Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003101)

Reversed phase NEGATIVE ION MODE (Analysis AN005075)

Metabolite	Structure	F1	F2	F3	F4
hydroxybenzaldehyde	ME808829	0.08	1.89	0.06	1.97
N-Acetyldopamine	ME808863	0.33	1.23	0.39	2.05
LPE 16:0	ME808860	0.41	0.34	0.22	3.03
tryptophan	ME808952	0.15	0.15	0.12	3.57
FAHFA 36:1	ME808854	0.81	0.63	0.67	1.89
ethyl 4-aminobenzoic acid	ME808852	0.45	0.70	0.42	2.42
heneicosanoyl-glycerophosphoserine	ME808813	0.70	0.45	0.50	2.35
LPE 18:0	ME808861	0.61	0.35	0.46	2.58
hydroxyundecenoylcarnitine	ME808812	0.58	3.10	0.23	0.09
hydroxycinnamic acid	ME808822	0.34	2.16	0.44	1.07
trans-p-hydroxycinnamic acid	ME808950	0.38	2.55	0.72	0.35
dimethyl-4-hydroxycoumarin	ME808830	0.37	2.53	0.47	0.63
p-coumaraldehyde	ME808870	0.41	2.43	0.61	0.54
dihydroxyphenyl ethanol	ME808821	0.13	3.08	0.08	0.70
hydroxyphenylacetic acid glucuronide	ME808817	0.19	3.09	0.13	0.59
hydroxyphenylacetic acid glucuronide_iso	ME808818	0.20	2.82	0.20	0.78
methylcatechol	ME808824	0.33	2.58	0.28	0.80
dihydro PGF-1a	ME808835	0.73	0.30	2.80	0.07
ethyl vanillin	ME808853	0.43	0.92	2.51	0.14
PE(PGE1/20:2)	ME808900	0.99	0.75	1.70	0.55
hydroxyjasmonic acid	ME808811	1.44	0.89	1.52	0.15
oxododecanoic acid_iso	ME808826	1.43	0.86	1.50	0.20
PE 18:3_18:3	ME808874	1.22	0.78	1.67	0.33
omega-hydroxydodecanoic acid	ME808866	1.27	0.61	1.62	0.49
oxotetradecanoic acid	ME808827	1.37	0.63	1.63	0.37
PS(20:0/24:0)	ME808936	1.41	0.73	1.46	0.39
hydroxy capric acid	ME808831	1.25	0.78	1.54	0.42
oxotetradecanoic acid_iso	ME808828	1.31	0.74	1.54	0.40
TXB3	ME808953	1.41	1.25	1.33	0.01
hydroxyprostaglandin E1	ME808838	1.25	1.04	1.67	0.03
methyl p-hydroxybenzoate	ME808910	1.26	0.98	1.69	0.06
suberic acid	ME808947	1.05	1.22	1.72	0.02
hydroxytetradecanedioic acid	ME808823	1.12	1.15	1.47	0.26
hydroxyoctanoic acid	ME808816	1.14	1.10	1.60	0.16
vanillic acid	ME808955	1.04	1.15	1.61	0.19
dinor-TXB2	ME808815	1.19	0.65	2.11	0.05
20-hydroxy-PGE2	ME808839	1.11	0.79	2.00	0.09
tetradecanedioic acid	ME808948	1.21	0.81	1.87	0.11
hydroxy-PGF1a	ME808836	1.80	0.39	1.80	0.01
thromboxane B2	ME808949	1.87	0.45	1.65	0.04
hydroxyhexadecanedioic acid	ME808956	1.46	0.55	1.98	0.01
prostaglandin F2a	ME808925	1.45	0.60	1.90	0.05
dinor-11b-PGF2alpha	ME808814	1.54	0.70	1.75	0.02
hydroxydecanoic acid_iso	ME808833	1.60	0.59	1.64	0.17
N-omega-Acetylhistamine	ME808864	1.68	0.72	0.99	0.62
cer(d18:0/18:1-2OH)	ME808841	1.66	0.91	0.97	0.46
PS(20:0/18:0)	ME808935	1.55	0.81	1.13	0.52
linolenic acid	ME808911	0.92	0.57	1.14	1.37
PE(P-18:0/18:3)	ME808898	0.80	0.78	1.21	1.21
dihydroxymandelic acid	ME808820	0.65	1.01	1.34	1.00
PI 16:0_18:3	ME808914	0.70	0.92	1.45	0.93
PI 18:0_18:3	ME808917	0.79	0.74	1.68	0.79
PI(TXB2/20:3)	ME808923	0.81	0.77	1.62	0.80
PE 34:3	ME808878	0.89	0.67	1.52	0.92
PE(20:0/PGD1)	ME808892	0.86	0.79	1.43	0.92
PS(PGD1/22:2)	ME808938	0.88	0.80	1.37	0.95
PE(20:2/20:3-2OH)	ME808895	1.06	0.98	1.32	0.64
PE(P-18:1/PGF1alpha)	ME808899	1.07	0.82	1.41	0.71
PG(18:1-O/18:0)	ME808907	1.13	0.81	1.38	0.68
LPE 18:3	ME808862	1.00	0.88	1.36	0.77
PE(TXB2/P-18:0)	ME808904	0.99	0.93	1.36	0.72
PE O-16:0_18:3	ME808880	1.04	0.91	1.28	0.76
PE 18:0_18:3	ME808872	1.06	0.85	1.35	0.74
PS(PGE2/20:0)	ME808939	1.07	0.85	1.32	0.76
CL(16:1/18:1/18:2/18:2)	ME808843	0.80	0.98	1.28	0.94
PE(20:0/PGF1alpha)	ME808893	0.97	0.91	1.27	0.85
PE(20:4-2OH/22:0)	ME808896	0.97	0.89	1.25	0.89
PE 18:1_18:3	ME808873	0.95	0.92	1.24	0.88
PS(18:1-2OH/22:1)	ME808934	0.95	0.91	1.26	0.88
DG(i-22:0/LTE4/0:0)	ME808850	1.32	0.98	1.20	0.51
PI 18:3_18:3	ME808920	1.15	0.92	1.43	0.49
CL(18:3/18:3/18:3/18:3)	ME808847	1.17	0.89	1.40	0.54
PC(PGJ2/14:1)	ME808868	1.13	0.87	1.44	0.55
PE(PGE1/P-16:0)	ME808902	1.17	0.83	1.44	0.56
PE O-18:4_18:3	ME808884	1.07	1.02	1.41	0.50
SM(d19:1/18:1-2OH)	ME808946	1.15	0.97	1.46	0.42
salicylic acid beta-D-glucoside	ME808943	0.52	1.17	1.01	1.30
PG 32:1	ME808906	0.75	0.94	0.87	1.44
PI 18:1_18:1	ME808918	0.89	1.21	0.64	1.26
PI 18:0_18:1	ME808916	0.79	1.16	0.71	1.34
PI(TXB2/20:1)	ME808922	0.82	1.11	0.78	1.29
hydroxydodecanoic acid	ME808834	0.79	1.27	1.21	0.73
GPSer(18:0/18:3)	ME808856	0.94	1.09	1.14	0.83
PE O-20:0_18:1	ME808885	0.99	1.07	1.13	0.81
PE(18:1-2OH/22:0)	ME808890	1.04	1.04	1.08	0.84
PE O-20:0_18:3	ME808886	1.00	0.99	1.14	0.87
PE(PGF1alpha/DiMe)	ME808903	1.05	1.15	0.96	0.84
PE 34:2	ME808877	1.08	1.17	1.00	0.76
DG(i-20:0/0:0/LTE4)	ME808849	1.05	1.18	0.97	0.80
PS(18:1/16:0)	ME808931	1.06	1.18	0.97	0.79
PE(20:1/18:1-2OH)	ME808894	1.13	1.11	1.02	0.74
PS(18:1-2OH/20:0)	ME808932	1.10	1.08	1.01	0.81
PS(15:0/22:0)	ME808927	0.93	1.09	0.86	1.13
CL(18:1/18:1/18:1/18:1)	ME808846	0.88	1.26	0.78	1.08
PE(18:1-2OH/16:0)	ME808889	0.98	1.17	0.90	0.95
CL(16:1/18:1/18:1/16:1)	ME808844	0.93	1.25	0.88	0.95
PE 34:1	ME808876	0.92	1.19	0.89	1.00
PS(18:1-2OH/22:0)	ME808933	1.07	0.95	1.01	0.97
PS(24:1/15:0)	ME808937	1.05	0.96	0.97	1.02
PE O-16:1_18:1	ME808881	1.07	1.04	0.98	0.91
PE(18:1-2OH/24:0)	ME808891	1.00	0.98	1.07	0.95
ISTD_PE (15:0-18:1-d7)_791638	ME808858	0.99	1.03	1.00	0.98
PS(15:0/24:0)	ME808928	1.01	1.02	1.05	0.92
PS(PGF1alpha/22:0)	ME808942	1.02	1.03	1.01	0.94
PC(PGJ2/P-16:0)	ME808869	0.93	1.08	1.05	0.94
PE O-20:3_18:3	ME808887	0.91	1.09	1.06	0.94
PE O-18:0_18:1	ME808882	0.96	1.06	0.97	1.00
ISTD_PG (15:0-18:1-d7)_791640	ME808859	0.98	1.06	0.93	1.03
PA(a-25:0/22:6-OH)	ME808867	0.96	1.05	0.96	1.04
PS(16:0/18:0)	ME808929	0.93	1.10	0.98	0.99
SM(d19:0/18:1-2OH)	ME808945	0.93	1.11	0.93	1.04
PE O-18:0_18:3	ME808883	0.92	1.01	1.06	1.00
PG(18:2/18:0)	ME808908	0.91	1.02	1.01	1.06
PS 18:1_18:3	ME808926	0.90	1.03	1.01	1.05
PE-Cer 14:1;2O/20:0	ME808905	0.87	0.95	0.94	1.24
PI 18:1_18:3	ME808919	0.83	0.92	1.14	1.11
PI(TXB2/20:4)	ME808924	0.85	0.94	1.10	1.11
behenic acid	ME808840	0.99	0.90	0.98	1.12
PE 36:2	ME808879	0.94	0.94	1.01	1.11
PS(18:1/18:0)	ME808930	0.96	0.97	1.00	1.08
PI 16:0_16:1	ME808912	1.17	1.60	0.60	0.63
PE(P-16:0/PGF1alpha)	ME808897	1.31	1.14	0.96	0.59
PS(PGF1alpha/18:1)	ME808941	1.29	1.12	0.93	0.66
PI 16:1_18:1	ME808915	1.22	1.27	0.65	0.86
PI 16:0_18:1	ME808913	1.09	1.30	0.66	0.95
PI(6 keto-PGF1alpha/18:1)	ME808921	1.05	1.21	0.76	0.99
PE(18:0/18:1-2OH)	ME808888	1.07	1.46	0.91	0.57
PE 32:1	ME808875	1.14	1.53	0.89	0.45
PE(PGE1/22:0)	ME808901	1.13	1.35	0.80	0.73
urate	ME808954	0.93	1.42	0.93	0.72
CL(18:1/16:1/18:1/18:1)	ME808845	1.00	1.29	0.93	0.79
PS(PGF1alpha/18:0)	ME808940	1.04	1.31	0.90	0.75
decanedioic acid	ME808848	0.69	1.21	1.99	0.11
hydroxydecanoic acid	ME808832	0.58	1.10	1.89	0.43
dodecanedioic acid	ME808851	0.78	1.32	1.50	0.39
ferulic acid	ME808855	0.68	1.65	1.55	0.13
dihydroxybenzaldehyde	ME808819	0.61	1.69	1.08	0.63
salsalate	ME808944	0.60	1.72	1.07	0.61
homovanillic acid	ME808857	0.57	1.93	1.19	0.31
p-coumaryl alcohol	ME808871	0.68	1.92	0.95	0.45
decenedioic acid	ME808842	1.03	1.88	1.05	0.04
nonanoate	ME808865	0.99	2.08	0.89	0.03
E-9-oxodec-2-enoic acid	ME808909	1.15	1.60	1.17	0.08
hydroxy-PGE2	ME808837	1.16	1.61	1.18	0.05
oxododecanoic acid	ME808825	0.93	1.69	1.01	0.37
traumatic Acid	ME808951	0.97	1.70	1.12	0.21

Factors:

F1	Treatment:Banked
F2	Treatment:Early mated
F3	Treatment:Late mated
F4	Treatment:Virgin

Data matrix