Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Combined Metabolomics and Lipidomics of Type 1 Diabetes (QTOF) (Study ST000075)

ESI/QTOF positive ion mode (Analysis AN000119)

Metabolite	Structure	F1	F2	F3
CE (18:1)	ME652865	0.75	1.13	1.72
TG (50:4)	ME652966	0.97	0.97	1.74
PC-O (34:1) (plasmanyl/plasmenyl)	ME652926	0.89	1.03	1.59
TG (52:3)	ME652974	0.98	0.97	1.55
TG (56:1)	ME652988	1.21	0.80	1.61
CE (18:2)	ME652866	0.96	1.00	1.38
PC-O (38:6) (plasmanyl/plasmenyl)	ME652933	1.11	0.89	1.45
TG (51:3)	ME652969	1.15	0.87	1.28
SM (33:1)	ME652941	0.76	1.15	1.37
LPC (16:0)	ME652872	0.58	1.29	1.19
PC (40:4)	ME652913	0.61	1.27	1.17
LPC (18:1)	ME652875	0.56	1.31	1.10
LPC (20:3)	ME652879	0.52	1.34	1.13
PC 32:0	ME652917	0.71	1.21	1.05
PC (36:6)	ME652904	0.65	1.25	1.05
Oleoyl ethylamide	ME652885	0.78	1.15	1.18
PC (35:1)	ME652896	0.85	1.10	1.09
LPC (15:0)	ME652871	0.81	1.14	1.04
PC (16:0/16:0)	ME652886	0.77	1.16	1.09
SM (d18:2/23:0)	ME652948	0.43	1.36	1.76
N-Tetracosenoyl-4-sphingenyl-1-O-phosphorylcholine	ME652884	0.41	1.40	1.47
1-Hexadecanoyl-sn-glycero-3-phosphocholine	ME652860	0.48	1.36	1.31
PC (18:1/16:0)	ME652887	0.55	1.29	1.45
PC (33:1)	ME652890	0.56	1.30	1.41
PC 36:4	ME652921	0.95	1.03	1.05
PC 36:2	ME652920	1.03	0.98	0.95
PC (36:5) C	ME652903	1.04	0.97	1.06
PC-O (40:7) (plasmanyl/plasmenyl)	ME652935	1.03	0.98	1.02
plasmenyl-PE 40:6	ME652940	0.92	1.06	0.90
PC (35:4)	ME652899	0.96	1.05	0.80
PC 33:2	ME652919	0.98	1.03	0.86
Cholesterol	ME652869	0.97	1.04	0.85
PC (34:2)	ME652893	0.96	1.04	0.86
PC (36:3) A	ME652901	1.05	0.98	0.80
PC (33:2)	ME652891	1.01	1.01	0.72
PC (36:2)	ME652900	1.07	0.97	0.73
TG (52:4)	ME652975	1.17	0.90	0.71
TG (52:5)	ME652976	1.33	0.79	0.54
TG (52:6)	ME652977	1.23	0.86	0.53
TG (56:3)	ME652990	1.20	0.88	0.60
TG (56:5)	ME652992	1.23	0.86	0.59
TG (58:6)	ME653000	1.06	1.00	0.35
Acylcarnitine C18:2	ME652864	1.11	0.98	0.19
TG (56:7)	ME652994	1.05	1.02	0.25
Acylcarnitine C18:0	ME652862	1.27	0.86	0.26
PC (35:2)	ME652897	1.23	0.87	0.42
TG 58:5	ME653005	1.15	0.93	0.41
TG (53:5)	ME652980	1.17	0.92	0.36
PC (39:6)	ME652912	1.16	0.93	0.32
TG (58:4) A	ME652999	1.15	0.94	0.30
PC (36:4)	ME652902	0.78	1.18	0.80
LPC (18:0)	ME652874	0.70	1.24	0.72
PC (34:0)	ME652892	0.67	1.26	0.82
PC (38:4) A	ME652909	0.89	1.11	0.60
TG (56:6)	ME652993	0.96	1.06	0.55
PC (35:3)	ME652898	0.73	1.24	0.43
PC (38:6) A	ME652911	0.76	1.22	0.40
PC 38:6	ME652922	0.82	1.17	0.52
PC (38:5) A	ME652910	0.68	1.26	0.59
CE (20:4)	ME652867	0.72	1.24	0.51
LPC (18:2)	ME652876	0.75	1.22	0.52
LPC (20:4)	ME652880	0.62	1.33	0.36
LPC (20:5)	ME652881	0.62	1.33	0.32
LPC (22:6)	ME652882	0.61	1.34	0.19
PC (40:7)	ME652915	0.63	1.33	0.14
PC (37:4)	ME652906	0.97	1.06	0.39
PC (37:6)	ME652907	0.88	1.13	0.37
PC (40:6) A	ME652914	0.96	1.08	0.27
PC 40:6	ME652923	0.93	1.11	0.28
TG (56:4)	ME652991	0.93	1.10	0.32
PC (40:8)	ME652916	0.91	1.13	0.12
Acylcarnitine C16:0	ME652861	0.79	1.21	0.24
PE (38:6)	ME652937	0.76	1.23	0.27
PC (37:2)	ME652905	0.74	1.26	0.11
Acylcarnitine C18:1	ME652863	0.84	1.18	0.17
CE (22:6)	ME652868	0.79	1.22	0.14
PC 42:10	ME652924	0.78	1.22	0.16
LPC (16:1)	ME652873	0.38	1.46	0.91
LPC (20:1)	ME652877	0.33	1.54	0.37
PC (34:3)	ME652894	0.44	1.45	0.52
LPC (20:2)	ME652878	0.60	1.32	0.66
PC (38:2)	ME652908	0.52	1.38	0.60
TG (52:0)	ME652971	1.54	0.58	1.34
TG (54:3)	ME652983	1.41	0.69	1.20
TG (58:2)	ME652997	1.30	0.76	1.31
TG (49:2)	ME652961	1.58	0.58	0.84
TG (54:4)	ME652984	1.45	0.69	0.81
TG (56:2)	ME652989	1.28	0.80	0.87
TG (53:3)	ME652978	1.42	0.69	1.07
TG (58:3)	ME652998	1.40	0.71	0.97
TG (54:6)	ME652986	1.77	0.50	0.15
TG 54:7;TG(16:0/18:2/20:5)	ME653003	1.94	0.38	0.09
TG (53:4)	ME652979	1.65	0.56	0.47
TG (54:5)	ME652985	1.47	0.69	0.50
TG (54:8)	ME652987	1.41	0.76	0.22
TG (51:4)	ME652970	1.48	0.70	0.34
TG 55:4	ME653004	1.56	0.65	0.23
TG (56:8)	ME652995	1.40	0.77	0.05
TG (58:9)	ME653002	1.47	0.73	0.05
TG (58:10)	ME652996	1.54	0.67	0.02
TG (58:8)	ME653001	1.64	0.60	0.06
TG (52:1)	ME652972	1.52	0.43	3.60
PC-O (36:4) (plasmanyl/plasmenyl)	ME652930	0.85	0.93	3.52
PC-O (34:2) (plasmanyl/plasmenyl)	ME652927	0.82	0.96	3.29
SM 34:1	ME652955	0.86	0.93	3.39
TG (50:1)	ME652963	1.24	0.61	3.87
PC-O (36:5) (plasmanyl/plasmenyl)	ME652931	0.92	0.84	4.02
PE-O (38:5) (plasmanyl/plasmenyl)	ME652939	0.93	0.83	4.01
PC-O (36:3) (plasmanyl/plasmenyl)	ME652929	1.00	0.80	3.79
SM (34:0)	ME652942	0.95	0.84	3.72
TG (50:2)	ME652964	1.44	0.63	1.67
TG (51:2)	ME652968	1.46	0.60	1.82
TG (50:0)	ME652962	1.64	0.45	2.18
TG (54:1)	ME652981	1.48	0.57	2.10
TG (49:1)	ME652960	1.32	0.67	2.34
TG (54:2)	ME652982	1.51	0.52	2.48
TG (48:0)	ME652957	1.56	0.49	2.35
TG (51:1)	ME652967	1.48	0.55	2.34
PC-O (40:4) (plasmanyl/plasmenyl)	ME652934	1.03	0.91	1.98
SM (d41:1)	ME652953	0.84	1.02	2.29
DG (36:3)	ME652870	1.02	0.89	2.39
PC-O (36:2) (plasmanyl/plasmenyl)	ME652928	0.95	0.94	2.31
TG (52:2)	ME652973	1.04	0.85	2.70
SM (d18:1/16:1)	ME652947	0.80	1.00	2.98
PC-O (40:8) (plasmanyl/plasmenyl)	ME652936	0.91	0.93	2.82
SM (d18:1/16:0)	ME652946	0.90	0.94	2.83
PC (32:1)	ME652888	0.38	1.31	2.87
PC 32:1	ME652918	0.40	1.32	2.56
TG (50:3)	ME652965	0.62	1.14	2.84
PC (34:4)	ME652895	0.65	1.13	2.67
PC-O (32:0) (plasmanyl/plasmenyl)	ME652925	0.66	1.12	2.70
PC (32:2)	ME652889	0.55	1.22	2.38
SM (d40:1)	ME652951	0.54	1.24	2.27
SM (d18:2/24:1)	ME652949	0.64	1.16	2.48
PE-O (36:5) (plasmanyl/plasmenyl)	ME652938	0.76	1.07	2.54
SM (d42:1)	ME652954	0.75	1.08	2.43
SM (d18:1/14:0)	ME652945	0.52	0.79	8.69
TG (48:1)	ME652958	0.63	0.70	8.75
SM (d16:1/20:1)	ME652944	0.80	0.69	7.24
SM (d38:1)	ME652950	0.54	0.94	6.46
TG (46:0)	ME652956	0.98	0.67	5.67
TG (48:2)	ME652959	0.92	0.72	5.61
SM (d40:2) A	ME652952	0.46	1.13	4.66
PC-O (38:4) (plasmanyl/plasmenyl)	ME652932	0.85	0.84	4.72
N-Stearoyl-4-sphingenyl-1-O-phosphorylcholine	ME652883	0.84	0.83	5.00
SM (d16:1/20:0)	ME652943	0.86	0.81	4.93

Factors:

F1	Diagnosis:diabetic
F2	Diagnosis:non-diabetic
F3	Diagnosis:QC - quality check sample

Data matrix