Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for The role of CFTR in the regulation of intrinsic defense mechanisms of exocrine secretions (Study ST000418)

GC POSITIVE ION MODE (Analysis AN000660)

Metabolite	Structure	F1	F2	F3
arabitol	ME137438	2.44	0.03	0.80
phthalic acid	ME137346	3.45	0.23	0.30
pinitol (put by literature Tree Physiol)	ME137395	1.00	1.87	0.64
pipecolinic acid	ME137439	0.32	1.91	0.91
N-acetyl-L-aspartic acid 1	ME137360	1.55	1.36	0.62
alpha-ketoglutarate	ME137349	1.97	0.76	0.70
tyrosine	ME137371	1.94	0.71	0.73
3247 melibiose-like	ME137420	2.06	0.51	0.76
glutaric acid	ME137424	2.21	0.53	0.69
cyanoalanine	ME137430	1.51	0.94	0.81
1,5-anhydroglucitol	ME137330	1.72	0.56	0.88
histidine 2	ME137378	1.70	0.60	0.87
maleimide	ME137374	1.55	0.69	0.90
succinic acid	ME137394	1.64	0.85	0.80
asparagine minor	ME137413	1.74	0.77	0.79
asparagine dehydrated	ME137398	1.69	0.73	0.83
proline	ME137376	1.69	0.71	0.83
guanosine	ME137402	0.73	1.12	1.06
phthalate ester	ME137335	0.70	1.04	1.11
catechol (likely)	ME137417	0.92	1.27	0.92
taurine	ME137435	0.80	1.21	1.00
cystine	ME137380	1.21	1.17	0.84
urea	ME137329	1.07	1.22	0.88
fructose-6-phosphate 2	ME137412	1.13	1.13	0.89
octadecanol	ME137370	1.09	1.12	0.91
serine minor	ME137361	1.06	1.14	0.91
z polysiloxane	ME137432	1.08	1.14	0.91
glucose-6-phosphate major	ME137362	1.11	0.98	0.96
pelargonic acid	ME137342	1.12	1.00	0.95
glucose-6-phosphate minor	ME137429	1.05	0.98	0.99
heptadecanoic acid	ME137347	1.05	0.94	1.01
trans-4-hydroxy-L-proline minor1	ME137382	1.07	0.95	0.99
arachidiic acid	ME137344	1.00	0.92	1.03
stearic acid	ME137324	1.02	0.94	1.02
capric acid	ME137357	1.01	0.97	1.01
phenol	ME137353	0.98	0.97	1.02
methyltetrahydrophenanthrenone2 nist	ME137345	0.78	1.02	1.08
palmitoleic acid	ME137354	0.86	0.99	1.06
myristic acid	ME137341	0.84	1.07	1.04
lactic acid	ME137352	0.85	1.03	1.05
z artifact1	ME137340	0.85	1.05	1.04
glycerol	ME137328	1.02	1.04	0.97
malonic acid	ME137415	0.92	1.08	1.00
z artifact2	ME137393	0.90	1.04	1.02
hydroxylamine	ME137351	0.97	1.05	0.99
z dioctylphtalate	ME137325	0.95	1.01	1.02
2-hydroxypyridine	ME137332	0.96	1.02	1.01
z artifact3	ME137431	0.96	1.01	1.01
4-hydroxypyridine	ME137385	0.93	1.02	1.02
pseudo-uridine	ME137386	0.92	1.01	1.03
aspartate minor	ME137364	0.86	0.53	1.25
glucose 2	ME137414	0.90	0.47	1.26
z mstfa artifact	ME137327	0.70	0.79	1.21
2-hydroxybutanoic acid	ME137343	0.74	0.70	1.23
spermidine	ME137433	0.74	0.74	1.22
beta alanine	ME137405	0.89	0.86	1.11
pentadecanoic acid	ME137387	0.89	0.92	1.08
cyclohexylamine 1tms	ME137356	0.83	0.82	1.14
phosphogluconic acid	ME137434	0.79	0.79	1.18
glycolic acid	ME137388	0.75	0.91	1.14
threonine	ME137368	0.76	0.92	1.13
beta-hydroxybutyric acid	ME137338	0.77	0.85	1.16
uridine minor	ME137400	0.72	0.87	1.17
glutamine dehydrated	ME137436	0.99	0.59	1.17
arabinose	ME137350	1.10	0.65	1.11
alanine	ME137397	1.05	0.60	1.15
maltotriose 2	ME137406	1.06	0.59	1.14
methionine (likely)	ME137428	1.06	0.65	1.12
hippuric acid 2tms	ME137427	1.06	0.63	1.13
uridine-5^-monophosphate	ME137441	1.05	0.62	1.14
phosphate	ME137323	1.03	0.88	1.04
serine	ME137367	1.04	0.80	1.06
benzoic acid	ME137334	1.05	0.82	1.05
shikimic acid	ME137358	1.04	0.82	1.06
2-hydroxyglutaric acid	ME137403	0.98	0.79	1.10
enolpyruvate nist	ME137423	0.99	0.82	1.08
3-phosphoglycerate	ME137442	0.87	0.73	1.17
butane-2,3-diol nist	ME137443	0.83	0.68	1.20
n-acetylgalactosamine	ME137407	1.02	0.75	1.09
behenic acid	ME137390	1.00	0.73	1.11
n-acetyl-d-hexosamine 2	ME137396	1.01	0.74	1.11
itaconic acid	ME137416	0.96	0.67	1.15
isothreonic acid 4	ME137348	0.96	0.70	1.14
oleic acid	ME137337	0.95	0.69	1.15
glutamine 3TMS major	ME137381	0.93	0.75	1.14
uracil	ME137399	0.93	0.72	1.15
valine 1tms	ME137410	1.16	0.73	1.05
leucine	ME137375	1.15	0.67	1.07
ornithine 3tms	ME137392	1.18	0.63	1.08
citric acid	ME137336	1.26	0.60	1.06
malic acid	ME137389	1.25	0.70	1.02
possible sucrose	ME137421	1.30	0.66	1.02
valine	ME137355	1.28	0.66	1.02
isoleucine	ME137379	1.30	0.69	1.01
putrescine	ME137437	1.29	0.72	1.00
udp-n-acetylglucosamine	ME137408	1.27	0.78	0.98
glyceric acid	ME137372	1.26	0.86	0.95
xylose	ME137409	1.25	0.86	0.95
isothreonic acid 2	ME137391	1.22	0.87	0.96
uric acid	ME137366	1.20	0.90	0.96
1-monostearin	ME137369	1.35	0.79	0.94
fumaric acid	ME137404	1.39	0.73	0.95
lysine	ME137363	1.39	0.75	0.94
ribitol (likely)	ME137440	1.33	0.92	0.90
ornithine 4TMS	ME137377	1.39	0.85	0.90
oxoproline	ME137333	1.40	0.86	0.89
glycine	ME137326	1.36	0.85	0.91
hexanedioic acid, bis(2-ethylhexyl) ester nist (likely)	ME137418	1.38	0.83	0.91
hexose pertms nist	ME137331	1.47	0.52	1.00
fructose 2	ME137373	1.26	0.23	1.21
butyrolactam nist	ME137411	1.16	0.38	1.19
aminomalonic acid	ME137383	1.29	0.46	1.11
glucose	ME137419	1.29	0.46	1.10
3-(4-hydroxyphenyl)propionic acid	ME137426	0.18	1.21	1.25
n-methylalanine	ME137384	0.51	0.86	1.26
linoleic acid	ME137339	0.55	0.64	1.34
3,4-dihydroxycinnamic acid	ME137425	0.39	0.66	1.40
salicylic acid	ME137359	0.41	0.62	1.40
maltotriose 1	ME137401	0.55	0.38	1.45
chlorogenic acid major	ME137365	0.18	0.54	1.53
melibiose minor	ME137422	0.29	0.44	1.53

Factors:

F1	Group:CF
F2	Group:MOM
F3	Group:NCF

Data matrix