Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST004243)

Reversed phase NEGATIVE ION MODE (Analysis AN007064)

Metabolite	Structure	F1	F2
CREATINE_1	ME1148578	0.98	1.02
BOC-L-Tyrosine_2	ME1148572	1.00	1.00
THYMINE	ME1148681	0.98	1.02
CITRATE_3	ME1148576	1.02	0.98
2-DEOXY-D-GLUCOSE_2	ME1148525	0.91	1.09
L-Phenylalanine-13C6	ME1148639	1.00	1.00
Monobenzyl phthalate (mBzP)	ME1148650	0.55	1.45
TAURINE	ME1148680	1.33	0.67
SUCCINATE_2	ME1148676	0.94	1.06
L-ASPARAGINE	ME1148627	1.15	0.85
D-SACCHARIC ACID	ME1148591	1.20	0.80
MEVALOLACTONE	ME1148648	0.92	1.08
Vanillin_2	ME1148687	1.46	0.54
L-GLUTAMIC ACID_3	ME1148633	1.21	0.79
HYDROXYPYRUVATE	ME1148618	1.11	0.89
3,4-DIHYDROXYBENZOATE	ME1148542	1.74	0.26
4-ACETAMIDOBUTANOATE	ME1148543	0.95	1.05
Itaconate	ME1148624	1.38	0.62
5-OXO-D-PROLINE	ME1148553	0.91	1.09
ARABINOSE_1	ME1148564	0.95	1.05
SARCOSINE/BETA-ALANINE_1	ME1148673	0.80	1.20
L-SERINE	ME1148640	1.09	0.91
ISOCITRIC ACID	ME1148623	1.24	0.76
INDOLE-3-ETHANOL	ME1148621	0.99	1.01
D-TRYPTOPHAN	ME1148593	0.98	1.02
HOMOSERINE	ME1148617	1.03	0.97
3-(4-HYDROXYPHENYL)LACTATE	ME1148537	0.96	1.04
D-(-)-3-PHOSPHOGLYCERIC ACID_2	ME1148583	1.24	0.76
L-TYROSINE	ME1148641	1.01	0.99
Isocitrate	ME1148622	1.38	0.62
HIPPURATE_1	ME1148614	0.97	1.03
ALPHA-D-GALACTOSE 1-PHOSPHATE	ME1148561	1.41	0.59
CYTIDINE 5^-DIPHOSPHATE	ME1148581	1.33	0.67
L-VALINE_1	ME1148643	0.98	1.02
N-ACETYLNEURAMINATE	ME1148659	0.99	1.01
4-HYDROXYBENZALDEHYDE	ME1148547	1.07	0.93
D-SORBITOL	ME1148592	1.05	0.95
GLUTARIC ACID	ME1148608	0.89	1.11
(R,R)-TARTARIC ACID	ME1148516	1.16	0.84
GLYCOLATE	ME1148612	1.02	0.98
GLYCEROL 2-PHOSPHATE/SN-GLYCEROL 3-PHOSPHATE	ME1148610	0.88	1.12
2-AMINOETHYL DIHYDROGEN PHOSPHATE_2	ME1148522	1.04	0.96
ALLANTOIN	ME1148558	0.97	1.03
4-HYDROXY-L-PROLINE	ME1148546	0.96	1.04
Proline	ME1148668	1.31	0.69
2-hydroxyglutarate	ME1148529	1.02	0.98
PROPYNOATE	ME1148669	1.12	0.88
3-(2-HYDROXYPHENYL)PROPANOATE_2	ME1148536	0.97	1.03
SARCOSINE/BETA-ALANINE_2	ME1148674	0.88	1.12
L-VALINE_2	ME1148644	1.19	0.81
N-BOC-L-tert-Leucine_1	ME1148662	0.99	1.01
D-ORNITHINE	ME1148589	0.95	1.05
NICOTINATE	ME1148667	1.02	0.98
N-BOC-L-Tryptophan_1	ME1148664	1.01	0.99
4-HYDROXYPHENYLACETATE	ME1148548	1.65	0.35
N-ACETYL-L-ALANINE	ME1148653	1.03	0.97
SUCCINATE_1	ME1148675	0.95	1.05
(R)-MALATE_3	ME1148519	1.07	0.93
ALPHA-AMINOADIPATE_1	ME1148559	0.97	1.03
(R)-MALATE_1	ME1148517	1.21	0.79
HYPOTAURINE	ME1148619	0.50	1.50
D-GLUCURONIC ACID	ME1148588	0.98	1.02
FUMARATE_1	ME1148599	1.42	0.58
LEUCINE_1	ME1148645	0.99	1.01
2^,4^-DIHYDROXYACETOPHENONE	ME1148534	1.06	0.94
GLUCOSE/FRUCTOSE_1	ME1148601	1.16	0.84
FORMYL-L-METHIONYL PEPTIDE	ME1148598	1.34	0.66
ADENOSINE_1	ME1148556	0.74	1.26
4-oxoproline	ME1148550	1.00	1.00
ADENINE	ME1148555	0.93	1.07
ALPHA-KETOGLUTARIC ACID_1	ME1148562	0.84	1.16
N-BOC-L-Tryptophan_2	ME1148665	1.01	0.99
URACIL	ME1148683	0.97	1.03
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID_1	ME1148526	0.96	1.04
SUCCINATE_3	ME1148677	1.37	0.63
FUMARATE_2	ME1148600	1.08	0.92
L-ARABITOL	ME1148625	1.06	0.94
PYRUVATE	ME1148672	1.77	0.23
L-Cysteine-S-Sulfate	ME1148630	1.25	0.75
N-BOC-L-tert-Leucine_2	ME1148663	0.98	1.02
L-GLUTAMINE_2	ME1148635	1.05	0.95
L-CARNITINE_2	ME1148629	0.95	1.05
2-AMINOETHYL DIHYDROGEN PHOSPHATE_1	ME1148521	1.29	0.71
4-METHYL-2-OXO-PENTANOIC ACID	ME1148549	0.89	1.11
3-UREIDOPROPIONATE	ME1148541	0.75	1.25
SUCCINATE_4	ME1148678	0.94	1.06
N-ACETYL-D-GALACTOSAMINE	ME1148651	0.82	1.18
ARABINOSE_3	ME1148566	0.97	1.03
4-PYRIDOXATE	ME1148551	1.08	0.92
2-HYDROXYBUTYRIC ACID	ME1148528	0.97	1.03
3-HYDROXY-3-METHYLGLUTARATE_1	ME1148538	0.99	1.01
N-ACETYL-L-LEUCINE_1	ME1148656	0.93	1.07
6-PHOSPHOGLUCONIC ACID	ME1148554	1.34	0.66
ALPHA-KETOGLUTARIC ACID_2	ME1148563	0.88	1.12
DIHYDROXYACETONE PHOSPHATE	ME1148595	1.07	0.93
Sulfoacetaldehyde	ME1148679	0.86	1.14
(S)-LACTATE	ME1148520	0.97	1.03
UROCANATE	ME1148685	1.11	0.89
PYRIDINE-2,3-DICARBOXYLATE	ME1148670	0.96	1.04
2-Hydroxyhippuric acid	ME1148530	0.93	1.07
2-HYDROXYPHENYLACETIC ACID_1	ME1148531	1.01	0.99
N6-(DELTA2-ISOPENTENYL)-ADENINE	ME1148666	0.94	1.06
L-PHENYLALANINE	ME1148638	1.01	0.99
2-DEOXY-D-GLUCOSE_1	ME1148524	0.93	1.07
HYPOXANTHINE	ME1148620	0.88	1.12
N-ACETYL-L-ASPARTIC ACID	ME1148655	1.21	0.79
Mannitol/Sorbitol	ME1148647	1.06	0.94
N-Acetyl-L-aspartate	ME1148654	1.20	0.80
HOMOCYSTEINE	ME1148616	0.97	1.03
CITRAMALATE	ME1148573	1.04	0.96
ADENOSINE_2	ME1148557	0.72	1.28
BETAINE_2	ME1148570	0.55	1.45
PYRIDOXAMINE	ME1148671	1.19	0.81
N-BOC-L-Aspartic Acid_1	ME1148660	0.98	1.02
L-METHIONINE	ME1148637	1.06	0.94
CITRULLINE	ME1148577	0.99	1.01
L-GLUTAMIC ACID_2	ME1148632	1.19	0.81
3-SULFINO-L-ALANINE	ME1148540	1.10	0.90
ALPHA-AMINOADIPATE_2	ME1148560	0.99	1.01
TRANS-ACONITATE	ME1148682	0.98	1.02
4-Hydroxy-2-oxoglutarate	ME1148544	1.37	0.63
ARABINOSE_2	ME1148565	1.00	1.00
D-PANTOTHENIC ACID	ME1148590	0.88	1.12
N-ACETYL-L-LEUCINE_2	ME1148657	0.95	1.05
D-ASPARTATE	ME1148586	1.22	0.78
D-GLUCONATE	ME1148587	1.03	0.97
XANTHOSINE_1	ME1148689	1.19	0.81
N-ACETYL-DL-METHIONINE	ME1148652	1.27	0.73
XANTHINE	ME1148688	0.98	1.02
ERYTHRITOL	ME1148597	0.97	1.03
L-ARGININE	ME1148626	1.26	0.74
D-(-)-3-PHOSPHOGLYCERIC ACID_1	ME1148582	1.14	0.86
CITRATE_2	ME1148575	1.00	1.00
ASCORBATE	ME1148568	1.09	0.91
3-HYDROXY-3-METHYLGLUTARATE_2	ME1148539	0.94	1.06
5-hydroxyindoleacetic acid	ME1148552	0.96	1.04
L-Tyrosine-13C6	ME1148642	0.99	1.01
HIPPURATE_2	ME1148615	0.98	1.02
D-(+)-GALACTOSAMINE	ME1148585	1.36	0.64
CYS-GLY	ME1148580	1.28	0.72
DEHYDROASCORBATE	ME1148594	1.44	0.56
GLUCOSE/FRUCTOSE_4	ME1148604	1.00	1.00
2,3-dihydroxyisovalerate	ME1148533	1.06	0.94
XANTHOSINE_2	ME1148690	0.93	1.07
URIDINE	ME1148684	0.88	1.12
L-GLUTAMINE_1	ME1148634	1.14	0.86
N-ACETYLGLYCINE	ME1148658	0.97	1.03
L-HISTIDINE	ME1148636	1.14	0.86
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID	ME1148545	1.00	1.00
(R)-MALATE_2	ME1148518	1.15	0.85
CITRATE_1	ME1148574	0.99	1.01
EDTA	ME1148596	1.23	0.77
N-BOC-L-Aspartic Acid_2	ME1148661	0.98	1.02
MONO-ETHYL MALONATE	ME1148649	1.13	0.87
GLUCOSE/FRUCTOSE_3	ME1148603	1.01	0.99
L-CARNITINE_1	ME1148628	1.12	0.88
LEUCINE_2	ME1148646	0.99	1.01
GLUCOSE/FRUCTOSE_2	ME1148602	1.09	0.91
GLUCOSE/FRUCTOSE_5	ME1148605	1.13	0.87
2-deoxy-D-galactose (fructose/glucose)	ME1148523	0.92	1.08
ARABINOSE_4	ME1148567	1.12	0.88
GLUTARATE_2	ME1148607	1.03	0.97
2-HYDROXYPHENYLACETIC ACID_2	ME1148532	0.97	1.03
3-(2-HYDROXYPHENYL)PROPANOATE_1	ME1148535	1.77	0.23
CREATINE_2	ME1148579	0.88	1.12
D-(+)-CELLOBIOSE	ME1148584	1.44	0.56
GLYOXYLIC ACID	ME1148613	0.96	1.04
BOC-L-Tyrosine_1	ME1148571	1.00	1.00
BETAINE_1	ME1148569	0.58	1.42
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID_2	ME1148527	0.97	1.03
L-GLUTAMIC ACID_1	ME1148631	1.20	0.80
GLYCOLALDEHYDE DIMER	ME1148611	1.02	0.98
GLUTARATE_1	ME1148606	1.02	0.98
GLYCERALDEHYDE	ME1148609	0.97	1.03
Vanillin_1	ME1148686	1.31	0.69

Factors:

F1	Sample source:blood Tfh cells \| Group:HC
F2	Sample source:blood Tfh cells \| Group:SLE

Data matrix