Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST004243)

Reversed phase POSITIVE ION MODE (Analysis AN007063)

Metabolite	Structure	F1	F2
HISTAMINE	ME1148437	1.49	0.51
7-Ketochenodeoxycholic acid	ME1148390	1.54	0.46
D-GLUCONATE	ME1148424	1.55	0.45
PHOSPHOCHOLINE	ME1148494	1.34	0.66
3-METHYLHISTAMINE	ME1148376	1.41	0.59
PUTRESCINE	ME1148497	1.42	0.58
UROCANATE_2	ME1148513	1.27	0.73
L-ARGININE	ME1148447	1.28	0.72
PEG n5	ME1148492	1.29	0.71
UROCANATE_3	ME1148514	1.23	0.77
ADENINE_136.0614_1.64	ME1148393	1.22	0.78
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE_4	ME1148401	1.22	0.78
UROCANATE_4	ME1148515	1.24	0.76
NICOTINAMIDE	ME1148488	1.26	0.74
TAURINE	ME1148502	1.25	0.75
L-GLUTAMIC ACID_2	ME1148453	1.19	0.81
2-Methylbutyroylcarnitine_3	ME1148372	1.20	0.80
ADENINE_136.0616_1.49	ME1148394	1.20	0.80
L-HISTIDINE_1	ME1148455	1.15	0.85
UROCANATE_1	ME1148512	1.16	0.84
1-AMINOCYCLOPROPANE-1-CARBOXYLATE	ME1148362	1.17	0.83
L-ASPARAGINE_2	ME1148449	1.17	0.83
L-ORNITHINE_2	ME1148464	1.09	0.91
L-SERINE_2	ME1148474	1.08	0.92
Triethanolamine	ME1148508	1.08	0.92
L-ASPARAGINE_1	ME1148448	1.13	0.87
Glycerophosphocholine	ME1148433	1.13	0.87
ASPARTATE	ME1148404	1.13	0.87
CYTOSINE	ME1148423	1.13	0.87
L-CARNITINE_1	ME1148451	1.11	0.89
L-HISTIDINE_2	ME1148456	1.11	0.89
Hexanoylcarnitine_1	ME1148435	0.82	1.18
TMAO_1	ME1148505	0.82	1.18
4-HYDROXY-L-PROLINE_2	ME1148381	0.85	1.15
6C-SUGAR ALCOHOL	ME1148389	0.84	1.16
URIDINE	ME1148511	0.86	1.14
ALANINE/SARCOSINE_1	ME1148395	0.88	1.12
ALDO/KETO-HEXOSE	ME1148397	0.87	1.13
L-ORNITHINE_4	ME1148466	0.87	1.13
6-DEOXY-L-GALACTOSE_1	ME1148387	1.06	0.94
L-PROLINE_2	ME1148472	1.07	0.93
Octanoyl-L-carnitine	ME1148490	1.05	0.95
L-PROLINE_1	ME1148471	1.05	0.95
L-LYSINE_4	ME1148461	1.05	0.95
GLYCEROL_2	ME1148432	1.05	0.95
GLYCEROL_1	ME1148431	1.05	0.95
GLUTARATE	ME1148430	1.05	0.95
Citrate source fragment (+H and + NH3)	ME1148412	1.05	0.95
3-METHYGLUTARIC ACID	ME1148375	1.05	0.95
Citrate+NH3	ME1148415	1.05	0.95
N-BOC-L-Tryptophan	ME1148486	1.04	0.96
L-GLUTAMIC ACID_1	ME1148452	1.04	0.96
BOC-D-Phenylalanine	ME1148405	1.04	0.96
ISOCITRIC ACID	ME1148442	1.04	0.96
Propanoylcarnitine_2	ME1148496	1.03	0.97
Propanoylcarnitine_1	ME1148495	1.03	0.97
L-SERINE_1	ME1148473	1.03	0.97
L-LYSINE_2	ME1148459	1.03	0.97
HOMOSERINE_2	ME1148439	1.03	0.97
Hexanoylcarnitine_2	ME1148436	1.03	0.97
CITRATE	ME1148414	1.03	0.97
5-OXO-D-PROLINE_1	ME1148385	1.03	0.97
CHOLINE	ME1148411	1.03	0.97
Methionine Sulfoxide	ME1148483	1.02	0.98
D-MANNOSAMINE	ME1148425	1.02	0.98
CITRULLINE_1	ME1148416	1.02	0.98
Citrate source fragment (+NH3)	ME1148413	1.02	0.98
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE_1	ME1148398	1.02	0.98
CAFFEINE	ME1148409	1.02	0.98
N-BOC-L-tert-Leucine	ME1148485	1.01	0.99
N-BOC-L-Aspartic Acid	ME1148484	1.01	0.99
L-ORNITHINE_3	ME1148465	1.01	0.99
L-ISOLEUCINE	ME1148457	1.01	0.99
LEUCINE	ME1148482	1.01	0.99
L-ASPARAGINE_3	ME1148450	1.01	0.99
ISOLEUCINE	ME1148444	1.01	0.99
BOC-L-Tyrosine	ME1148406	1.01	0.99
CITRULLINE_2	ME1148417	1.01	0.99
L-PHENYLALANINE_3	ME1148469	1.00	1.00
L-PHENYLALANINE_2	ME1148468	1.00	1.00
HOMOSERINE_1	ME1148438	1.00	1.00
L-LYSINE_3	ME1148460	1.00	1.00
THYMINE	ME1148504	0.97	1.03
Phenylalanine-HCOOH	ME1148493	0.97	1.03
L-PIPECOLIC ACID	ME1148470	0.97	1.03
L-ARABITOL	ME1148446	0.97	1.03
Isocytosine	ME1148443	0.97	1.03
CYTIDINE	ME1148422	0.97	1.03
CREATININE	ME1148421	0.97	1.03
Caffeine-D3	ME1148410	0.97	1.03
ALPHA-D-GLUCOSE	ME1148403	0.97	1.03
5-OXO-D-PROLINE_2	ME1148386	0.97	1.03
4-HYDROXY-L-PROLINE_1	ME1148380	0.97	1.03
3-HYDROXY-3-METHYLGLUTARATE	ME1148374	0.97	1.03
2,5-DIMETHYLPYRAZINE	ME1148373	0.97	1.03
2-AMINO-2-METHYLPROPANOATE	ME1148364	0.97	1.03
L-VALINE/5-AMINOPENTANOATE/L-NORVALINE	ME1148478	0.96	1.04
L-TRYPTOPHAN_1	ME1148475	0.96	1.04
L-LYSINE_1	ME1148458	0.96	1.04
ERYTHRITOL_2	ME1148428	0.96	1.04
Butanoylcarnitine_2	ME1148408	0.96	1.04
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE_2	ME1148399	0.96	1.04
ACETYLCHOLINE	ME1148391	0.96	1.04
2-Methylbutyroylcarnitine_2	ME1148371	0.96	1.04
2-Methylbutyroylcarnitine_1	ME1148370	0.96	1.04
2-DEOXY-D-GLUCOSE	ME1148365	0.96	1.04
2-hydroxyglutarate-water_2	ME1148367	0.96	1.04
TRANS-ACONITATE	ME1148507	0.98	1.02
Stachydrine	ME1148499	0.98	1.02
NORLEUCINE	ME1148489	0.98	1.02
HYPOXANTHINE	ME1148440	0.98	1.02
Formylkynurenine	ME1148429	0.98	1.02
2-hydroxyglutarate-water_1	ME1148366	0.98	1.02
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE_3	ME1148400	0.98	1.02
URACIL	ME1148509	0.99	1.01
THEOBROMINE	ME1148503	0.99	1.01
L-PHENYLALANINE_1	ME1148467	0.99	1.01
INDOLE-3-ACETALDEHYDE	ME1148441	0.99	1.01
DL-5-HYDROXYLYSINE	ME1148426	0.99	1.01
Acyl-Carnitine(5-OH)	ME1148392	0.99	1.01
ALANINE/SARCOSINE_2	ME1148396	0.99	1.01
SUCCINATE_2	ME1148501	0.95	1.05
L-TRYPTOPHAN_2	ME1148476	0.95	1.05
L-ORNITHINE_1	ME1148463	0.95	1.05
L-GLUTAMINE	ME1148454	0.95	1.05
Butanoylcarnitine_1	ME1148407	0.95	1.05
L-ANSERINE	ME1148445	0.95	1.05
PANTOTHENIC ACID	ME1148491	0.93	1.07
Leu Pro_3	ME1148481	0.93	1.07
CREATINE_3	ME1148420	0.93	1.07
CREATINE_2	ME1148419	0.93	1.07
2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOSYLAMINE	ME1148363	0.93	1.07
4-HYDROXY-L-PHENYLGLYCINE	ME1148379	0.93	1.07
SUCCINATE_1	ME1148500	0.94	1.06
PYRIDOXAL	ME1148498	0.94	1.06
L-LYSINE_5	ME1148462	0.94	1.06
Leu Pro_2	ME1148480	0.94	1.06
GLYCOLALDEHYDE DIMER	ME1148434	0.94	1.06
CREATINE_1	ME1148418	0.94	1.06
5-Hydroxymethyl-2-furaldehyde	ME1148384	0.94	1.06
4-HYDROXYBENZALDEHYDE	ME1148382	0.94	1.06
4-PYRIDOXATE	ME1148383	0.94	1.06
N-METHYL-L-HISTIDINE	ME1148487	0.89	1.11
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE_5	ME1148402	0.92	1.08
ERYTHRITOL_1	ME1148427	0.92	1.08
TMAO_2	ME1148506	0.90	1.10
2-hydroxyglutarate-water_3	ME1148368	0.90	1.10
2-Hydroxyphenylalanine	ME1148369	0.90	1.10
URATE	ME1148510	0.91	1.09
L-TYROSINE	ME1148477	0.91	1.09
Leu Pro_1	ME1148479	0.91	1.09
6-DEOXY-L-GALACTOSE_2	ME1148388	0.91	1.09
4-ACETAMIDOBUTANOATE_1	ME1148377	0.91	1.09
4-ACETAMIDOBUTANOATE_2	ME1148378	0.91	1.09

Factors:

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

Data matrix