Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003088)

(Analysis AN005050)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8
MW_421.21755@RT_10.392	ME806150	0.55	0.68	3.23	2.00	0.45	0.14	0.15	0.09
guanine	ME806072	1.07	1.28	3.56	1.56	0.25	0.02	0.03	0.01
MW_321.06957@RT_13.811	ME806138	1.12	0.91	3.86	1.63	0.02	0.01	0.02	0.00
MW_829.56161@RT_1.704	ME806164	0.05	0.05	3.31	1.82	0.87	0.61	0.48	0.02
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[10-(2-hexylcyclopropyl)decanoyl]oxy}propyl palmitate	ME805974	0.24	0.30	3.88	1.96	0.34	0.24	0.23	0.00
MW_705.53067@RT_1.745	ME806161	0.20	0.24	4.23	2.03	0.11	0.06	0.22	0.02
MW_729.53081@RT_1.720	ME806162	0.08	0.10	4.18	2.04	0.41	0.09	0.10	0.02
MW_192.14765@RT_5.742	ME806108	1.50	1.61	0.23	0.82	3.10	0.83	0.32	0.00
(.+/-.)-1-Amino-2-propanol	ME805973	0.81	0.79	0.21	0.41	3.80	1.95	0.36	0.00
homocitrulline	ME806081	1.04	0.56	0.09	1.08	3.24	1.15	0.78	0.00
AMP degenerate	ME806009	0.26	0.19	1.60	1.84	1.26	0.27	2.06	0.07
Butyrylcarnitine	ME806017	0.64	0.67	1.23	1.17	2.49	0.96	0.76	0.00
hypoxanthine	ME806083	0.43	0.63	1.03	1.96	1.80	0.70	0.89	0.00
uracil	ME806232	0.41	0.87	1.27	1.59	2.01	0.70	0.78	0.10
DEOXYCARNITINE	ME806042	0.74	0.94	1.46	1.91	1.20	0.58	0.74	0.00
Choline	ME806022	1.03	0.67	1.76	1.73	1.10	0.53	0.75	0.00
sorbitol	ME806217	0.77	0.63	1.77	1.74	0.89	0.90	0.73	0.10
methionine	ME806094	0.34	1.23	1.45	2.29	1.74	0.12	0.19	0.00
MW_103.04568@RT_6.284	ME806101	0.31	1.53	1.33	2.29	1.66	0.12	0.24	0.01
THTC	ME806224	0.31	1.47	1.44	2.26	1.62	0.13	0.22	0.00
C5 Carnitines	ME806019	0.97	1.01	1.62	1.42	2.17	0.33	0.28	0.00
NP-001346	ME806180	0.60	0.86	1.66	1.85	2.20	0.16	0.09	0.02
Uracil degenerate	ME806233	0.65	0.57	1.09	2.35	1.79	0.29	0.31	0.03
uridine	ME806234	0.54	0.48	1.31	2.30	1.46	0.57	0.31	0.08
"5,10-CH2-H4PteGlu"	ME805997	0.27	0.53	1.75	2.12	1.88	0.18	0.45	0.04
MW_324.15331@RT_13.690	ME806139	0.60	0.55	1.75	1.99	1.81	0.30	0.23	0.02
MW_230.09040@RT_10.434	ME806118	0.83	0.76	1.81	1.72	1.56	0.44	0.42	0.01
MW_83.03722@RT_9.319 (2)	ME806166	0.53	0.60	1.53	1.80	1.75	0.69	0.43	0.09
CMP	ME806025	0.04	0.04	2.14	1.99	2.74	0.05	0.03	0.00
IMP	ME806086	0.00	0.00	2.65	1.85	2.49	0.07	0.01	0.00
S-Adenosyl-L-methionine	ME806213	0.60	0.79	2.49	1.89	1.28	0.21	0.15	0.00
GDP	ME806058	0.02	0.02	2.71	2.15	1.95	0.03	0.03	0.01
MW_368.24245@RT_12.683	ME806142	0.23	0.25	2.78	1.90	1.47	0.31	0.24	0.02
O-PHOSPHOETHANOLAMINE	ME806184	0.16	0.20	3.01	2.07	1.28	0.19	0.15	0.00
phosphocholine	ME806193	0.06	0.08	3.02	2.31	1.16	0.13	0.09	0.01
CDP-ETHANOLAMINE	ME806021	0.01	0.02	1.96	2.40	2.24	0.08	0.05	0.01
glycine	ME806064	0.20	0.22	2.00	2.35	1.78	0.15	0.17	0.04
aspartate	ME806013	0.05	0.05	2.23	2.23	1.59	0.36	0.43	0.01
glutamate	ME806060	0.17	0.14	2.39	1.93	1.39	0.60	0.49	0.08
"Fructose 1,6-bisphosphate"	ME806054	0.19	0.24	2.02	2.59	1.16	0.28	0.25	0.05
hypoxanthine (tail)	ME806084	0.30	0.41	2.25	2.27	1.38	0.12	0.30	0.02
OPHTHALMATE	ME806185	0.02	0.02	0.18	3.65	1.89	0.08	0.23	0.00
MW_202.04557@RT_8.570	ME806110	0.22	0.71	0.01	1.88	2.72	0.99	1.03	0.00
propionylcarnitine	ME806208	0.41	0.57	0.79	1.41	3.11	0.70	0.73	0.00
4-GUANIDINOBUTANOATE	ME805993	0.52	0.53	0.45	1.89	2.90	0.39	0.63	0.08
allysine	ME806007	0.58	0.63	0.45	2.05	2.83	0.33	0.34	0.07
beta-alanine	ME806015	0.53	0.54	0.49	1.88	3.04	0.42	0.33	0.10
Heterodendrin	ME806077	0.20	0.25	0.53	1.82	2.97	0.96	0.58	0.00
N-ACETYLASPARAGINE	ME806171	0.40	0.39	0.39	1.85	2.79	0.79	0.72	0.05
N-ALPHA-ACETYLLYSINE	ME806174	0.75	0.97	0.30	1.38	2.29	0.88	1.36	0.10
Pipecolate	ME806195	0.87	0.98	0.59	1.52	2.28	0.69	0.92	0.02
1-(sn-glycero-3-phospho)-1D-myo-inositol	ME805978	0.97	0.87	0.53	2.07	2.70	0.08	0.10	0.01
Thiamine	ME806221	0.87	0.98	0.34	1.98	2.64	0.28	0.38	0.00
MW_309.10593@RT_8.703	ME806135	0.60	0.60	0.92	1.93	2.22	0.23	0.83	0.09
Riboflavin	ME806210	0.58	0.72	0.58	1.96	2.47	0.16	0.93	0.07
dimethylglicine	ME806046	0.69	0.88	0.38	1.98	1.97	0.65	0.85	0.11
p-aminobenzoate	ME806187	0.86	1.07	0.39	1.97	2.25	0.41	0.62	0.00
GUANIDINOSUCCINATE	ME806071	0.34	0.34	0.04	1.60	4.27	0.46	0.39	0.00
N-acetylglutamine	ME806172	0.00	0.01	0.14	2.15	4.08	0.33	0.25	0.00
ADENOSINE DIPHOSPHATE RIBOSE	ME806002	0.00	0.00	0.06	2.35	4.14	0.15	0.11	0.00
FAD	ME806051	0.04	0.04	0.14	2.44	4.04	0.02	0.02	0.01
MW_275.13687@RT_8.237	ME806129	0.39	0.43	0.39	2.10	3.67	0.07	0.08	0.00
NAD+	ME806177	0.10	0.11	0.88	2.01	3.75	0.08	0.12	0.02
saccharopine	ME806214	0.15	0.14	0.68	2.13	3.68	0.10	0.12	0.00
GSH	ME806068	0.00	0.00	0.61	2.48	3.62	0.00	0.00	0.00
Coenzyme A	ME806026	0.06	0.06	0.34	2.42	3.79	0.06	0.05	0.01
S-Adenosyl-L-Homocysteine	ME806212	0.01	0.02	0.36	2.57	3.59	0.07	0.05	0.00
inosine	ME806087	0.04	0.06	0.19	2.57	3.39	0.25	0.23	0.00
MW_245.17390@RT_13.879	ME806121	0.15	0.14	0.48	2.27	3.27	0.34	0.31	0.00
Glycerol 3-Phosphate	ME806062	0.19	0.25	0.17	2.11	3.69	0.34	0.37	0.00
cystathionine	ME806033	0.09	0.10	0.34	2.31	3.53	0.25	0.22	0.05
THIAMINE MONOPHOSPHATE	ME806222	0.10	0.13	0.35	2.18	3.57	0.28	0.42	0.01
UDP-GlcNAc/UDP-GalNAc	ME806230	0.01	0.01	1.47	2.36	2.86	0.05	0.02	0.00
UMP	ME806231	0.03	0.04	1.74	2.07	3.06	0.02	0.01	0.00
AMP	ME806008	0.02	0.03	1.40	2.14	3.24	0.08	0.02	0.00
GMP	ME806065	0.03	0.04	1.62	1.91	3.31	0.12	0.06	0.00
GSSG	ME806069	0.01	0.02	1.01	2.16	3.10	0.24	0.47	0.00
GUANOSINE DIPHOSPHATE MANNOSE	ME806075	0.08	0.08	1.00	2.36	3.05	0.11	0.12	0.04
niacinamide	ME806178	0.08	0.07	0.82	2.33	3.25	0.19	0.10	0.00
URIDINE DIPHOSPHATE GLUCURONIC ACID	ME806235	0.14	0.17	0.91	2.14	3.24	0.16	0.16	0.08
Acetyl CoA	ME805999	0.50	0.46	0.97	1.74	3.07	0.28	0.24	0.12
taurine	ME806220	0.19	0.31	1.08	2.00	2.78	0.43	0.41	0.00
xanthine	ME806238	0.08	0.09	0.15	2.23	2.90	0.44	1.21	0.04
XANTHOSINE	ME806239	0.10	0.11	0.09	2.46	3.12	0.40	0.59	0.01
Glycerophosphocholine	ME806063	0.23	0.27	1.00	2.42	2.15	0.41	0.37	0.07
guanine degenerate	ME806073	0.31	0.40	0.72	2.64	2.18	0.19	0.37	0.03
guanosine	ME806074	0.14	0.17	0.60	2.85	2.45	0.11	0.27	0.01
Glucose 6-phosphate	ME806059	0.08	0.06	0.69	2.42	2.73	0.39	0.47	0.02
Ribose-1/5-phosphate	ME806211	0.13	0.12	0.31	2.58	2.94	0.31	0.31	0.05
fructose 6-phosphate/galactose-1-phosphate	ME806055	0.06	0.06	0.55	2.65	2.85	0.20	0.30	0.03
MW_297.18000@RT_12.509	ME806132	0.03	0.06	0.58	2.64	3.04	0.17	0.12	0.02
MW_184.04857@RT_2.279	ME806106	1.37	0.35	1.67	1.37	0.06	1.83	1.09	0.01
(S)-ACPA (tail) (RT = 2.965)	ME805977	0.85	0.27	1.71	1.43	0.25	1.78	1.29	0.11
MW_700.55045@RT_1.778	ME806160	0.20	0.16	1.78	1.03	0.51	2.12	2.18	0.08
Palmitoyl sphingomyelin	ME806188	0.27	0.30	1.52	1.02	1.03	1.97	1.98	0.01
Benzoxazolone	ME806014	1.06	1.14	0.56	0.94	2.29	1.37	0.87	0.03
Nudifloramide	ME806182	0.91	0.94	0.62	0.84	2.45	1.50	0.96	0.06
1-carbapenem-3-carboxylic acid	ME805980	0.66	0.93	0.67	0.89	2.02	1.86	1.22	0.03
3-ureidopropionate	ME805991	0.80	0.93	0.22	0.89	2.27	1.94	1.22	0.00
Muscimol	ME806099	0.77	0.86	0.22	0.85	2.14	2.07	1.35	0.05
sarcosine	ME806215	0.74	0.90	0.22	0.83	2.04	2.14	1.37	0.07
3-phosphoglycerate	ME805990	0.06	0.06	0.97	1.62	1.73	2.07	0.89	0.03
phosphoenolpyruvate	ME806194	0.16	0.14	0.69	1.46	1.64	2.45	0.95	0.07
1-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine	ME805979	0.63	0.84	0.51	0.92	1.06	1.93	2.58	0.02
MW_202.04557@RT_8.570 (2)	ME806111	0.06	0.35	0.02	1.48	1.90	1.55	2.60	0.00
Nitrosoguvacoline	ME806179	0.29	0.26	0.73	1.13	1.34	2.08	2.02	0.16
MFCD00135289	ME806098	0.10	0.15	0.96	1.20	1.78	1.82	1.92	0.00
PC	ME806190	0.09	0.10	1.16	0.99	1.48	2.02	2.25	0.00
4-PYRIDOXATE	ME805996	0.23	0.58	0.23	1.21	1.64	2.25	1.84	0.09
MW_805.56206@RT_1.712	ME806163	0.10	0.09	0.44	1.02	2.07	2.30	2.00	0.00
cystine	ME806035	1.57	1.87	0.03	0.03	0.01	3.71	2.13	0.00
delta-guanidinovaleric acid	ME806041	1.97	2.16	0.21	0.22	0.18	2.16	2.43	0.08
4-Methyleneglutamine	ME805995	1.32	1.73	0.09	0.18	0.33	2.68	2.99	0.04
citrulline	ME806024	1.41	1.83	0.11	0.22	0.42	2.55	2.78	0.02
MFCD00036904	ME806097	0.08	0.11	0.13	0.74	1.44	2.28	3.78	0.00
MW_523.36435@RT_1.856	ME806156	0.01	0.02	0.10	0.68	1.53	2.27	3.98	0.00
Cysteine-glutathione disulfide	ME806034	0.59	0.80	0.73	0.47	0.17	3.17	2.88	0.00
MW_567.33266@RT_1.833	ME806158	0.01	0.03	0.03	1.01	1.25	3.46	2.27	0.00
MW_626.52723@RT_1.655	ME806159	0.20	0.24	0.48	0.51	0.66	3.30	3.19	0.04
MW_903.58360@RT_1.653	ME806167	0.11	0.16	0.47	0.54	0.81	3.35	3.05	0.03
MW_519.33305@RT_1.876	ME806155	0.05	0.09	0.11	0.67	0.92	3.44	3.17	0.00
MW_543.33299@RT_1.865	ME806157	0.10	0.15	0.07	0.82	1.00	3.40	2.78	0.00
BZ7175000	ME806018	1.35	0.25	0.70	0.52	0.15	3.64	1.63	0.06
Prolylleucine	ME806207	0.29	0.34	0.22	0.28	0.40	4.83	2.27	0.00
MW_377.13226@RT_7.361	ME806145	3.03	4.22	0.12	0.10	0.07	1.17	1.34	0.04
Methionine sulfoxide	ME806095	2.73	4.53	0.20	0.18	0.02	0.93	1.61	0.01
4-(Methylthio)-2-oxobutyric acid	ME805992	2.63	4.43	0.16	0.15	0.01	1.03	1.82	0.01
Dehydroglycine	ME806040	2.67	4.36	0.17	0.17	0.09	0.97	1.69	0.04
MW_486.17144@RT_6.476	ME806154	3.57	3.47	1.50	0.47	0.03	0.19	0.09	0.00
2-formylphenylformamide	ME805985	2.69	5.41	0.42	0.44	0.52	0.30	0.37	0.02
MW_449.13409@RT_4.634	ME806151	2.53	5.03	1.15	0.50	0.13	0.26	0.32	0.04
Dehydrocycloguanandin	ME806039	3.62	5.98	0.05	0.08	0.07	0.14	0.74	0.02
MW_311.96380@RT_12.332	ME806136	4.38	5.20	0.08	0.08	0.11	0.14	0.26	0.03
Formiminoglutamic Acid	ME806053	4.64	3.71	0.35	0.18	0.05	0.31	0.41	0.01
GNK	ME806066	3.75	5.19	0.33	0.16	0.04	0.26	0.53	0.03
citrate	ME806023	4.06	4.89	0.33	0.17	0.15	0.24	0.25	0.02
MW_406.02362@RT_12.452	ME806148	3.99	4.75	0.27	0.13	0.10	0.27	0.60	0.03
epsilon-(gamma-Glutamyl)-lysine (RT = 11.658)	ME806050	3.87	4.44	0.40	0.20	0.04	0.45	0.57	0.00
MW_234.08527@RT_10.478	ME806119	3.86	4.63	0.38	0.26	0.10	0.23	0.51	0.02
MW_303.15422@RT_11.640	ME806134	3.77	4.58	0.53	0.24	0.02	0.34	0.49	0.00
MW_404.15447@RT_11.236	ME806147	3.25	4.77	0.56	0.43	0.15	0.27	0.48	0.03
dihydroanticapsin	ME806044	3.59	4.61	0.84	0.38	0.12	0.11	0.16	0.02
MW_249.03075@RT_12.337	ME806124	3.69	5.02	0.70	0.26	0.19	0.08	0.09	0.03
Fructoselysine	ME806056	3.57	4.01	0.74	0.47	0.20	0.11	0.35	0.12
PANTOTHENATE	ME806189	3.46	4.23	1.08	0.48	0.13	0.12	0.14	0.00
MW_248.10026@RT_9.781	ME806122	3.52	3.65	0.14	0.39	0.29	0.61	0.87	0.10
coformycin	ME806027	3.47	4.63	0.19	0.23	0.18	0.46	0.88	0.04
MW_203.12715@RT_9.480	ME806112	3.44	4.21	0.38	0.26	0.20	0.70	0.64	0.02
MW_255.02291@RT_12.423	ME806125	3.47	4.13	0.48	0.36	0.33	0.35	0.61	0.03
MW_273.03346@RT_12.439	ME806128	3.46	4.27	0.53	0.36	0.32	0.28	0.58	0.01
cytidine	ME806036	2.25	2.29	2.02	0.96	0.30	0.46	0.31	0.00
argininosuccinate	ME806010	2.21	2.61	1.88	1.12	0.18	0.33	0.30	0.00
MW_202.04554@RT_10.888	ME806109	2.35	2.65	1.78	0.97	0.22	0.45	0.31	0.01
3-Methylinosine	ME805989	1.91	3.04	1.44	1.02	0.60	0.33	0.38	0.13
7-Methylguanosine	ME805998	2.10	3.00	1.21	0.87	0.68	0.50	0.58	0.04
"2,4-Diacetamido-2,4,6-trideoxy-alpha-D-mannopyranose (RT = 8.138)"	ME805984	2.67	2.94	0.95	0.91	0.63	0.34	0.46	0.02
MW_350.15117@RT_8.553	ME806140	2.63	3.02	1.09	0.79	0.48	0.56	0.34	0.08
"N,N-DIMETHYLARGININE"	ME806169	2.61	3.13	1.05	0.85	0.39	0.50	0.50	0.00
cytosine	ME806037	2.54	2.51	1.57	0.75	0.26	0.59	0.46	0.13
MW_174.13701@RT_11.699	ME806105	2.65	2.81	1.32	0.67	0.25	0.74	0.59	0.00
Ala-Leu (2)	ME806005	2.34	3.42	0.52	0.64	0.24	0.82	1.46	0.02
homocitrulline (tail)	ME806082	2.66	3.58	0.41	0.52	0.53	0.75	1.08	0.00
Golotimod	ME806067	2.54	4.08	1.07	0.56	0.13	0.52	0.71	0.02
Aspartame	ME806012	3.21	3.73	0.89	0.52	0.18	0.35	0.60	0.01
gamma-Glu-gln	ME806057	3.00	3.82	0.82	0.45	0.12	0.44	1.00	0.00
"DL-2,6-Diaminopimelic acid"	ME806047	2.88	3.57	0.82	0.64	0.44	0.47	0.53	0.00
"N,N-dimethylarginine degenerate"	ME806170	2.98	3.37	0.67	0.57	0.25	0.68	0.84	0.01
fagomine	ME806052	2.42	3.56	0.47	0.66	0.99	0.52	0.69	0.05
histidine (tail)	ME806079	1.98	3.35	0.47	0.88	1.06	0.71	0.63	0.04
Ala-Leu	ME806004	2.73	2.57	0.84	0.76	1.10	0.41	0.43	0.01
MW_260.13721@RT_6.892	ME806127	2.87	3.21	0.62	0.82	0.69	0.36	0.50	0.02
Pergolide	ME806191	3.16	3.06	0.29	0.77	0.79	0.37	0.61	0.03
MW_248.13723@RT_10.001	ME806123	3.10	2.36	0.39	0.34	0.22	1.39	1.20	0.15
MW_368.34420@RT_1.924	ME806143	3.08	2.68	0.40	0.36	0.48	0.99	1.25	0.05
N~2~-Acetyl-L-ornithine	ME806183	2.38	2.76	0.84	0.67	0.62	0.84	0.97	0.01
Acetylarginine	ME806000	2.44	2.78	0.87	0.56	0.39	0.97	1.13	0.06
MW_220.14238@RT_11.770	ME806117	2.39	2.96	0.63	0.60	0.40	1.05	1.16	0.05
MW_214.00900@RT_12.421	ME806114	2.28	2.82	1.02	0.42	0.26	1.10	1.45	0.01
Homo-L-arginine	ME806080	2.15	2.58	0.85	0.61	0.47	1.22	1.22	0.00
Pro-Hyp	ME806201	2.30	2.59	1.09	0.70	0.25	0.95	1.14	0.02
3-METHYL-L-HISTIDINE	ME805988	2.24	3.24	0.88	0.73	0.41	0.78	0.83	0.09
Tilarginine	ME806226	1.99	2.71	1.02	0.90	0.59	0.82	0.87	0.00
Lysine lactam	ME806093	2.31	2.30	0.67	0.75	0.79	0.90	0.98	0.14
epsilon-(gamma-Glutamyl)-lysine (RT = 10.667)	ME806049	2.61	2.59	0.56	1.11	0.66	0.55	0.62	0.00
lysine	ME806092	2.68	2.72	0.54	0.73	0.76	0.76	0.83	0.00
HC blue 2	ME806076	2.65	2.87	0.48	0.65	0.62	0.85	0.84	0.13
Pipecolinic acid degenerate	ME806196	2.78	2.83	0.47	0.63	0.65	0.83	0.92	0.01
YV8195000	ME806240	2.70	2.77	0.43	0.60	0.64	0.93	1.05	0.03
MW_259.16439@RT_13.838	ME806126	2.89	2.45	0.36	0.55	0.21	0.59	2.24	0.01
MW_168.05122@RT_9.206	ME806104	1.96	2.78	0.47	0.62	0.41	1.26	1.74	0.05
DEOXYCARNITINE degenerate	ME806043	2.05	2.34	0.30	0.49	0.42	1.66	1.89	0.05
MW_357.19331@RT_14.070	ME806141	2.30	2.14	0.62	0.53	0.45	1.48	1.50	0.00
MW_385.19950@RT_14.698	ME806146	1.96	3.25	0.63	0.32	0.03	1.66	1.81	0.01
MW_453.12750@RT_4.804	ME806152	1.74	3.16	0.16	0.15	0.12	2.47	1.88	0.07
MW_318.10622@RT_11.197	ME806137	1.90	2.01	0.67	1.35	1.84	0.21	0.21	0.04
Succinyladenosine	ME806219	2.18	2.33	0.86	1.15	1.43	0.33	0.19	0.01
carnitine	ME806020	1.63	1.79	1.06	1.25	1.59	0.52	0.41	0.00
MW_374.10730@RT_11.416	ME806144	1.43	1.59	1.48	1.36	1.89	0.16	0.11	0.01
Prolylglycine	ME806206	2.26	2.16	1.31	0.94	0.51	0.37	0.71	0.31
betaine	ME806016	1.82	2.10	1.08	1.33	0.92	0.44	0.68	0.01
asparagine	ME806011	1.67	2.70	1.32	1.23	0.68	0.46	0.57	0.02
serine	ME806216	1.53	2.51	1.39	1.48	0.67	0.28	0.52	0.02
1-Methylguanine	ME805983	1.78	2.43	1.32	1.00	0.73	0.50	0.57	0.31
proline	ME806203	1.94	2.39	1.34	1.15	0.85	0.38	0.52	0.01
MW_296.04943@RT_12.425	ME806131	1.55	1.84	1.22	0.90	0.82	0.87	1.47	0.01
creatine	ME806030	1.80	1.94	0.95	0.69	0.72	1.46	1.24	0.00
N6-METHYLLYSINE	ME806176	1.69	2.17	0.86	0.75	0.66	1.36	1.41	0.00
creatinine	ME806031	1.72	2.13	0.58	0.87	0.68	1.15	1.40	0.23
MW_190.13186@RT_12.889	ME806107	1.59	2.46	0.90	0.88	0.60	1.17	1.31	0.00
dimethylformamide	ME806045	1.59	2.15	0.85	0.91	0.76	1.14	1.19	0.13
vinylglycine	ME806237	1.68	2.24	0.84	0.86	0.74	1.11	1.17	0.14
methionine-13C5-15N	ME806096	1.21	2.40	1.27	1.02	1.05	1.09	0.58	0.03
MW_285.09603@RT_3.493	ME806130	1.30	2.16	1.24	1.13	1.03	0.67	0.72	0.24
leucine	ME806091	1.48	2.21	0.71	1.44	1.36	0.47	0.67	0.01
Piperidine	ME806197	1.63	2.44	0.75	1.24	1.18	0.56	0.78	0.01
MW_102.04705@RT_4.869	ME806100	1.62	2.43	0.70	1.04	1.00	0.84	1.11	0.02
3-Buten-1-amine	ME805987	1.64	2.07	0.79	1.05	1.09	0.87	0.95	0.11
MW_119.07362@RT_4.865	ME806102	1.56	2.16	0.79	1.13	1.07	0.83	1.04	0.01
afegostat	ME806003	1.82	2.05	0.92	1.08	0.94	0.85	0.89	0.01
threonine	ME806223	1.65	2.20	0.95	1.01	0.86	0.94	1.01	0.06
1-METHYL-L-HISTIDINE	ME805981	1.70	2.24	1.03	0.96	1.07	0.82	0.77	0.06
1-METHYLADENOSINE	ME805982	1.70	2.20	0.97	0.92	1.01	0.87	0.92	0.10
"N,N,N-TRIMETHYLLYSINE"	ME806168	1.72	2.19	0.97	0.96	1.01	0.92	0.92	0.00
Piracetam	ME806198	1.93	2.12	0.59	1.12	1.02	0.49	1.13	0.17
DL-Stachydrine	ME806048	1.70	2.19	0.65	1.38	0.77	0.70	1.07	0.01
lentiginosine	ME806090	1.70	2.10	0.67	1.40	0.88	0.69	0.93	0.02
MW_218.16307@RT_5.460	ME806116	1.27	1.71	0.27	1.34	2.06	0.89	0.65	0.01
ornithine	ME806186	0.93	1.51	0.60	1.21	1.42	1.16	1.55	0.01
Prolinamide	ME806202	0.87	1.29	0.62	1.24	1.52	1.11	1.45	0.14
Proline degenerate	ME806204	0.87	1.38	0.67	1.28	1.51	1.07	1.41	0.07
Imidazoleacetic acid riboside	ME806085	1.58	1.97	0.35	1.03	1.31	1.20	1.15	0.02
isoleucine	ME806088	1.24	1.89	0.57	1.02	1.27	1.13	1.50	0.03
NPYR	ME806181	1.38	1.65	0.59	1.00	1.09	1.22	1.23	0.28
Pregabalin	ME806200	1.52	1.70	1.16	1.08	1.25	0.90	0.77	0.00
Pyroglutamic Acid	ME806209	1.27	1.65	0.74	1.16	1.25	1.13	1.14	0.04
glutamine	ME806061	1.21	1.56	0.77	1.28	1.41	0.99	0.98	0.03
MW_83.03722@RT_9.319	ME806165	1.20	1.53	0.65	1.26	1.41	1.09	1.08	0.04
phenylalanine	ME806192	1.40	2.07	0.88	1.27	1.22	0.71	0.88	0.01
valine	ME806236	1.46	1.79	0.89	1.22	1.18	0.82	0.88	0.10
tyrosine	ME806229	1.17	1.73	0.88	1.53	1.39	0.59	0.86	0.00
4-Hydroxybenzaldehyde	ME805994	1.24	1.86	0.77	1.38	1.23	0.74	1.11	0.01
Coumarone	ME806029	1.24	1.85	0.76	1.37	1.23	0.74	1.15	0.01
2-Hydroxycinnamic acid	ME805986	1.22	1.76	0.84	1.45	1.29	0.67	1.00	0.01
Coumarin	ME806028	1.17	1.78	0.81	1.41	1.27	0.74	1.09	0.01
N-Benzylformamide	ME806175	1.18	1.81	0.82	1.41	1.27	0.73	1.06	0.01
histidine	ME806078	0.94	1.61	0.56	1.74	2.00	0.47	0.56	0.02
MW_301.11732@RT_5.003	ME806133	0.75	1.48	1.09	1.70	1.69	0.51	0.68	0.01
MW_204.06103@RT_8.342	ME806113	0.93	1.26	1.00	1.71	1.10	1.00	0.82	0.01
alanine	ME806006	1.20	1.32	1.03	1.41	1.66	0.70	0.70	0.01
N-acetyllysine	ME806173	1.09	1.11	0.73	1.38	1.67	0.94	1.03	0.06
"(2S,3Z,5S)-3-(2-Aminoethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (RT = 2.169)"	ME805975	1.38	0.64	1.04	0.81	0.51	2.14	1.55	0.18
MW_141.93145@RT_12.240	ME806103	1.11	1.38	0.55	0.44	0.65	2.58	2.00	0.15
MW_467.30117@RT_1.989	ME806153	1.38	1.76	0.66	0.69	0.70	1.65	1.97	0.07
trans-3-Indoleacrylic acid	ME806227	0.92	1.66	0.71	0.95	0.87	1.59	2.00	0.00
tryptophan	ME806228	0.92	1.66	0.80	1.10	1.01	1.35	1.70	0.00
MW_420.30988@RT_1.761	ME806149	1.14	1.26	0.77	0.86	1.13	1.85	1.21	0.18
Creatinine degenerate	ME806032	1.23	1.35	0.88	0.78	0.95	1.60	1.54	0.21
guanidinoacetate	ME806070	0.96	1.29	0.87	0.85	1.17	1.79	1.58	0.00
Proline degenerate (2)	ME806205	1.10	1.55	1.07	0.94	0.78	1.28	1.47	0.30
streptidine	ME806218	1.36	1.64	1.32	0.68	0.82	1.55	1.35	0.00
acetylcarnitine	ME806001	0.78	0.93	1.58	1.04	1.22	1.48	1.16	0.00
Thymine	ME806225	1.29	0.63	1.44	1.03	1.47	1.12	0.81	0.16
dCytidine	ME806038	1.23	1.57	1.86	0.79	0.39	1.29	1.45	0.07
Pirbuterol	ME806199	1.29	1.23	1.63	0.94	0.69	1.30	0.97	0.23
(S)-ACPA (tail) (RT = 2.367)	ME805976	1.10	1.16	1.45	1.12	0.61	1.41	0.88	0.35
MW_234.15798@RT_5.951	ME806120	1.46	1.78	0.97	2.30	0.84	0.05	0.15	0.00
kynurenine	ME806089	1.40	3.09	1.97	1.23	0.14	0.39	0.59	0.02
MW_216.06114@RT_6.638	ME806115	1.41	2.24	2.10	1.37	0.83	0.15	0.18	0.03

Factors:

F1	Sample source:embryonic CSF \| Maternal Treatment (injection):PolyIC \| Developmental Timepoint:E12.5 \| Collection Time:3 Hrs
F2	Sample source:embryonic CSF \| Maternal Treatment (injection):saline \| Developmental Timepoint:E12.5 \| Collection Time:3 Hrs
F3	Sample source:Embyronic Liver \| Maternal Treatment (injection):PolyIC \| Developmental Timepoint:E12.5 \| Collection Time:3 Hrs
F4	Sample source:Embyronic Liver \| Maternal Treatment (injection):saline \| Developmental Timepoint:E12.5 \| Collection Time:3 Hrs
F5	Sample source:Maternal Liver \| Maternal Treatment (injection):PolyIC \| Developmental Timepoint:E12.5 \| Collection Time:3 Hrs
F6	Sample source:maternal serum \| Maternal Treatment (injection):PolyIC \| Developmental Timepoint:E12.5 \| Collection Time:3 Hrs
F7	Sample source:maternal serum \| Maternal Treatment (injection):saline \| Developmental Timepoint:E12.5 \| Collection Time:3 Hrs
F8	Sample source:mock \| Maternal Treatment (injection):N/A \| Developmental Timepoint:N/A \| Collection Time:N/A

Data matrix