Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Physiological and metabolic response of pteropods to ocean acidification (part IV) (Study ST001166)

GC POSITIVE ION MODE (Analysis AN001928)

Metabolite	Structure	F1	F2	F3	F4
adenosine	ME277710	0.50	0.70	1.08	1.74
dehydroabietic acid	ME277690	0.62	0.88	0.55	1.89
mannitol	ME277640	0.68	1.04	0.69	1.54
hexadecylglycerol NIST	ME277663	0.77	0.78	0.80	1.62
leucine	ME277647	0.88	0.76	0.80	1.53
ciliatine	ME277694	0.69	1.29	0.60	1.37
phosphate	ME277622	0.76	1.33	0.54	1.30
citrulline	ME277692	0.82	1.49	0.74	0.92
lysine	ME277644	1.07	1.40	0.66	0.82
tryptophan	ME277598	1.13	1.50	0.53	0.77
lyxitol	ME277643	0.67	0.84	1.50	1.05
glutamic acid	ME277674	0.92	1.29	0.60	1.14
oxoproline	ME277629	1.01	1.15	0.64	1.15
beta-alanine	ME277703	0.91	1.27	0.91	0.90
guanosine	ME277666	0.92	1.23	0.86	0.97
methionine sulfoxide	ME277637	0.98	1.22	0.86	0.91
ornithine	ME277630	1.03	1.25	0.76	0.93
spermidine	ME277612	1.05	1.16	0.74	1.02
methionine minor	ME277638	1.05	0.93	0.75	1.24
pinitol	ME277620	0.95	0.81	0.85	1.38
glycine	ME277669	1.01	1.06	0.90	1.02
4^,5-dihydroxy-7-glucosyloxyflavanone	ME277716	1.01	1.06	0.82	1.09
threonine	ME277601	1.00	1.03	0.87	1.08
glycyl proline	ME277667	0.94	1.04	0.84	1.16
lactitol	ME277651	0.93	1.01	0.85	1.19
squalene	ME277610	0.87	1.07	0.91	1.14
adenine	ME277711	0.90	1.04	0.89	1.16
lactulose	ME277649	0.88	1.06	0.87	1.18
isoheptadecanoic acid NIST	ME277656	0.87	1.02	0.95	1.15
maltose	ME277642	0.85	1.03	0.92	1.19
galactose	ME277678	0.85	1.12	0.73	1.27
glucose	ME277676	0.87	1.09	0.75	1.26
taurine	ME277603	0.66	1.19	0.82	1.31
aspartic acid	ME277706	0.77	1.18	0.80	1.22
inosine	ME277658	0.74	1.22	0.76	1.24
lactose	ME277650	1.35	0.95	0.84	0.84
thymidine	ME277600	1.30	0.92	0.86	0.90
phosphoethanolamine	ME277621	1.26	0.98	0.81	0.92
succinic acid	ME277607	1.33	0.95	0.79	0.90
thymine	ME277599	1.30	0.95	0.79	0.93
glucose-6-phosphate	ME277675	1.32	0.82	0.93	0.92
glycerol-alpha-phosphate	ME277670	1.39	0.86	0.87	0.86
tyrosine	ME277597	1.15	1.23	0.82	0.77
caprylic acid	ME277699	1.15	1.09	0.95	0.80
ribose	ME277616	1.17	1.03	0.90	0.89
isoleucine	ME277655	1.15	1.10	0.89	0.85
phenylalanine	ME277624	1.16	1.12	0.83	0.87
valine	ME277594	1.20	1.12	0.83	0.83
cellobiose	ME277698	1.17	1.01	0.68	1.10
alanine	ME277709	1.16	1.01	0.82	0.98
isomaltose	ME277654	1.16	0.97	0.88	0.98
methionine	ME277639	1.17	1.06	0.75	0.98
octadecanol	ME277632	1.11	1.05	0.79	1.02
hexadecane	ME277664	1.23	0.79	1.17	0.83
diacetone alcohol NIST	ME277689	1.17	0.89	1.16	0.80
linoleic acid	ME277645	1.12	0.94	1.14	0.82
lignoceric acid	ME277646	1.22	0.77	0.99	1.02
sulfuric acid	ME277605	1.21	0.70	1.14	0.96
conduritol-beta-epoxide	ME277691	0.88	0.83	1.28	1.05
spermine	ME277611	0.88	0.80	1.28	1.08
cholesterol NIST	ME277695	0.97	0.78	1.26	1.02
beta-sitosterol	ME277702	0.94	0.81	1.20	1.07
putrescine	ME277618	0.99	0.82	1.20	1.02
lactic acid	ME277652	0.95	0.79	1.38	0.93
myo-inositol	ME277636	0.91	0.87	1.30	0.96
isoribose	ME277653	1.13	0.88	1.02	0.97
oleic acid	ME277631	1.11	0.85	1.01	1.03
serine	ME277615	1.15	0.94	0.98	0.93
lauric acid	ME277648	1.08	0.98	1.00	0.94
nonadecanoic acid	ME277633	1.06	0.96	1.01	0.98
dihydrocholesterol	ME277688	1.06	0.85	1.12	0.99
stigmasterol	ME277608	1.07	0.79	1.09	1.06
fructose	ME277683	1.09	0.79	1.01	1.12
tagatose	ME277604	1.09	0.84	0.98	1.09
behenic acid	ME277705	0.97	0.95	0.98	1.09
2-hydroxypyrazinyl-2-propenoic acid ethyl ester NIST	ME277718	1.02	0.90	1.06	1.03
arachidic acid	ME277708	1.05	0.91	1.00	1.04
dodecanol	ME277687	1.02	0.90	1.00	1.07
pelargonic acid	ME277626	1.04	1.12	1.04	0.81
benzoic acid	ME277704	1.07	1.00	1.05	0.88
glutaric acid	ME277673	1.06	1.05	1.10	0.80
hydroxycarbamate NIST	ME277660	1.02	1.02	1.12	0.86
maltotriose	ME277641	1.00	1.04	1.11	0.87
fucose	ME277681	0.96	0.90	1.12	1.04
pyrrole-2-carboxylic acid	ME277617	0.98	0.90	1.14	1.00
1-monostearin	ME277719	0.93	0.91	1.16	1.02
5-methoxytryptamine	ME277712	0.95	0.91	1.18	0.98
ergosterol	ME277685	0.96	0.92	1.18	0.97
glycolic acid	ME277668	0.99	0.93	1.21	0.90
glycerol	ME277671	0.99	0.96	1.12	0.95
capric acid	ME277700	1.03	0.92	1.10	0.96
fumaric acid	ME277680	1.03	0.91	1.14	0.93
2-ketoadipic acid	ME277717	1.07	0.94	1.14	0.87
epsilon-caprolactam	ME277686	1.02	0.98	1.10	0.91
4-hydroxybutyric acid	ME277714	1.06	0.95	1.10	0.90
hydroxylamine	ME277659	1.05	0.96	1.09	0.91
4-aminobutyric acid	ME277715	0.92	1.08	0.96	1.03
palmitoleic acid	ME277627	0.94	1.08	0.95	1.03
nicotinic acid	ME277634	0.95	1.08	0.98	0.99
pentadecanoic acid	ME277625	0.97	1.07	0.96	0.99
1,3,5-trimethylcyanuric acid	ME277722	1.01	0.98	1.06	0.96
hexuronic acid	ME277661	0.98	1.01	1.03	0.98
palmitic acid	ME277628	1.00	1.01	1.01	0.99
5-aminovaleric acid	ME277713	1.02	0.95	1.00	1.04
stearic acid	ME277609	1.01	0.98	0.98	1.03
myristic acid	ME277635	0.99	1.04	0.98	1.00
heptadecanoic acid	ME277665	0.98	1.01	0.97	1.04
sorbitol	ME277613	1.00	1.02	0.96	1.02
gluconic acid	ME277677	0.97	1.07	1.06	0.91
urea	ME277595	0.94	1.08	1.04	0.94
1,2,4-benzenetriol	ME277723	0.90	1.16	0.96	0.97
phenylethylamine	ME277623	0.96	1.16	0.97	0.91
zymosterol	ME277592	0.91	0.84	1.14	1.13
cholesterol	ME277696	0.92	0.89	1.10	1.11
fructose-6-phosphate	ME277682	0.94	0.92	1.06	1.08
1-hexadecanol	ME277721	0.90	0.98	1.05	1.08
cis-gondoic acid	ME277693	0.88	1.02	1.04	1.08
glyceric acid	ME277672	0.92	0.97	1.14	1.00
ethanolamine	ME277684	0.93	1.01	1.07	1.00
isobutene glycol NIST	ME277657	0.92	1.00	1.09	0.99
galactonic acid	ME277679	0.85	1.08	1.10	0.98
1-monopalmitin	ME277720	0.85	1.01	1.17	0.99
arachidonic acid	ME277707	0.82	0.97	1.17	1.06
piperidone	ME277619	0.74	1.15	1.16	0.97
butyrolactam NIST	ME277701	0.73	0.87	1.21	1.22
UDP GlcNAc	ME277596	0.76	0.93	1.16	1.17
cerotinic acid	ME277697	0.86	0.93	0.96	1.25
threonic acid	ME277602	0.78	0.98	1.06	1.20
xylitol	ME277593	1.44	0.35	0.71	1.47
shikimic acid	ME277614	1.60	0.67	0.94	0.77
hexitol	ME277662	1.88	0.51	0.87	0.72
sucrose	ME277606	2.01	0.51	0.79	0.65

Factors:

F1	pH Treatment:High \| DO Treatment:High
F2	pH Treatment:High \| DO Treatment:Low
F3	pH Treatment:Low \| DO Treatment:High
F4	pH Treatment:Low \| DO Treatment:Low

Data matrix