculisporic acid	ME1085464	NA	0.99	NA	1.01
PGG2	ME1085111	NA	0.99	NA	1.01
PG(22:2(13Z,16Z)/0:0)	ME1085444	NA	0.99	NA	1.01
PC(2:0/16:0)_RT1	ME1085451	NA	0.99	NA	1.01
Parecoxib	ME1085238	NA	0.99	NA	1.01
Nordentatin_RT3	ME1085424	NA	0.99	NA	1.01
N-Acetyl gemifloxacin	ME1085649	NA	0.99	NA	1.01
(+/-)N-(2-fluro-ethyl)-2,16,16-trimethyl-5Z,8Z,11Z,14Z-tricosatetraenoyl amine_RT3	ME1085720	NA	0.99	NA	1.01
LysoPC(16:1(9Z))	ME1085348	NA	0.99	NA	1.01
Ile-His-Lys	ME1085120	NA	0.99	NA	1.01
Hexamethylcyclotrisiloxane_RT4	ME1085334	NA	0.99	NA	1.01
Gly Glu Gly Thr Glu_RT1	ME1085353	NA	0.99	NA	1.01
Glycerophosphocholine	ME1085351	NA	0.99	NA	1.01
Glucosylisomaltol_RT1	ME1085022	NA	0.99	NA	1.01
Gentamicin_RT1	ME1085564	NA	0.99	NA	1.01
Dimethyl fumarate	ME1085021	NA	0.99	NA	1.01
DG(18:3(6Z,9Z,12Z)/17:2(9Z,12Z)/0:0)[iso2]	ME1085561	NA	0.99	NA	1.01
D17, 6-keto PGF1a	ME1085121	NA	0.99	NA	1.01
Cystamine	ME1085398	NA	0.99	NA	1.01
Cluster of Trp Asn Ile	ME1085465	NA	0.99	NA	1.01
Cluster of Caffeine_RT2	ME1085455	NA	0.99	NA	1.01
Cluster of BENZYLBUTYLPHTHALATE_RT4	ME1085422	NA	0.99	NA	1.01
Cluster of 2-Hydroxybenzene-1-carbothioamide	ME1085393	NA	0.99	NA	1.01
CAY10415	ME1085246	NA	0.99	NA	1.01
Asn Thr Gln Glu	ME1085358	NA	0.99	NA	1.01
Andrographolide	ME1085109	NA	0.99	NA	1.01
6-keto PGE1	ME1085106	NA	0.99	NA	1.01
5-trans Latanoprost	ME1085183	NA	0.99	NA	1.01
4-Fluorosalicylic acid	ME1085073	NA	0.99	NA	1.01
4-Amino-3-fluorobenzoic acid	ME1085116	NA	0.99	NA	1.01
4-Acetyloxy-8-(3-oxo-2-pent-2-enylcyclopenten-1-yl)octanoic acid	ME1085122	NA	0.99	NA	1.01
2^-Hydroxy-.alpha.-naphthoflavone	ME1085034	NA	0.99	NA	1.01
2-(Chloromethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-ol	ME1085076	NA	0.99	NA	1.01
2-Amino-4,6-dihydroxypyrimidine	ME1085090	NA	0.99	NA	1.01
2,4-Dihydroxy-2,5-dimethyl-3(2H)-furanone	ME1085037	NA	0.99	NA	1.01
2-(2-Oxo-2-(quinolin-3-ylamino)ethyl)benzoic acid_RT1	ME1085032	NA	0.99	NA	1.01
(1aR,2Z,4aR,6S,7S,7aR,8S,9R,11aS)-4a,7,8-Trihydroxy-1,1,3,6-tetramethyl-1a,4a,5,6,7,7a,8,10,11,11a-decahydrospiro[cyclopenta[a]cyclopropa[f][11]annulene-9,2^-oxiran]-4(1H)-one	ME1085099	NA	0.99	NA	1.01
19(R)-Hydroxyprostaglandin B2	ME1085102	NA	0.99	NA	1.01
19R-hydroxy-PGB2	ME1085108	NA	0.99	NA	1.01
19R-hydroxy-PGA2	ME1085097	NA	0.99	NA	1.01
17-trans-Prostaglandin E3	ME1085114	NA	0.99	NA	1.01
15(R),19(R)-Hydroxyprostaglandin E2	ME1085110	NA	0.99	NA	1.01
15-keto-PGE2	ME1085101	NA	0.99	NA	1.01
14-Epiandrographolide	ME1085104	NA	0.99	NA	1.01
14-Deoxy-12-hydroxyandrographolide	ME1085103	NA	0.99	NA	1.01
11-dehydro TXB2	ME1085107	NA	0.99	NA	1.01
1,2,3-Benzenetriol_RT2	ME1085056	NA	0.99	NA	1.01
(R)-4-Dehydropantoate_RT1	ME1085229	NA	0.99	NA	1.02
(+/-)N-(2-fluro-ethyl)-2,16,16-trimethyl-5Z,8Z,11Z,14Z-tricosatetraenoyl amine_RT1	ME1085651	NA	0.99	NA	1.02
13-OxoODE_RT1	ME1085311	NA	0.99	NA	1.02
Cluster of (R)-4-Dehydropantoate_RT1	ME1085228	NA	0.99	NA	1.02
N(8)-Acetylspermidinium_RT2	ME1085687	NA	0.98	NA	1.01
Maleic acid homopolymer_RT2	ME1085713	NA	0.97	NA	1.02
Trp Asn Ile	ME1085466	NA	0.98	NA	1.02
PyroGlu-Phe-Lys	ME1085728	NA	0.98	NA	1.02
PS(22:0/0:0)	ME1085443	NA	0.98	NA	1.02
PC(2:0/18:1(9Z))	ME1085442	NA	0.98	NA	1.02
PC(18:2(2E,4E)/0:0)_RT1	ME1085449	NA	0.98	NA	1.02
Methyl 4-chloro-1H-indole-3-acetate	ME1085096	NA	0.98	NA	1.02
DL-Arginine	ME1085331	NA	0.98	NA	1.02
Di(propylene glycol) tert-butyl ether	ME1085002	NA	0.98	NA	1.02
Di(propylene glycol) butyl ether	ME1085001	NA	0.98	NA	1.02
Dimethipin	ME1085089	NA	0.98	NA	1.02
Digoxigenin monodigitoxoside	ME1085450	NA	0.98	NA	1.02
Dianthoside_RT1	ME1085035	NA	0.98	NA	1.02
Dehydroxyzyleuton	ME1085502	NA	0.98	NA	1.02
Debrisoquin_RT2	ME1085412	NA	0.98	NA	1.02
Cluster of PC(2:0/18:1(9Z))	ME1085441	NA	0.98	NA	1.02
Cluster of PC(18:2(2E,4E)/0:0)_RT1	ME1085448	NA	0.98	NA	1.02
Cluster of Di(propylene glycol) butyl ether	ME1085000	NA	0.98	NA	1.02
Cluster of 2-Thiazolecarboxaldehyde, 4-(trifluoromethyl)-	ME1085070	NA	0.98	NA	1.02
5^-phosphoribosyl-a-N-formylglycineamidine	ME1085159	NA	0.98	NA	1.02
5-Hydroxymethyl-2-furaldehyde_RT1	ME1085030	NA	0.98	NA	1.02
5-Chloro-2-(methylsulfanyl)-4-pyrimidinecarboxylic acid	ME1085721	NA	0.98	NA	1.02
5-(Allylamino)-1,3,4-thiadiazole-2(3H)-thione	ME1085115	NA	0.98	NA	1.02
5-(4-Chlorophenyl)-2-furaldehyde_RT2	ME1085075	NA	0.98	NA	1.02
5-(4-Carboxy-3-methylbutyl)-5,6,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalene-1-carboxylic acid	ME1085118	NA	0.98	NA	1.02
4,6-Dihydroxy-3-(1-hydroxyethyl)-5-methoxy-3H-2-benzofuran-1-one	ME1085050	NA	0.98	NA	1.02
3-Cyclohexyl-1,1-dimethylurea	ME1085386	NA	0.98	NA	1.02
2^-Hydroxy-.beta.-naphthoflavone	ME1085033	NA	0.98	NA	1.02
1,8-Octanedithiol_RT3	ME1085558	NA	0.98	NA	1.02
2-Hydroxybenzene-1-carbothioamide	ME1085394	NA	0.98	NA	1.02
Adipic acid diisononyl ester_RT3	ME1085392	NA	0.98	NA	1.05
Desmethyl frovatriptan	ME1085602	NA	0.95	NA	1.03
Hexamethylcyclotrisiloxane_RT2	ME1085299	NA	0.95	NA	1.03
2-Heptylbenzothiazole_RT2	ME1085674	NA	0.95	NA	1.02
Chenodeoxyglycocholic acid_RT2	ME1085678	NA	0.96	NA	1.02
O-Desmethylvenlafaxine	ME1085223	NA	0.96	NA	1.02
Vaccenic acid_RT2	ME1085514	NA	0.97	NA	1.03
Triazophos	ME1085147	NA	0.97	NA	1.03
Scytonemin	ME1085478	NA	0.97	NA	1.03
Pyroglutamic acid	ME1084992	NA	0.97	NA	1.03
Phytyl diphosphate	ME1085499	NA	0.97	NA	1.03
Phenanthro[3,2-b]furan-9(1H)-one, 2,3,4,4a,5,6,6a,7,10a,11,11a,11b-dodecahydro-6,10a-dihydroxy-4-(hydroxymethyl)-4,7,11b-trimethyl-	ME1085123	NA	0.97	NA	1.03
PGF2alpha dimethyl amide	ME1085072	NA	0.97	NA	1.03
PGD3	ME1085105	NA	0.97	NA	1.03
PE(18:2(9Z,12Z)/0:0)_RT2	ME1085531	NA	0.97	NA	1.03
PC(0:0/18:1(9Z))	ME1085701	NA	0.97	NA	1.03
N-{5-[(2-Amino-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-yl}-N-methylamine	ME1085085	NA	0.97	NA	1.03
Lys-Lys-Lys	ME1085522	NA	0.97	NA	1.03
L-Histidinol	ME1085624	NA	0.97	NA	1.03
Glu Asp Thr Glu_RT1	ME1084996	NA	0.97	NA	1.03
gamma-Glutamyl-beta-aminopropiononitrile	ME1085128	NA	0.97	NA	1.03
Ethyl 2-aminobenzoate	ME1085069	NA	0.97	NA	1.03
D-Pyroglutamic acid	ME1084991	NA	0.97	NA	1.03
Dopamine glucuronide	ME1085641	NA	0.97	NA	1.03
Cluster of Scytonemin	ME1085477	NA	0.97	NA	1.03
Cluster of D-Pyroglutamic acid	ME1084990	NA	0.97	NA	1.03
Asn Ala Asp Ser Ser_RT1	ME1084995	NA	0.97	NA	1.03
Abscisic alcohol_RT1	ME1085494	NA	0.97	NA	1.03
8-iso-15-keto-PGE2	ME1085113	NA	0.97	NA	1.03
5-Nitro-2-(2-pyridinyl)-1H-benzimidazole	ME1085059	NA	0.97	NA	1.03
5-hydroperoxy-7-[3,5-epidioxy-2-(2-octenyl)-cyclopentyl]-6-heptenoic acid	ME1085656	NA	0.97	NA	1.03
4Z-Hepten-2R-ol	ME1085005	NA	0.97	NA	1.03
4-Methylnonanoic acid	ME1085003	NA	0.97	NA	1.03
(3S,5R,6R,7E)-3,5,6-Trihydroxy-7-megastigmen-9-one	ME1085695	NA	0.97	NA	1.03
3-Ethyl-1,2-benzenediol_RT2	ME1085513	NA	0.97	NA	1.03
2-Hydroxy-4-(octyloxyl)benzophenone	ME1085317	NA	0.97	NA	1.03
2-Ethyloctanoic acid	ME1085007	NA	0.97	NA	1.03
(2-Biphenyl)dicyclohexylphosphine	ME1085088	NA	0.97	NA	1.03
2-Chloro-6-(trifluoromethyl)benzyl alcohol	ME1085083	NA	0.97	NA	1.03
13-HOTE_RT1	ME1085312	NA	0.97	NA	1.04
Triethyl phosphate	ME1085126	NA	0.96	NA	1.04
Simvastatin 4^-methyl ether	ME1085181	NA	0.96	NA	1.04
Olsalazine	ME1085731	NA	0.96	NA	1.04
N-(4-Piperidinyl)cyclohexanecarboxamide	ME1085483	NA	0.96	NA	1.04
N-3,7-Dimethyl-2,6-octadienylcyclopropylcarboxamide	ME1085503	NA	0.96	NA	1.04
Lipoxin A5	ME1085112	NA	0.96	NA	1.04
L-Arginine	ME1085330	NA	0.96	NA	1.04
Hexapropylene glycol	ME1085557	NA	0.96	NA	1.04
Ethylene brassylate	ME1085717	NA	0.96	NA	1.04
dodecanamide	ME1085500	NA	0.96	NA	1.04
Diethyltoluamide	ME1085328	NA	0.96	NA	1.04
Dibutyl disulfide_RT2	ME1085578	NA	0.96	NA	1.04
Dibutyl disulfide_RT1	ME1085594	NA	0.96	NA	1.04
Cluster of Triethyl phosphate	ME1085125	NA	0.96	NA	1.04
Cluster of L-Arginine	ME1085329	NA	0.96	NA	1.04
cannogenin	ME1085418	NA	0.96	NA	1.04
C19 Sphingosine-1-phosphate	ME1085601	NA	0.96	NA	1.04
BENZYLBUTYLPHTHALATE_RT3	ME1085275	NA	0.96	NA	1.04
Acetal R	ME1085505	NA	0.96	NA	1.04
6-Hydroxychlorzoxazone	ME1085081	NA	0.96	NA	1.04
4,7-Dimethyl-1,3-benzothiazol-2-ylamine	ME1085495	NA	0.96	NA	1.04
3.alpha.,6.alpha.-Mannotriose	ME1085044	NA	0.96	NA	1.04
2-Hydroxy-3-(3,4-dihydroxyphenyl)propanamide	ME1085436	NA	0.96	NA	1.04
2-Chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide	ME1085074	NA	0.96	NA	1.04
2-Amino-5-methylhexanoic acid	ME1085556	NA	0.96	NA	1.04
1-Methoxy-1-(2,4,5-trimethoxyphenyl)-2-propanol	ME1085593	NA	0.96	NA	1.04
1-(Dimethylamino)-3-(1-naphthyloxy)-2-propanol	ME1085127	NA	0.96	NA	1.04
1-(2-Pyrimidinyl)-3-piperidinamine	ME1085529	NA	0.96	NA	1.04
13^-Carboxy-alpha-tocotrienol	ME1085660	NA	0.96	NA	1.04
1,6-Dimethoxy-9H-carbazole-3-carboxaldehyde_RT2	ME1085652	NA	1.08	NA	0.97
Elaidic carnitine_RT3	ME1085542	NA	1.06	NA	0.97
Erucamide_RT4	ME1085515	NA	1.03	NA	0.94
Piperolein B	ME1085323	NA	1.05	NA	0.95
N-(1-Naphthyl)ethylenediamine	ME1085650	NA	1.05	NA	0.95
Glycerol tripropanoate_RT1	ME1085250	NA	1.05	NA	0.95
Dimethyl succinate_RT4	ME1085714	NA	1.05	NA	0.95
Creatine	ME1085294	NA	1.05	NA	0.95
Cluster of Simvastatin 4^-methyl ether	ME1085180	NA	1.05	NA	0.95
Cluster of 13-OxoODE_RT3	ME1085134	NA	1.05	NA	0.95
5-Chloro-2-hydroxy-3-nitrobenzoic acid	ME1085559	NA	1.05	NA	0.95
3.alpha.,4.beta.-Galactotriose	ME1085060	NA	1.05	NA	0.95
2-Pyridinemethanamine, N-[[4-(1,4,8,11-tetraazacyclotetradec-1-ylmethyl)phenyl]methyl]-	ME1085725	NA	1.05	NA	0.95
2-Amino-4-ethoxy-3-hydroxybutanoic acid_RT1	ME1085231	NA	1.05	NA	0.95
(.+/-.)13-HpODE_RT3	ME1085136	NA	1.05	NA	0.95
1H-Indazole-3-carboxamide, 1-(5-fluoropentyl)-N-8-quinolinyl-	ME1085723	NA	1.05	NA	0.95
Hexacosanedioic acid_RT4	ME1085526	NA	1.03	NA	0.96
Veratramine_RT1	ME1085205	NA	1.04	NA	0.96
sn-glycero-3-Phosphoethanolamine	ME1085155	NA	1.04	NA	0.96
(+)-Setoclavine	ME1085095	NA	1.04	NA	0.96
Ser Thr Asn Glu	ME1085567	NA	1.04	NA	0.96
Muricatacin	ME1085209	NA	1.04	NA	0.96
Mefloquine	ME1085408	NA	1.04	NA	0.96
Hexaethylene glycol	ME1085302	NA	1.04	NA	0.96
Erlose	ME1085053	NA	1.04	NA	0.96
Dibutyl adipate_RT5	ME1085369	NA	1.04	NA	0.96
Cluster of Uric acid	ME1085406	NA	1.04	NA	0.96
Cluster of 6-Sialylgalactose	ME1085419	NA	1.04	NA	0.96
Boc-(R)-.alpha.-(4-bromobenzyl)proline	ME1085161	NA	1.04	NA	0.96
Asp Gln Ala Asp	ME1085568	NA	1.04	NA	0.96
9-OxoODE_RT1b	ME1085310	NA	1.04	NA	0.96
6-Sialylgalactose	ME1085420	NA	1.04	NA	0.96
4-Chlorobenzoic acid	ME1085584	NA	1.04	NA	0.96
2-Heptyl-4,5-dimethylthiazole_RT2	ME1085708	NA	1.04	NA	0.96
4-Bromo-3-ethoxy-5-methylisoxazole_RT2	ME1085367	NA	1.04	NA	0.96
2-(1-Hydroxycyclopentyl)-2-phenylacetic acid	ME1085739	NA	1.05	NA	0.92
LysoPE(0:0/20:4(8Z,11Z,14Z,17Z))	ME1085213	NA	1.07	NA	0.93
LysoPC(18:0)	ME1085472	NA	1.07	NA	0.93
Caffeine_RT2	ME1085456	NA	1.07	NA	0.93
AMC Arachidonoyl Amide	ME1085402	NA	1.07	NA	0.93
6-Hydroxywarfarin	ME1085054	NA	1.07	NA	0.93
13-OxoODE_RT3	ME1085135	NA	1.07	NA	0.93
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside	ME1085630	NA	1.07	NA	0.93
Roxindole	ME1085414	NA	1.06	NA	0.94
N-Acetylneuraminic acid_RT1	ME1085187	NA	1.06	NA	0.94
Glycodeoxycholic acid	ME1085182	NA	1.06	NA	0.94
Cluster of Roxindole	ME1085413	NA	1.06	NA	0.94
Cluster of N-Acetylneuraminic acid_RT1	ME1085186	NA	1.06	NA	0.94
Caffeine_RT1	ME1085201	NA	1.06	NA	0.94
3-Galactosyllactose	ME1085063	NA	1.06	NA	0.94
Brassilexin	ME1085710	NA	1.06	NA	0.94
3-Chlorophthalic anhydride	ME1085682	NA	1.10	NA	0.93
6-Aminohexanamide_RT3	ME1085387	NA	1.11	NA	0.95
Starch acetate_RT2	ME1085047	NA	1.09	NA	0.91
PC(O-6:0/O-6:0)_RT1	ME1085552	NA	1.09	NA	0.91
Laminaritetraose	ME1085356	NA	1.09	NA	0.91
DL-10-hydroxy stearic acid_RT1	ME1085658	NA	1.09	NA	0.91
Cluster of 1,4-Dibutyl benzene-1,4-dicarboxylate_RT2	ME1084983	NA	1.09	NA	0.91
Butyl (S)-3-hydroxybutyrate glucoside_RT1	ME1085613	NA	1.09	NA	0.91
1,4-Dibutyl benzene-1,4-dicarboxylate_RT2	ME1084984	NA	1.09	NA	0.91
4-Fluoro-DL-tryptophan	ME1085439	NA	1.09	NA	0.91
Gln Val Trp	ME1085467	NA	1.08	NA	0.92
Cluster of 9-OxoODE_RT1	ME1085307	NA	1.08	NA	0.92
9-OxoODE_RT1a	ME1085308	NA	1.08	NA	0.92
Acetylcarnitine	ME1085252	NA	1.08	NA	0.92
Pregabalin	ME1084997	NA	1.11	NA	0.89
L-Glutamine_RT1	ME1084994	NA	1.11	NA	0.89
Cluster of 4^-Methyl-3,4,5-trimethoxychalcone_RT2	ME1085314	NA	1.11	NA	0.89
Hexanoylcarnitine	ME1085690	NA	1.11	NA	0.89
N-Nitroso-N-methyl-3-aminopropionic acid, methyl ester_RT1	ME1084993	NA	1.10	NA	0.90
(-)-N6-(2-Phenylisopropyl)adenosine	ME1085489	NA	1.10	NA	0.90
Mono-2-ethylhexyl phthalate_RT2	ME1084985	NA	1.10	NA	0.90
L-Valine_RT2	ME1085293	NA	1.10	NA	0.90
Methyl [3-(trifluoromethyl)anilino]acetate	ME1085146	NA	1.10	NA	0.90
Indolelactic acid	ME1085165	NA	0.70	NA	1.30
DMAPP (ammonium salt)	ME1085666	NA	0.72	NA	1.28
Phenylalanyl-Glycine	ME1085166	NA	0.71	NA	1.29
Cluster of D-Tryptophan	ME1085163	NA	0.71	NA	1.29
D-Tryptophan	ME1085164	NA	0.71	NA	1.29
N-Hexadecanoylpyrrolidine	ME1085507	NA	0.73	NA	1.27
Hexapropylene glycol monobutyl ether	ME1085543	NA	0.73	NA	1.27
2H-Pyrido[3,2-b]-1,4-oxazin-3(4H)-one, 6-[[5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimidinyl]amino]-2,2-dimethyl-	ME1085272	NA	0.73	NA	1.27
(3R,5S)-5-(Furan-3-yl)-8a^-hydroxy-7^-methyl-3^,4,5,5^,5a^,7^,8^,8a^-octahydrospiro[furan-3,6^-naphtho[1,8-bc]furan]-2,2^(4^H)-dione_RT2	ME1085265	NA	0.73	NA	1.27
Ser Asp Arg Asp_RT2	ME1085603	NA	0.74	NA	1.26
Glu Asn Gln	ME1085338	NA	0.74	NA	1.26
7-hydroxymethotrexate	ME1085271	NA	0.74	NA	1.26
6-O-b-D-Fructofuranosyl-2-deoxy-D-glucose	ME1085267	NA	0.74	NA	1.26
2-O-alpha-D-Galactopyranosyl-1-deoxynojirimycin	ME1085269	NA	0.74	NA	1.26
4^-Methyl-3,4,5-trimethoxychalcone_RT2	ME1085315	NA	0.74	NA	1.26
3-Acetyl-2,5-dimethylfuran_RT1	ME1085283	NA	0.75	NA	1.25
8,8-Dimethoxy-2,6-dimethyl-2-octanol	ME1085655	NA	0.75	NA	1.25
PC(16:0/2:0)	ME1085212	NA	0.76	NA	1.24
PC(13:0/0:0)_RT2	ME1085553	NA	0.76	NA	1.24
Isomyristic acid	ME1085693	NA	0.76	NA	1.24
1-Monopalmitin	ME1085191	NA	0.76	NA	1.24
Cluster of 1-Monopalmitin	ME1085190	NA	0.76	NA	1.24
2-Amino-1-phenylethanol	ME1085068	NA	0.77	NA	1.23
(2S)-N-tert-Butyl-3-[4-(2-methoxyphenyl)piperazino]-2-phenylpropionamide	ME1085093	NA	0.77	NA	1.23
S-Farnesyl Thioacetic Acid	ME1085668	NA	0.80	NA	1.20
Phe-Thr-Lys	ME1085645	NA	0.79	NA	1.21
N-((2-Hydroxy-3-oxo-2-(pent-2-en-1-yl)cyclopentyl)acetyl)isoleucine	ME1085282	NA	0.79	NA	1.21
L-Tyrosine	ME1085344	NA	0.79	NA	1.21
L-Homoserine	ME1084999	NA	0.79	NA	1.21
Cluster of 2-Linoleoylglycerol	ME1085224	NA	0.79	NA	1.21
6-Methyl-3,10-dimethylidene-2,7-dioxo-2,3,3a,4,5,6,7,10,11,11a-decahydro-6,9-epoxycyclodeca[b]furan-4-yl 2-methylprop-2-enoate_RT1	ME1085255	NA	0.79	NA	1.21
11Z-octadecen-9-ynoic acid	ME1085196	NA	0.79	NA	1.21
2-Linoleoylglycerol	ME1085225	NA	0.79	NA	1.21
N-(1-Methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-1-(p-tolyl)methanesulfonamide	ME1085260	NA	0.78	NA	1.22
Lys-Trp-Lys	ME1085284	NA	0.78	NA	1.22
Gln Gln Asp	ME1085337	NA	0.78	NA	1.22
Elaidamide	ME1085496	NA	0.78	NA	1.22
Cluster of Gln Gln Asp	ME1085336	NA	0.78	NA	1.22
Cluster of 3-Hydroxy-2-((9Z,12Z)-octadeca-9,12-dienoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate_RT2	ME1085210	NA	0.78	NA	1.22
6^-Sialyllactose	ME1085240	NA	0.78	NA	1.22
3-Hydroxy-2-((9Z,12Z)-octadeca-9,12-dienoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate_RT2	ME1085211	NA	0.78	NA	1.22
18-oxo-nonadecanoic acid	ME1085192	NA	0.78	NA	1.22
2-Propylthiazolo[4,5-c]quinolin-4-amine	ME1085376	NA	0.78	NA	1.22
Benzoquinoneacetic acid_RT1	ME1085217	NA	0.81	NA	1.19
(2S,2^^S,3S,3^^R,4S)-3,4^,5,7-Tetrahydroxyflavan(2->7,4->8)-3,4^,5,7-tetrahydroxyflavan_RT2	ME1085681	NA	0.82	NA	1.18
Levocabastine_RT1	ME1085703	NA	0.82	NA	1.18
Debrisoquin_RT1	ME1085447	NA	0.84	NA	1.16
Methyl 3-amino-3-(3,4-dimethoxyphenyl)propanoate_RT1	ME1085463	NA	0.83	NA	1.17
Pregnanetriol	ME1085226	NA	0.83	NA	1.17
Osmundalin_RT2	ME1085527	NA	0.73	NA	1.18
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2,3-dihydrochromen-4-one	ME1085479	NA	0.81	NA	1.13
AM1172	ME1085204	NA	0.75	NA	1.12
Dehydroascorbic acid	ME1085178	NA	0.77	NA	1.16
D-Glucarate	ME1085168	NA	0.77	NA	1.15
Cluster of D-Glucarate	ME1085167	NA	0.77	NA	1.15
5-Fluorouridine monophosphate	ME1085730	NA	0.77	NA	1.15
Citric acid	ME1085172	NA	0.77	NA	1.15
[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetic acid	ME1084982	NA	0.84	NA	1.32
9,12,13,TriHODE_RT2	ME1085366	NA	0.89	NA	1.22
6-Hydroxypentadecanedioic acid_RT3	ME1085672	NA	0.63	NA	1.18
Furaneol 4-glucoside_RT1	ME1085571	NA	0.63	NA	1.25
Pro Phe Met Thr Gly	ME1085486	NA	0.56	NA	1.29
Elaidic carnitine_RT1	ME1085560	NA	0.53	NA	1.23
N-Succinyl-L,L-2,6-diaminopimelate_RT2	ME1085550	NA	0.57	NA	1.21
10-Nitrooleic acid_RT1	ME1085685	NA	0.70	NA	1.44
3-hydroxyoctadecanoylcarnitine_RT4	ME1085569	NA	0.79	NA	1.42
GLUCITOL-4-GUCOPYANOSIDE	ME1085270	NA	0.68	NA	1.32
12-HOME(10E)	ME1085589	NA	0.67	NA	1.33
PC(O-10:1(9E)/2:0)	ME1085342	NA	0.67	NA	1.33
Cluster of Mono-2-ethylhexyl phthalate_RT1	ME1085214	NA	0.65	NA	1.35
Mono-2-ethylhexyl phthalate_RT1	ME1085215	NA	0.65	NA	1.35
LysoPC(16:0)_RT1	ME1085405	NA	0.66	NA	1.34
(+/-)N-(2-fluro-ethyl)-2,17,17-trimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine	ME1085634	NA	0.66	NA	1.34
3-Methyl-1,2,3,4-tetrahydro-8-quinolinesulfonamide	ME1085171	NA	0.61	NA	1.39
Nicotinamide ribotide	ME1085487	NA	0.62	NA	1.38
MG(18:1(11E)/0:0/0:0)[rac]	ME1085497	NA	0.56	NA	1.44
2-(Acetylamino)-N-[2-(1-piperidinyl)phenyl]-1,3-thiazole-4-carboxamide	ME1085268	NA	0.58	NA	1.42
Dihydro-3-(1-octenyl)-2,5-furandione	ME1085538	NA	0.59	NA	1.41
Ethyl 3-isothiocyanato-1H-indole-2-carboxylate	ME1085397	NA	2.37	NA	0.08
L-Propionylcarnitine_RT2	ME1085273	NA	2.85	NA	0.07
Isosorbide Mononitrate	ME1085174	NA	2.62	NA	0.19
Aconitic acid	ME1085179	NA	2.74	NA	0.13
Diketogulonic acid	ME1085169	NA	2.73	NA	0.14
Myristoyl-EA	ME1085292	NA	2.73	NA	0.13
Oleyl alcohol	ME1085647	NA	2.00	NA	0.00
2-Hydroxy-3-nitropropanoic acid	ME1085396	NA	1.99	NA	0.01
Codisterol	ME1085737	NA	1.99	NA	0.01
Mucic acid	ME1085177	NA	1.93	NA	0.07
Ethyl 2-(allylamino)-4-methyl-1,3-thiazole-5-carboxylate	ME1085176	NA	1.91	NA	0.09
Cluster of Diethyl phthalate_RT1	ME1085461	NA	1.91	NA	0.09
Diethyl phthalate_RT1	ME1085462	NA	1.91	NA	0.09
N-(Ethoxymethanethioyl)benzamide	ME1085173	NA	1.89	NA	0.11
Cluster of N-Acetylputrescine_RT1	ME1085232	NA	1.90	NA	0.10
N-Acetylputrescine_RT1	ME1085233	NA	1.90	NA	0.10
Lys Gln Lys	ME1085206	NA	2.06	NA	0.65
Theobromine	ME1085433	NA	2.04	NA	0.30
C14 sphingosine	ME1085592	NA	1.85	NA	0.44
Cluster of Hexamethylcyclotrisiloxane_RT1	ME1085131	NA	1.89	NA	0.41
Hexamethylcyclotrisiloxane_RT1	ME1085132	NA	1.89	NA	0.41
Isovalerylcarnitine	ME1085362	NA	1.44	NA	0.12
Emmotin A_RT2	ME1084987	NA	1.57	NA	0.43
N-(1-Amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentyl-1H-indole-3-carboxamide	ME1085318	NA	1.57	NA	0.43
8-HpODE_RT2	ME1085697	NA	1.59	NA	0.41
6-Hydroxypentadecanedioic acid_RT2	ME1085595	NA	1.58	NA	0.42
Panaxatriol	ME1085632	NA	1.58	NA	0.42
Cluster of Jervine_RT1	ME1085218	NA	1.49	NA	0.51
Gly Thr Ser	ME1085350	NA	1.52	NA	0.48
PE(18:0/0:0)	ME1085335	NA	1.51	NA	0.49
Calycanthidine	ME1085676	NA	1.79	NA	0.21
L-Valine, N-[(1-pentyl-1H-indol-3-yl)carbonyl]-, methyl ester	ME1085320	NA	1.70	NA	0.30
Jervine_RT1	ME1085219	NA	1.71	NA	0.29
D-erythro-Sphingosine C-15	ME1085700	NA	1.72	NA	0.28
Prostaglandin E2 ethanolamide	ME1085244	NA	1.72	NA	0.28
15(S)-15-methyl PGF2.alpha. isopropyl ester_RT2	ME1085220	NA	1.64	NA	0.36
6-Keto-decanoylcarnitine	ME1085598	NA	1.68	NA	0.32
L-Propionylcarnitine_RT1	ME1085460	NA	1.67	NA	0.33

Factors:

F1	Vitamin D Status:High \| Sample source:Infant Stool
F2	Vitamin D Status:High \| Sample source:Maternal Breast Milk
F3	Vitamin D Status:Low \| Sample source:Infant Stool
F4	Vitamin D Status:Low \| Sample source:Maternal Breast Milk

Data matrix