Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003101)

Reversed phase NEGATIVE ION MODE (Analysis AN005073)

Metabolite	Structure	F1	F2	F3	F4
L-citrulline	ME808597	0.02	0.05	0.13	3.79
5-hydroxyindoleacetic acid	ME808577	0.13	0.23	0.39	3.24
glycyl-phenylalanine	ME808625	0.20	0.20	0.26	3.34
L-methionine sulfone	ME808662	0.16	0.17	0.18	3.49
N-(1-deoxy-1-fructosyl)tryptophan	ME808630	0.18	0.15	0.20	3.47
kynurenic acid; LC-tDDA; CE20	ME808660	0.29	0.34	0.28	3.09
salicylic Acid	ME808684	0.25	0.45	0.34	2.96
thymidine-5^-monophosphate	ME808688	0.36	0.41	0.47	2.77
gamma-glutamyltryptophan	ME808628	0.32	0.33	0.41	2.94
L-tyrosine	ME808690	0.38	0.30	0.42	2.91
3-hydroxykynurenine	ME808570	0.28	0.69	0.30	2.74
HMDB0242754	ME808644	0.12	0.91	0.10	2.87
nepetariaside	ME808632	0.38	0.97	0.81	1.84
ureidopropionate	ME808692	0.39	0.80	1.04	1.76
1-heneicosanoyl-glycero-3-phosphoserine	ME808645	0.84	0.50	0.61	2.05
N6-acetyl-lysine; LC-tDDA; CE20	ME808667	0.71	0.51	0.79	1.98
N-acetyl-L-lysine	ME808672	0.81	0.55	0.83	1.82
uridine	ME808693	0.80	0.79	0.81	1.59
3-hydroxy-2-oxoindole	ME808643	0.76	0.82	0.85	1.58
allantoin	ME808587	0.74	0.87	0.83	1.56
L-histidine	ME808614	0.71	0.85	0.78	1.66
pantothenic acid	ME808677	0.78	0.75	0.80	1.67
uridine 5^-diphospho-N-acetylglucosamine sodium salt	ME808694	0.80	0.78	0.74	1.67
2-cinnamoyl-1-galloyl-beta-D-glucopyranose	ME808633	0.82	0.80	0.56	1.82
PE 18:0_22:6;4O	ME808680	0.61	0.84	0.52	2.03
xanthine	ME808696	0.61	0.85	0.66	1.89
3-hydroxybenzoic acid	ME808568	0.56	1.18	0.82	1.44
7-methylinosine	ME808620	0.51	1.20	0.62	1.67
trans-cinnamic acid	ME808689	0.71	1.24	0.56	1.50
caffeic acid	ME808594	0.53	1.06	1.21	1.19
4-hydroxybenzoyl glucose	ME808651	0.48	0.98	1.11	1.42
3,4-dihydroxymandelic acid	ME808566	0.56	0.86	1.17	1.41
4-hydroxybenzoic acid	ME808574	0.55	0.85	1.15	1.45
L-beta-aspartyl-L-leucine	ME808622	0.82	0.91	1.12	1.15
N-desmethyl topotecan	ME808648	0.87	0.77	1.02	1.35
isoleucine	ME808658	1.00	0.89	0.88	1.22
uric acid	ME808691	0.92	0.89	0.95	1.25
DL-isocitric acid trisodium salt hydrate	ME808657	0.88	1.12	0.94	1.06
xanthurenic acid	ME808698	0.79	1.13	0.87	1.21
phenylalanylisoleucine	ME808626	0.73	0.98	0.91	1.38
uridine 5^-monophosphate	ME808695	0.90	1.02	0.76	1.32
phenylalanine	ME808681	0.53	0.55	0.61	2.30
indole-3-carboxaldehyde	ME808655	0.53	0.56	0.65	2.26
tyrosylhydroxyproline	ME808627	0.49	0.57	0.65	2.29
2-hydroxyquinoline	ME808564	0.50	0.53	0.48	2.49
1-stearoylglycerophosphoserine	ME808639	0.73	0.48	0.51	2.28
acetyl-L-tyrosine	ME808578	0.65	0.43	0.53	2.39
PE(18:1(9Z)/0:0)	ME808582	0.71	0.43	0.46	2.40
SM(d19:0/18:1(12Z)-2OH(9,10))	ME808649	0.61	1.17	0.31	1.91
PS(15:0/22:0)	ME808640	0.49	1.12	0.28	2.11
PS(24:1(15Z)/15:0)	ME808641	0.55	1.08	0.27	2.09
methioninesulfoxide	ME808664	0.37	0.92	0.55	2.16
N-acetyldopamine	ME808636	0.42	1.11	0.51	1.96
N-acetyl-histamine; LC-tDDA; CE20	ME808670	1.94	0.38	1.56	0.12
guanosine	ME808612	1.59	0.95	1.28	0.18
linolenic acid	ME808661	1.82	0.59	1.02	0.57
2^,5^-dideoxyadenosine	ME808646	0.84	0.54	1.98	0.64
beta-glycerophosphate disodium salt hydrate	ME808591	1.02	0.58	2.15	0.26
decanedioic acid	ME808598	0.79	1.06	1.77	0.39
1,4-cyclohexanedicarboxylic acid	ME808561	1.12	1.28	1.45	0.15
4-hydroxyacetophenone	ME808584	1.01	1.18	1.42	0.39
methyl p-hydroxybenzoate	ME808652	1.30	0.96	1.68	0.07
lubiprostone	ME808624	1.16	0.90	1.82	0.12
suberic acid	ME808685	1.16	1.04	1.76	0.04
talaromycin A	ME808629	1.12	0.78	1.81	0.29
2-hydroxyoctanoic acid	ME808563	1.15	0.94	1.56	0.35
tetradecanedioic acid	ME808579	1.26	0.88	1.62	0.24
ETHANOLAMINE PHOSPHATE	ME808602	1.54	0.84	0.88	0.74
citric acid	ME808596	1.44	0.76	1.01	0.79
uridine 2^,3^-cyclic phosphate	ME808623	1.42	0.84	0.93	0.81
cis-aconitic acid; LC-tDDA; CE10	ME808595	1.54	0.70	1.14	0.63
2^-deoxyguanosine monohydrate	ME808599	1.46	0.67	1.34	0.53
4-O-alpha-D-galactopyranuronosyl-D-galacturonic acid	ME808634	1.34	0.81	1.26	0.59
xanthosine dihydrate	ME808697	1.39	0.81	1.31	0.49
gamma-glutamylleucine	ME808605	1.10	0.95	1.27	0.68
D-glucosamine-6-phosphate	ME808647	1.38	1.02	1.00	0.61
3-oxododecanoic acid	ME808621	1.21	1.00	1.19	0.59
D-glucuronic acid sodium salt monohydrate	ME808609	1.31	0.96	1.14	0.58
pelargonidin 3-rhamnoside 5-glucoside	ME808631	0.79	1.26	1.16	0.78
pipecolic acid	ME808682	0.94	1.41	0.85	0.79
glutaric acid	ME808610	0.85	1.43	0.98	0.75
traumatic acid	ME808580	0.92	1.30	1.04	0.74
pyridoxamine dihydrochloride	ME808683	0.99	0.69	1.19	1.13
cis-4-hydroxycyclohexylacetic acid	ME808618	0.98	0.98	1.13	0.90
L-cystine	ME808617	0.94	1.13	1.08	0.85
L-asparagine	ME808589	0.92	1.08	1.13	0.87
N-acetyl-DL-glutamic acid	ME808669	0.88	1.13	1.14	0.86
adenosine 5^-monophosphate disodium salt	ME808586	1.02	1.13	0.96	0.89
D-ornithine monohydrochloride	ME808600	1.04	1.12	0.95	0.89
NAD	ME808671	1.03	1.16	0.96	0.84
nicotinamide adenine dinucleotide hydrate	ME808592	1.05	1.15	0.94	0.86
2-aminoadipic acid	ME808650	1.14	1.10	1.08	0.68
N-acetyl-L-aspartic acid	ME808668	1.14	1.08	1.10	0.68
phenylpropionylglycine	ME808619	1.07	1.00	1.16	0.77
indole-3-acetic-acid-O-glucuronide	ME808638	1.12	1.01	1.07	0.80
D-phenylalanine-d5	ME808601	1.05	1.05	1.07	0.84
gluose	ME808613	1.09	1.05	1.03	0.83
biopterin	ME808576	1.23	0.76	1.18	0.82
N2,N2-dimethylguanosine	ME808666	1.26	0.80	1.11	0.82
12-hydroxydodecanoic acid	ME808674	0.98	0.81	1.22	0.98
alpha-N-acetyl-glutamate	ME808588	1.11	0.82	1.20	0.87
adenine hydrochloride hydrate	ME808585	1.14	0.76	1.17	0.93
gamma-glu-leu	ME808581	1.10	0.81	1.13	0.96
gamma-glutamylmethionine	ME808606	1.06	0.88	1.11	0.95
(R)-(+)-2-pyrrolidone-5-carboxylic acid	ME808676	1.15	0.89	1.05	0.90
glycerophosphoglycerol	ME808642	1.21	0.81	0.86	1.12
ferulic acid-d3	ME808604	0.95	1.00	1.00	1.06
methionine-methyl-D3	ME808663	1.04	1.00	1.00	0.96
N1-methylguanosine; LC-tDDA; CE30	ME808665	1.06	0.97	0.96	1.00
glycerylphosphorylethanolamine	ME808615	1.10	0.97	0.88	1.06
sodium gluconate	ME808607	1.20	0.88	0.93	0.99
taurine	ME808686	1.10	0.88	0.99	1.03
2-hydroxy-3-methylpentanoic acid	ME808562	0.49	1.13	1.60	0.78
10-hydroxydecanoic acid	ME808575	0.82	0.84	1.56	0.78
isoxanthopterin	ME808659	0.89	0.62	1.54	0.94
3-hydroxysebacic acid	ME808571	0.59	1.56	1.44	0.42
homovanillic acid	ME808654	0.56	1.73	1.34	0.37
4-Hydroxy-3-methoxycinnamic acid	ME808603	0.61	1.62	1.67	0.10
4-hydroxy-6-methyl-3-(1-oxobutyl)-2H-pyran-2-one	ME808635	0.85	1.46	1.53	0.16
2^-o-Methyluridine	ME808565	1.44	1.17	1.01	0.38
N-methyl-L-glutamic acid	ME808673	1.37	1.30	0.96	0.37
gluconolactone	ME808608	1.20	1.26	1.08	0.45
biotin	ME808593	1.17	1.45	1.11	0.27
thymidine	ME808687	1.22	1.33	1.16	0.29
L-glutathione reduced	ME808611	1.24	1.69	0.87	0.20
glutathione	ME808616	1.20	1.58	0.92	0.30
inosine	ME808656	1.25	1.49	0.87	0.39
2-ethylsuberic acid	ME808637	1.07	1.80	1.08	0.05
orotic acid monohydrate	ME808675	1.14	1.58	1.12	0.16
4-hydroxybenzaldehyde	ME808573	0.09	2.03	0.07	1.80
3,4-dihydroxyphenyl ethanol	ME808583	0.14	3.05	0.09	0.72
3-methylcatechol	ME808572	0.19	2.93	0.14	0.74
L-aspartic acid	ME808590	0.73	1.67	0.56	1.04
3-hydroxycinnamic acid	ME808569	0.37	2.23	0.69	0.72
p-coumaraldehyde	ME808678	0.38	2.49	0.64	0.49
homogentisic acid	ME808653	0.94	2.10	0.60	0.37
3-hydroxy-1-(4-hydroxyphenyl)propan-1-one	ME808567	0.67	2.07	1.01	0.25
p-coumaryl alcohol	ME808679	0.64	1.81	1.11	0.44

Factors:

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

Data matrix