Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Microbial depletion and ozone exposure - serum (part II) (Study ST001144)

HILIC LC-MS Negative (Analysis AN001888)

Metabolite	Structure	F1	F2	F3	F4
2-isopropylmalate	ME273855	0.24	0.65	2.11	0.51
2,3-dihydroxyisovalerate	ME273852	0.82	0.70	1.82	0.68
glycerophosphoglycerol	ME273885	0.99	0.78	1.58	0.68
hypotaurine	ME273889	1.03	0.59	1.72	0.72
gulonic acid*	ME273888	0.59	0.63	1.65	1.14
alpha-ketobutyrate	ME273865	0.90	0.68	1.14	1.17
methylsuccinate	ME273894	0.91	0.75	1.33	1.03
sucrose	ME273941	1.00	0.82	1.51	0.91
N-acetylglycine	ME273899	0.56	1.03	0.72	1.64
N-glycolylneuraminate	ME273903	0.94	0.89	0.82	1.35
ethylmalonate	ME273874	0.84	0.90	1.02	1.23
glucose	ME273879	0.84	1.00	1.01	1.13
mannose	ME273893	0.70	1.03	0.91	1.32
3-methyladipate	ME273861	0.77	0.79	1.02	1.42
3-hydroxybutyrate (BHBA)	ME273859	0.72	0.93	1.00	1.33
quinolinate	ME273922	0.79	0.89	0.96	1.35
stearoyl-arachidonoyl-glycerophosphoinositol (2)	ME273937	0.69	1.27	0.87	1.06
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)*	ME273928	0.79	1.20	0.75	1.22
sphingomyelin (d18:1/24:1, d18:2/24:0)*	ME273929	0.80	1.08	0.74	1.34
stearoyl-arachidonoyl-glycerophosphoethanolamine (1)*	ME273935	0.79	1.09	0.83	1.26
chiro-inositol	ME273869	0.93	1.13	1.30	0.57
pimelate (heptanedioate)	ME273920	1.33	0.67	1.13	0.95
ribose	ME273925	1.56	0.56	1.07	0.93
sphingomyelin (d18:1/18:1, d18:2/18:0)	ME273927	0.88	1.12	0.74	1.04
asparagine	ME273867	0.94	1.20	0.74	1.08
N-acetylaspartate (NAA)	ME273898	1.02	1.15	0.71	1.09
stearoyl-arachidonoyl-glycerophosphocholine (2)*	ME273934	0.99	1.16	0.71	1.12
stearoyl-arachidonoyl-glycerophosphocholine (1)*	ME273933	1.13	1.13	0.67	1.07
stearoyl sphingomyelin (d18:1/18:0)	ME273932	1.07	1.25	0.64	0.95
2-oxoadipate	ME273856	1.16	1.00	0.80	1.06
myo-inositol	ME273896	1.17	1.04	0.83	0.97
palmitoyl sphingomyelin (d18:1/16:0)	ME273910	1.15	1.08	0.82	0.97
3-methylglutaconate	ME273862	0.88	1.16	0.94	0.98
stearoyl-arachidonoyl-glycerophosphoinositol (1)*	ME273936	0.98	1.07	0.85	1.09
threonate	ME273943	0.97	1.06	0.84	1.13
glycerate	ME273882	0.91	1.03	0.92	1.13
palmitoyl-arachidonoyl-glycerophosphocholine (2)*	ME273912	0.93	1.07	0.90	1.08
sphingomyelin (d18:2/16:0, d18:1/16:1)*	ME273930	1.06	1.03	0.85	1.07
ribonate	ME273924	1.01	1.02	0.96	1.01
palmitoyl-arachidonoyl-glycerophosphocholine (1)*	ME273911	0.99	1.06	0.89	1.05
palmitoyl-palmitoyl-glycerophosphocholine (2)*	ME273919	1.02	1.06	0.90	1.02
fructose	ME273875	0.99	0.93	0.94	1.14
creatine phosphate	ME273871	0.99	0.97	1.02	1.02
lactate	ME273890	1.00	0.94	1.01	1.06
palmitoyl-linoleoyl-glycerophosphoinositol (1)*	ME273915	1.36	0.89	1.16	0.64
2-hydroxyadipate	ME273853	0.94	1.08	1.18	0.79
glucuronate	ME273880	0.87	0.92	1.17	1.04
N-acetylserine	ME273901	1.02	0.95	1.17	0.88
allantoin	ME273864	0.94	0.94	1.21	0.91
palmitoyl-oleoyl-glycerophosphocholine (1)*	ME273916	1.00	0.89	1.22	0.91
sphingomyelin (d18:1/14:0, d16:1/16:0)*	ME273926	1.15	0.89	0.93	0.72
alpha-ketoglutarate	ME273866	1.37	1.01	0.86	0.81
palmitoyl-oleoyl-glycerophosphoglycerol (2)	ME273917	1.34	1.02	0.89	0.79
guanidinoacetate	ME273887	1.30	1.07	0.95	0.71
stearoyl-linoleoyl-glycerophosphocholine (1)*	ME273938	1.25	0.99	1.01	0.78
stearoyl-linoleoyl-glycerophosphocholine (2)*	ME273939	1.33	0.97	0.99	0.75
galactonate	ME273877	1.11	0.95	1.21	0.75
glycerol 3-phosphate	ME273883	1.17	0.93	1.18	0.75
oleoyl-linoleoyl-glycerophosphoinositol (1)	ME273907	1.17	0.93	1.16	0.77
ribitol	ME273923	1.26	0.84	0.96	0.99
malate	ME273891	1.24	0.91	1.04	0.85
orotidine	ME273909	1.24	0.88	1.04	0.88
aspartate	ME273868	1.31	0.84	1.03	0.88
fumarate	ME273876	1.29	0.84	1.09	0.83
N-palmitoyl-sphingosine	ME273904	1.19	0.85	0.95	0.86
choline phosphate	ME273870	1.23	0.95	0.94	0.92
sphingosine 1-phosphate	ME273931	1.24	0.93	0.98	0.89
3-hydroxy-3-methylglutarate	ME273858	1.10	0.87	1.06	1.00
glutarate (pentanedioate)	ME273881	1.09	0.90	1.04	0.99
glycerophosphoinositol*	ME273886	1.10	0.90	1.03	1.00
N-acetylneuraminate	ME273900	1.09	1.02	0.95	0.95
palmitoyl-palmitoyl-glycerophosphocholine (1)*	ME273918	1.06	0.98	0.98	0.98
taurine	ME273942	1.11	0.95	1.00	0.96
allantoic acid	ME273863	1.11	1.01	1.09	0.80
malonate	ME273892	1.10	1.04	1.05	0.82
mevalonate	ME273895	1.15	0.94	1.09	0.85
stearoyl-linoleoyl-glycerophosphoethanolamine (1)*	ME273940	1.15	0.94	1.10	0.84
erythronate*	ME273873	1.13	0.91	1.09	0.89
N-acetylalanine	ME273897	1.12	0.94	1.07	0.89
orotate	ME273908	1.06	0.96	1.04	0.95
3-hydroxy-2-ethylpropionate	ME273857	1.07	0.93	1.09	0.93
palmitoyl-linoleoyl-glycerophosphocholine (2)*	ME273914	1.05	0.96	1.09	0.92
3-hydroxyisobutyrate	ME273860	1.06	0.99	1.06	0.90
palmitoyl-linoleoyl-glycerophosphocholine (1)*	ME273913	1.08	0.96	1.07	0.91
dimethylmalonic acid	ME273872	1.13	1.06	0.96	0.69
oleoyl-linoleoyl-glycerophosphocholine (1)	ME273905	1.10	1.04	0.99	0.88
2-hydroxyphenylacetate	ME273854	1.22	1.00	0.95	0.85
oleoyl-linoleoyl-glycerophosphocholine (2)	ME273906	1.16	1.01	0.97	0.87
glycerophosphoethanolamine	ME273884	1.20	1.04	0.98	0.80
N-carbamoylaspartate	ME273902	1.15	1.08	0.96	0.83
uridine 5^-monophosphate (UMP)	ME273944	0.67	1.65	0.36	1.10
gluconate	ME273878	0.97	1.46	0.76	0.45
quinate	ME273921	1.20	1.30	0.28	0.61

Factors:

F1	Treament:Antibiotics \| Exposure:Air
F2	Treament:Antibiotics \| Exposure:Ozone
F3	Treament:Water \| Exposure:Air
F4	Treament:Water \| Exposure:Ozone

Data matrix