Metabolomics Workbench : NIH Data Repository : Analyze Studies

Data for ST002551

(Analysis AN004200): Average values per metabolite and experimental factor (Units:µg/ml)

Metabolite structure	F1	F2
(10S)-Juvenile hormone III diol	0.76	1.24
10-Undecenoic acid	2.77	4.01
11-Aminoundecanoic acid	1.89	1.72
11-cis-Retinol	1.69	2.84
11-Nitro-1-undecene	2.00	2.43
1-(1Z,9Z-octadecadienyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexa...	1.51	3.65
1,2-Dideoxy-3-C-methyl-1-(2,5,5,8a-tetramethyl-1,4,4a,5,6,7,...	0.77	1.34
1-(3_4-dimethoxylphenyl)ethane-1_2-diol	4.15	5.13
1_3_5-trimethoxybenzene	14.43	30.74
1,3,7-Octanetriol	112.07	115.18
1,3-Bis[(9Z,12Z)-9,12-octadecadienoyloxy]-2-propanyl (6Z,9Z,...	0.00	0.00
1,3-Bis(tetradecanoyloxy)-2-propanyl (4Z,7Z,10Z,13Z,16Z)-4,7...	0.00	0.00
1-[(3-Carboxypropyl)amino]-1-deoxy-beta-D-fructofuranose	0.69	0.38
13(S)-HOTrE	4.03	11.94
1,4-Anhydro-6-O-dodecanoyl-2,3-bis-O-(2-hydroxyethyl)-D-gluc...	17.41	30.33
1_4-Diaminobutane;Putrescine	0.19	0.22
1-[5-(4-Hydroxy-2-butanyl)-2-methyltetrahydro-2-furanyl]-4-m...	0.34	0.76
1_5-Anhydro-D-mannitol	0.03	0.03
15-Keto prostaglandin F2α	2.38	7.18
(15R,21S)-18,21,22-Trihydroxy-3-methyl-18-oxido-12-oxo-13,17...	0.00	0.00
1_6_6-Trimethyl-2_7-dioxabicyclo[3.2.2]nonan-3-one	4.73	9.66
16-Heptadecyne-1,2,4-triol	0.58	0.98
1,7-Dihydroxy-6,6-dimethyl-3,5,5a,6,7,8,9a,9b-octahydronapht...	2.67	4.93
1_8-Diazacyclotetradecane-2_9-dione	213.81	518.76
1-Amino-1-deoxy-scyllo-inositol	0.00	0.00
1-Amino-1-deoxy-scyllo-inositol4-phosphate	0.00	0.00
1-Aminocyclopropane-1-carboxylate	2.37	1.62
1-(beta-D-Ribofuranosyl)-1,2-dihydropyrimidine	0.22	0.42
1-Cyclohexenecarboxylic Acid	0.00	0.00
1-Deoxy-D-altro-heptulose7-phosphate	5.51	7.67
1-deoxynojirimycin	0.38	0.24
1-heptadecanoyl-sn-glycero-3-phosphocholine	0.00	0.00
1-hexadecanoyl-2-[(11Z)-octadec-9-enoyl]-sn-glycero-3-phosph...	2.69	3.98
1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine	0.00	0.01
1-icosanoyl-sn-glycero-3-phosphocholine	0.00	0.00
1-Methyladenosine	0.11	0.21
1-Nitrosopiperidine	0.02	0.01
1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1^-...	2.25	3.71
1-Oleoyl-2-Stearoyl-sn-Glycero-3-Phosphocholine	0.22	0.41
1-Oleoylglycerophosphocholine	0.05	0.12
1-Oleoyl-rac-glycerol	0.76	1.34
1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine	0.05	0.11
1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine	0.60	1.12
1-Palmitoyl-2-oleoyl-sn-glycerol	5.26	6.35
1-Palmitoylglycerophosphocholine	0.08	0.27
1-Phenyl-2-hexanone	1.87	3.63
1-Pyrroline-4-hydroxy-2-carboxylate	0.60	0.26
(1S_4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate	10.77	9.91
1-Stearoyl-2-hydroxy-sn-glycero-3-PE	0.00	0.01
1-stearoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine zwitter...	0.00	0.01
1-stearoyl-2-oleoyl-sn-glycero-3-phosphoserine	0.01	0.03
2-(1-benzofuran-2-yl)-4H-chromen-4-one	0.57	0.67
2-(1-Chloro-2-hydroxy-2-propanyl)-5-hydroxy-11-methyl-1,11-d...	0.02	0.03
2,2^-[1,2-Propanediylbis(oxy)]diethanol	8.35	9.21
2-({2-[(1,3-Dimethyl-1H-pyrazol-5-yl)amino]-2-oxoethyl}sulfa...	1.25	3.32
2-[(2-Amino-2-carboxyethyl)thio]butanedioic acid	0.03	0.04
2-(2-Carboxyethyl)-4-methyl-5-pentyl-3-furoic acid	1.81	3.10
2,2^-Iminodipropan-1-ol	0.01	0.01
2_2^-Iminodipropanoate	0.62	0.63
2_3_5-Trihydroxytoluene	0.51	0.89
2_3-Dimethylmaleate	0.65	0.86
2,3-Dimethylquinoxaline	0.01	0.02
2,3-Dinor-6-keto-PGF1?	0.46	0.71
2-[(3S)-1-(Cyclohexylmethyl)-3-pyrrolidinyl]-5-(1-methyl-1H-...	219.70	259.00
2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol	2.38	3.62
2,4,5-Trimethyl-1,3-thiazole	5.51	6.05
2-(4-chlorophenyl)-4-(methylthio)-6-(2-thienyl)pyrimidine	0.70	0.78
2,4-Diacetamido-2,4,6-trideoxy-alpha-D-mannopyranose	0.01	0.03
2^_4^-Dihydroxyacetophenone	0.92	1.49
2,4-dihydroxyheptadec-16-ynyl acetate	0.56	1.43
2-(4-Hydroxyphenyl)ethanol(Tyrosol)	9.33	19.91
2-(4-Nonylphenoxy)ethanol	0.58	0.90
2,4-OCTADIENAL	7.17	14.40
2,5,5,8a-Tetramethyl-3,5,6,8a-tetrahydro-2H-chromen-3-ol	4.32	9.95
2_5-Dihydroxybenzaldehyde	0.56	0.51
2,5-Dimethyl-4-ethoxy-3(2H)-furanone	4.82	7.97
2-[(5Z)-5-tetradecenyl]cyclobutanone	3.58	5.27
2_6-Diaminoheptanedioicacid	0.45	0.69
2,6-Dimethoxy-4-propylphenol	5.42	10.33
(2,7-Dimethyloctahydro-1H-cyclopenta[c]pyridin-4-yl)methanol	6.58	10.32
2-Acetyl-3a,4-dimethyl-1,3a,4,6,7,7a-hexahydro-5H-inden-5-on...	1.46	2.67
2-(alpha-D-Galactosyl)-sn-glycerol3-phosphate	0.00	0.01
2-Arachidonoylglycerol	0.24	1.27
2-(carboxymethoxy)-4-methoxybenzoic acid	0.59	0.54
(2E)-2-[(Carboxymethyl)amino]-2-octenoic acid	1.56	4.10
2-(ethylthio)-6-methyl-5-(2-methylallyl)pyrimidin-4-ol	0.13	0.12
2-Fluoro-6-(4-methoxyphenoxy)benzonitrile	0.17	0.68
2-Hexenoylcarnitine	0.03	0.03
2-hydroxycaproicacid	13.17	14.72
2-Hydroxyethyl 12-hydroxyoctadecanoate	1.15	1.60
2-(Hydroxymethyl)-1-methyl-3,4,5-piperidinetriol	0.00	0.00
2-Hydroxy-N-(2-hydroxyethyl)propionamide	0.01	0.02
2-Hydroxyphenethylamine	13.40	10.11
2-Isocapryloyl-3R-hydroxymethyl-gamma-butyrolactone	1.46	2.65
2-mercapto-4,6-dimethylnicotinonitrile	276.36	264.94
2-Mercaptoethanol	36942.18	41183.57
2-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-4-one	0.00	0.02
2-Methyl-4-ethyl-5-propylthiazole	0.01	0.01
2-Methyl-6-oxohepta-2_4-dienal	10.54	20.72
2-methylbutyrylcarnitine	18.83	34.77
2-Methylcholine	0.05	0.03
2-Methylfuran	5.20	8.69
2-Methylnicotinamide	0.01	0.01
2-Methylserine	0.00	0.02
2-Methylthiazolidine	0.07	0.19
2-(Methylthio)ethanol	28.81	31.80
2-NP-AHD	0.01	0.01
2-Oxo-delta3-4_5_5-trimethylcyclopentenylacetate	11.14	24.36
2-Oxooctadecanoicacid	0.73	1.37
2-Oxovalericacid	0.54	0.87
2-phenyl-4H-furo[2,3-h]chromen-4-one	0.74	0.91
2-Phenyl-4-pentenal	0.92	1.79
2-Phenylethanol	26.10	56.87
(2R)-1-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaenoyloxy]...	0.00	0.00
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(1Z)-1-o...	1.72	3.89
(2R)-3-(Icosanoyloxy)-2-[(9Z,12Z)-9,12-octadecadienoyloxy]pr...	0.01	0.01
(2R_3S)-2_3-Dimethylmalate	0.00	0.01
(2R_4S)-2_4-Diaminopentanoate	0.06	0.10
(2S)-2-Amino-8-hydroxyoctanoic acid	0.01	0.01
(2S)-2-Piperazinecarboxylic acid	0.05	0.13
3-(3_4-Dihydroxypyridin-1-yl)-L-alanine	0.72	0.69
3-[(3-Hydroxydecanoyl)oxy]-4-(trimethylammonio)butanoate	0.00	0.00
3-[(3-Hydroxyheptanoyl)oxy]-4-(trimethylammonio)butanoate	1.11	3.09
3,4,3^-Tri-O-methylellagic acid	0.01	0.01
3,4,5-trimethoxyhydrocinnamic acid	0.82	1.38
3,4-Diaminopyridine	0.94	1.73
3,4-Dihydrocadalene	0.11	0.54
3,4-Dihydroxy-12,13-epoxytrichothec-9-en-15-yl acetate	0.61	0.85
3,4-Dimethyl-5-pentyl-2-furanpropanoic acid	2.25	5.12
3,4-Methylenesebacic acid	5.70	11.73
3-{5-[(2S)-2-Amino-2-carboxyethyl]-1H-imidazol-2-yl}-1-carbo...	8.69	12.86
3,5-Dimethyl-1-phenylpyrazole	70.05	101.51
3,6,9,12-tetraoxatridecan-1-ol	9.41	8.25
3alpha_11beta-Dihydroxy-5alpha-androstane-17-one	0.43	0.69
3-BHA	5.74	11.03
3-Butyn-1-al	0.25	0.40
3-Dehydrocarnitine	0.18	0.17
3-Dehydroxycarnitine	0.03	0.11
3-Deoxy-D-glycero-hexitol	0.12	0.06
3-Guanidinopropanoate	4.77	9.56
3-Hydroxy-2-methyl-4-pyrone	0.05	0.05
3-Hydroxy-3-[(3-methylbutanoyl)oxy]-4-(trimethylammonio)buta...	0.04	0.06
3-Hydroxycyclohexanone	16.80	26.50
3-Hydroxydetomidine	0.26	0.30
3-hydroxyoctanoylcarnitine	0.66	1.65
3-(Isothiocyanatomethyl)-1H-indole	5.82	6.39
3-Mercapto-3-methylbutan-1-ol	0.45	0.47
3-Methoxy-4-hydroxyphenylethyleneglycol	0.81	1.48
3-Methylbut-2-enal	1.16	2.03
3-Methylcatechol;3-Methyl-1_2-benzenediol	3.73	7.39
3-Methylhistamine	3.61	3.04
3-O-(3,6-Anhydro-alpha-D-galactopyranosyl)-4-O-sulfo-alpha-D...	0.03	0.02
3-Oxododecanoicacid	1.20	2.51
3-oxopalmitic acid	0.77	1.05
3-Oxotetradecanoic acid	0.65	0.76
3-(Pyrazol-1-yl)-L-alanine	0.53	1.09
(3R)-beta-Leucine	13.09	34.80
3-Ureidoisobutyrate	0.00	0.00
4a-Carbinolaminetetrahydrobiopterin	0.01	0.03
4-Acetamido-2-amino-6-nitrotoluene	1.99	2.13
(4-amino-1,2,5-oxadiazol-3-yl)(1-pyrrolidinyl)methanone oxim...	10265.41	11197.05
4-Amino-4-deoxypentopyranose	0.09	0.19
4-Coumarylalcohol	0.01	0.02
(4E)-2-Oxohexenoicacid	1.92	2.95
{4-Ethyl-6-[(3E)-2-ethyl-3-hexen-1-yl]-6-methyl-1,2-dioxan-3...	0.42	0.63
4-Guanidinobutanal	0.07	0.11
4-Guanidinobutanamide	0.00	0.00
4-Guanidinobutanoate	0.01	0.01
4-Guanidinobutyric acid	1.68	1.79
4-(Heptyloxy)benzoic acid	2.57	7.08
4-Hydroxy-2-butynal	0.31	0.66
4-(Î²-D-Glucopyranosyloxy)-2,5-dimethyl-3(2H)-furanone	2.52	2.29
4-Indolecarbaldehyde	0.00	0.01
4-Methylene-L-glutamine	5.59	11.20
4-Octyl-1,3-cyclopentanedione	3.78	5.48
4-Octylphenol	1.06	1.72
4-oxo-5-phenylpentanoic acid	16.97	16.44
4-Oxocyclohexanecarboxylate	1.56	2.23
4-Pentylaniline	0.94	2.31
(4R,5S,9S,10R,12S,13S)-1,5,9-Trimethyl-11,14,15,16-tetraoxat...	2.27	3.46
(4S)-4-[(2E,4Z)-2,4-Decadienoyloxy]-4-(trimethylammonio)buta...	0.31	0.54
4-(trifluoromethyl)nicotinic acid	4.85	3.14
4-Undecylbenzenesulfonic acid	0.99	1.10
(4Z,6E)-1,7-Diphenyl-4,6-heptadien-3-one	0.00	0.00
5,6-Bis(hydroxymethyl)-1,1,4a-trimethyl-1,2,3,4,4a,5,8,8a-oc...	1.50	3.05
5-(6-hydroxy-6-methyloctyl)-2,5-dihydrofuran-2-one	61.08	56.58
5,8-dihydroxy-10-methyl-5,8,9,10-tetrahydro-2H-oxecin-2-one	14.37	17.64
5-chloro-1-isopropyl-2-[(1-methyl-4-nitro-1H-imidazol-5-yl)s...	0.41	0.36
5-Methylcytosine	0.18	0.10
5^-Methylthioadenosine	0.34	0.33
5-Pentyl-2(5H)-furanone	9.35	15.72
(5R,6Z,8E,10E,12S,14Z)-5,12,20,20,20-Pentahydroxy-6,8,10,14-...	0.39	0.43
5-Valerolactone	8.73	14.73
(5Z_9E_14Z)-(8xi_11R_12S)-11_12-Epoxy-8-hydroxyicosa-5_9_14-...	0.45	0.88
6,7,8-trimethoxy-3-phenyl-2-thioxo-1,2,3,4-tetrahydroquinazo...	0.05	0.02
6-Acetamido-3-aminohexanoate	0.04	0.05
6-(Dimethylamino)-2-fluoro-3-(hydroxyiminomethyl)benzonitril...	8.29	10.95
[6]-Gingerol	1.57	2.79
(+/-)-6-Hydroxy-3-oxo-alpha-ionol	3.97	7.04
(+/-)-6-Hydroxy-3-oxo-alpha-ionone	2.40	4.46
6-Hydroxy-5-methyl-4,11-dioxoundecanoic acid	1.24	4.23
6-Methyl-1H-benzimidazol-5-ol	15.42	15.28
6-Methyl-7,8-dihydroimidazo[1,5-c]pyrimidine-5(6H)-thione	0.01	0.01
6-Methylindole	0.00	0.00
6-Methylnicotinamide	0.01	0.02
6-methyltetrahydropterin	0.06	0.06
(6R,8Z)-6-Hydroxy-3-oxo-8-tetradecenoic acid	1.18	2.11
6-(tert-butyl)thieno[3,2-d]pyrimidin-4(3H)-one	71.03	73.39
(6Z)-Octadecenoicacid	1.01	1.65
7-{[(1S,4aS,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene...	0.16	1.04
7-deoxyloganetin	3.65	6.11
7-Methyl-2,6,9,12-tetraoxahexadecane	2.01	1.99
7-oxoheptanoate	0.31	0.58
8-Amino-7-oxononanoate	0.02	0.02
8-Hydroxyclomipramine	0.28	0.22
8-methylthiooctanaldoxime	1.00	1.06
(9E)-11-Hydroxy-9-tridecenoic acid	1.10	1.57
(9R)-6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6lambda5-p...	0.01	0.02
(9Z)-Tetradecenoicacid	1.73	4.62
Acetohydroxamic acid	0.71	1.20
Acetylcholine	9.00	11.50
Acetyl-L-carnitine	52.49	125.79
Acetyllycopsamine	0.97	1.07
Acetyl-β-methylcholine	24.04	50.90
Acipimox	2.68	5.62
Adenine	1.11	0.29
Adenosine	0.16	0.01
afegostat	0.18	0.33
Allopurinol	5.37	5.56
Allylcyclohexane	0.36	0.57
Allyl cyclohexylacetate	3.18	7.10
AMPA	0.01	0.02
Anisole	3.12	6.89
Anserine	0.09	0.15
APV	0.18	0.39
ARECOLINE	3.35	2.90
Arenediol	12.27	18.79
Arg-Glu	0.00	0.01
arg-leu	0.19	0.59
asn-val	0.22	0.42
Asparagine	0.54	1.39
Aspartyl-L-proline	0.07	0.08
Azelaicacid	0.58	1.07
Benserazide	0.19	0.09
Benzonitrile	0.41	0.69
Benzyl(2R_3S)-2-methyl-3-hydroxybutanoate	2.85	6.42
beta-Glycerophosphoricacid	0.12	0.16
Bethanidine	6.24	8.71
bis(1L-myo-inositol) 3,1^-phosphate 1-phosphate	0.03	0.01
Bis(2-ethylhexyl)adipate	9.66	15.78
(-)-Borneol	4.50	7.00
Botrydial	4.43	6.87
b-Skytanthine	2.04	2.51
butanethiol	0.11	0.15
Butenylcarnitine	0.00	0.00
butoctamide	46.51	45.99
Butyl isothiocyanate	0.99	1.05
butyrin	0.34	0.67
Butyryl-L-carnitine	0.06	0.06
BX9286000	0.34	0.43
(+/-)-Camphoric acid	4.18	5.76
Caprolactam	4810.47	8388.08
Capryloylglycine	5.31	4.59
Capsidiol	1.92	3.30
Carbimazole	0.01	0.00
Carnosine	0.08	0.20
Catechol;1_2-Dihydroxybenzene	9.25	15.92
Ceramide (d18:1/25:0)	0.06	0.06
chavicol	8.77	10.84
Chelirubine	0.25	0.16
Choline	23.03	16.13
cis-2-Carboxycyclohexyl-acetic acid	4.52	6.51
cis-3-Hexenyl Pyruvate	7.10	16.14
Civetone	1.00	1.65
Coniferylalcohol	3.07	4.96
Coniferylaldehyde	0.01	0.02
Corraton	0.00	0.00
Creatine	817.95	919.15
Crotono-betaine	0.17	0.16
CU5774000	8.59	16.14
Cuminaldehyde	1.35	3.11
Cyclohexanecarboxylic acid	3.93	5.85
Cyprodenate	21.51	23.10
Cystathionine	0.02	0.02
Cytarabine	0.05	0.06
Cytidine;1-beta-delta-Ribofuranosyl-Cytosine	0.00	0.00
Cytosine	0.09	0.12
D-1-Aminopropan-2-olO-phosphate	0.02	0.02
D-2-Amino-hexano-6-lactam	0.30	0.73
DA9185000	28.14	39.20
D-Ala-D-Ala	0.00	0.01
Dambonitol	0.67	0.85
D-Arginine	2.71	4.37
D-(-)-Aspartic acid	0.08	0.05
DD9275000	318.14	403.77
Decylubiquinol	0.42	0.69
Deoxycytidine	1.28	1.67
D-Erythrose4-phosphate	0.03	0.07
Desalkylflurazepam-d4	0.33	0.37
DG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2]	8.19	7.93
D-Galactosyl-3-N-acetyl-beta-D-galactosamine	0.01	0.01
D-Glutamate	0.01	0.00
Dibutyl malate	0.78	1.20
Diethanolamine	0.07	0.07
Digallate	0.04	0.09
Dihydrojasmone	1.67	3.54
Dihydrophaseicacid	2.30	3.86
dihydropyranone	5.11	9.76
Dihydrothymine	6.74	5.49
dilauroyl peroxide	0.31	0.49
Dimefox	0.96	1.14
Dimethylaminopropionylphenothiazine	31.91	38.49
dinotefuran	0.11	0.09
DL-Arginine-6C13	25.00	25.00
DL-Dipalmitoylphosphatidylcholine	0.03	0.07
DL-Glutamine	120.93	192.69
DL-Serine-13C3	25.00	25.00
DL-Tryptophan	0.24	0.42
D-myo-Inositol1_2-cyclicphosphate	0.74	0.89
DOG	0.40	1.62
D-(+)-Pyroglutamic Acid	89.22	141.88
DROMOSTANOLONE TETRAHYDROPYRANYL ETHER	0.54	0.85
Drostanolone propionate	1.25	2.14
D-Serine	1.33	2.71
EGTA	0.02	0.01
EJ4025000	0.00	0.00
Elaeokanine C	18.58	14.76
EPK	0.18	0.30
Estratetraenol;1_3_5(10)_16-ESTRATETRAEN-3-OL	2.07	2.03
Ethionine	1.52	6.23
ethirimol	0.00	0.01
Ethyl3-oxohexanoate	0.53	1.45
Ethyl furfuryl ether	4.74	8.51
Ethylvanillin propylene glycol acetal	2.30	4.73
Etofenprox	0.03	0.02
[FA(16:2)]N-hexadecyl-ethanolamine	2.76	5.02
[FA(18:0)]12R_13S-epoxy-9Z-octadecenoicacid	1.29	2.24
[FA(18:1)]9Z-Octadecen-12-ynoicacid	0.96	1.89
[FA(18:2)]9Z_11E-octadecadienoicacid	0.72	1.16
[FA(18:4)]6Z_9Z_12Z_15Z-octadecatetraenoicacid	1.24	3.05
[FA(20:0)]11Z-eicosenoicacid	1.04	1.90
[FA(20:4)]5Z_8Z_11Z_14Z-eicosatetraenoicacid	1.69	2.84
[FA(6:1)]2-hexenal	6.10	10.65
[FAamino(5:0)]2S-amino-pentanoicacid	35.94	70.38
[FAoxo(12:0)]12-oxo-10E-dodecenoicacid	4.21	10.43
[FAtrihydroxy(18:0)]9_10_13-trihydroxy-11-octadecenoicacid	2.27	8.49
Fenipentol	0.00	0.00
frescolat ML	0.03	0.04
gamma-Coniceine	0.11	0.05
gamma-Glu-gln	0.00	0.00
Gamma-Glutamylcysteine	0.05	0.04
gamma-Glutamyl-gamma-aminobutyraye	0.72	0.69
gamma-L-Glutamylputrescine	0.00	0.01
Geosmin	0.61	0.84
Gingerdione	1.08	2.33
Glucose 1-phosphate	0.06	0.08
Glucosylceramide (d18:1/24:1(15Z))	1.97	3.60
glu-ser	0.00	0.01
Gly-Arg	0.00	0.01
Glycerol phenylbutyrate	0.51	0.98
Glycerophosphoglycerol	0.12	0.15
glycidyl oleate	2.07	3.10
glycyclamide	0.00	0.00
Gramine	0.00	0.00
Griseofulvin	0.00	0.00
GU6490000	3.77	5.12
Guancidine	0.00	0.00
Guanidineacetic acid	0.34	0.86
Guanidineaceticacid;Guanidoaceticacid	0.03	0.11
Guanidinosuccinic acid	0.01	0.02
Guanine	0.13	0.07
Guanosine	0.13	0.08
Guanylurea	0.01	0.00
GW7340000	9.01	18.77
H3HP-DO3A	0.03	0.02
HEPES	0.02	0.02
HEPTACHLOR	0.00	0.00
Heptenal	2.14	4.09
hexahomomethionine	5.67	7.58
Hexanoylcarnitine	1.17	2.71
Hexanoylglycine	0.69	0.56
Hexylamine	66.44	69.64
Histamine	2.75	14.52
his-tyr	0.12	0.30
HO-dPEG8-OH	15.89	21.32
Homoanserine	0.01	0.01
Homoarginine	1.43	3.39
Hordenine	0.00	0.00
hydroprene	0.58	0.98
Hydroxyhexanoycarnitine	0.04	0.04
Hydroxymethylphosphonate	0.48	0.74
Hypotaurine	0.27	0.77
Hypoxanthine	17.37	19.99
ibufenac	3.29	6.04
IE1225000	0.01	0.01
Imetit	0.47	0.41
Inosine	1.25	1.22
Inosinic acid	0.09	0.61
ionene	1.46	2.42
Isoleucine - 6C13	1031.97	1227.07
KJ9800000	84.77	90.78
L-Alanyl-3-{[(2E)-4-amino-4-oxo-2-butenoyl]amino}-L-alanine	0.00	0.01
L-Carnitinamide	0.62	1.01
L(-)-Carnitine	366.26	525.88
L-(+)-Citrulline	9.40	21.72
L-Ergothioneine	1.55	3.70
Leucylasparagine	0.02	0.06
Leucylproline	1.89	9.71
Leucyltyrosine	0.00	0.01
leu-gln	0.58	0.03
Leu-Pro(Leucyl-Proline)	0.14	0.33
Leu-Val	0.35	0.56
Levamisole	1830.02	1961.90
Levetiracetam	0.01	0.04
L-gamma-Glutamyl-L-leucine	0.04	0.11
L-Glutamic acid	48.82	24.97
L-Glutaminyl-L-proline	0.11	0.20
L-Glutathione (reduced)	1.93	2.49
L-Histidinol	1.90	2.46
LINALYL BUTYRATE	1.25	2.50
L-Lysine	0.27	0.58
L-(-)-Methionine	0.16	0.42
L-MethionineS-oxide	0.15	0.26
L-N2-(2-Carboxyethyl)arginine	0.07	0.16
L-Octanoylcarnitine	0.57	0.93
LQ1825000	19.07	23.86
L-Threonine	2.59	5.69
L-Tyrosine	0.10	0.26
L-Tyrosinemethylester	0.01	0.02
(-)-Lupinine	0.01	0.01
LYSINOALANINE, (S,R)-	0.00	0.00
lys-leu	1.25	2.16
Maleamate	0.01	0.01
mebutamate	0.25	0.41
Melagatran	15.59	17.35
mercaptopurine	2.59	2.19
Mesitol	6.39	11.24
Metanephrine	2.83	3.27
methionol	7.41	7.24
Methohexital	0.00	0.00
Methyl 11-(6-oxabicyclo[3.1.0]hex-2-yl)undecanoate	0.39	0.83
methyl 3,5-ditert-butyl-4-hydroxybenzoate	0.98	1.31
Methyl 5-hydroxybenzimidazolecarbamate	1.69	1.69
Methylazoxymethanol	1.66	1.70
Methyl bisnorbiotinyl ketone	0.01	0.01
?-(Methylenecyclopropyl)glycine	0.01	0.00
methyl isoquinoline-3-carboxylate	0.01	0.01
Methyl vinyl ketone	5.42	6.04
methyprylon	3.04	2.71
METIPRANOLOL	0.00	0.00
MFCD00025555	0.11	0.28
MFCD00037215	0.03	0.06
MFCD00051313	2.21	3.30
MFCD00130070	4.50	7.00
MFCD00133175	0.47	1.05
MFCD00153469	11.32	11.89
MFCD10567365	1.01	1.94
MFCD22416941	0.01	0.01
N1-(3-Pyridylmethyl)-3-(3,4-dichlorophenyl)acrylamide	0.43	0.39
N1-(4-methylidene-3-thia-1-azaspiro[4.5]dec-2-yliden)-2-chlo...	0.30	0.47
N2-(4,5-dihydro-1,3-thiazol-2-yl)-5-nitro-2-furamide	0.12	0.30
N2-Acetyl-L-aminoadipate	0.02	0.07
N2-(D-1-Carboxyethyl)-L-lysine	0.00	0.00
N-{3-[(4-Acetamidobutyl)amino]propyl}acetamide	0.03	0.05
N3,N4-Dimethyl-L-arginine	0.65	3.38
N-{4-[(2R,3R)-3-(Hydroxymethyl)-4-methyl-5-oxo-2-morpholinyl...	8.72	8.17
N-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)FORMAMIDE	0.00	0.00
N5-Ethyl-L-glutamine	0.23	0.55
N^5^-formyl-N^5^-hydroxy-L-ornithine	0.19	0.37
N5-(L-1-Carboxyethyl)-L-ornithine	0.03	0.07
N^-{6-[(5-chloro-3-pyridyl)oxy]-3-pyridyl}-N,N-dimethylimino...	0.83	1.23
N-(6-Aminohexanoyl)-6-aminohexanoate	0.01	0.02
N6,N6-Dimethyllysine	0.00	0.01
N6,N6,N6-Trimethyl-L-lysine	0.04	0.12
N-Acetyl-1-aspartylglutamic acid	8.83	1.40
N-Acetyl-beta-D-galactosamine	0.11	0.44
N-Acetyl-beta-D-glucosaminylamine	0.04	0.09
N-acetyl-DL-cysteine	2.31	2.41
N-Acetylglucosaminitol	0.38	0.24
N-Acetyl-L-histidine	0.03	0.03
N-Acetyl-L-methionine	2.23	6.20
N-acetyl(phenyl)cysteine	2.22	2.33
N-Adenylylanthranilate	0.01	0.01
N-alpha-Acetylarginine	0.16	0.28
n-Amylbenzene	1.64	3.54
N-Butyryl-L-homoserinelactone	3.08	3.69
n-heptanoic acid	6.55	6.07
n-Hexanamide	91.32	116.34
N-Hydroxy-2-acetamidofluorene	0.00	0.00
Nicotinamide	625.92	605.84
Nitrosoguvacoline	0.00	0.00
N-lauroylglycine	3.41	3.16
N-Methylhistamine	1.73	2.24
N-Methylisopelletierine	5.67	7.58
N,N-Dimethyl-N-phenylurea	0.00	0.00
N_N-Dimethylsphing-4-enine	0.61	1.56
N-Nitrosodiethylamine	0.01	0.01
NNK	0.17	0.29
N-Nonanoylglycine	4.64	4.05
Nonane-4_6-dione	2.94	4.59
NP-002322	1.51	1.58
NP-003469	2.96	3.92
NP-008952	16.10	36.99
NP-015114	0.68	1.88
NP-020535	0.52	1.03
NP-022068	0.02	0.01
N-Pentacosanoylglycine	0.98	1.98
NPYR	1.59	2.40
N-Ribosylnicotinamide	0.19	0.19
N-Undecanoylglycine	5.60	6.02
O-adipoylcarnitine	6.76	8.68
octinoxate	1.27	1.56
Octyl 6-O-[(4xi)-D-xylo-hexofuranosyl]-alpha-D-glucopyranosi...	1.38	4.87
O-heptanoylcarnitine	0.00	0.00
O-(Hydroxy{2-hydroxy-3-[(9E)-9-octadecenoyloxy]propoxy}phosp...	0.00	0.00
O-Phosphorylethanolamine	0.02	0.05
Oxibendazole	63.54	64.28
Palmitoleicacid	0.52	0.81
Palmitoylcarnitine	0.01	0.02
Palmitoyl sphingomyelin	0.01	0.04
pamaquine	3.67	4.26
Pamoic acid	0.02	0.05
Pantetheine4^-phosphate	0.05	0.08
Pantothenicacid(VitaminB5)	91.60	108.73
paracetamol sulfate	0.00	0.00
PC	0.06	0.17
PC(o-16:1(9Z)/20:0)	0.00	0.00
PEG-4	191.49	213.02
PEG n10	6.04	9.08
PEG n11	3.53	6.29
PEG n5	50.01	51.50
PEG n6	87.99	95.33
PEG n7	46.22	54.54
pentamidine	1.19	1.55
persin	0.33	0.64
phe-ile	0.00	0.01
Phenazone	2.62	3.60
Phenethyl isothiocyanate	1830.02	1961.90
Phenol	0.94	1.11
Phosphonomycin	0.19	0.40
Pimilprost	0.72	0.69
Piperidine	0.12	0.11
Platelet-activating factor	0.04	0.12
Polaris	0.00	0.00
Pregabalin	0.18	0.16
prenylquinone	0.76	1.18
Procollagen5-(D-galactosyloxy)-L-lysine	0.00	0.00
Pro-Hyp	0.04	0.11
Propionylcarnitine	4.43	6.52
Propofol	0.00	0.00
Pro-Pro	0.01	0.02
Propyl (9E)-12-hydroxy-9-octadecenoate	5.96	11.04
p-Xylene	3.26	5.54
Pyrovalerone	0.04	0.13
(R)-2-Methylimino-1-phenylpropan-1-ol	2.06	2.20
(R)-3-Amino-2-methylpropanoate	0.10	0.07
(R)-3-hydroxybutyrylcarnitine	0.04	0.09
(R)-4-Dehydropantoate	1.01	1.24
(R)-Acetoin	15.70	18.03
RI2735000	2.59	1.91
RiboflavinB2	0.00	0.01
Rishitin	2.02	4.27
(R)-Lactaldehyde	0.25	0.41
Ro 20-1724	0.00	0.01
(R)-Pantolactone	3.06	6.45
(S)-(+)-2-Amino-1-propanol	0.96	1.31
(S)-4-Amino-5-oxopentanoate	0.18	0.47
S-Adenosylhomocysteine	1.65	2.30
Salsolinol	3.44	19.34
Sedanolide	6.07	14.17
Selsun	0.66	0.67
ser-arg	0.00	0.02
ser-asp	0.01	0.03
ser-gln	0.01	0.02
SL3675000	0.30	0.76
S-Lactoylglutathione	0.17	0.35
sn-glycero-3-Phosphocholine	47.65	191.88
sn-glycero-3-Phosphoethanolamine	3.26	5.84
[ST(2:0)]5alpha-cholesta-8_24-dien-3beta-ol	0.58	0.90
[ST(2:0)](5Z_7E)-(3S)-9_10-seco-5_7_10(19)-cholestatriene-3_...	0.31	0.83
Stachydrine	0.20	0.33
Stiripentol	0.61	1.54
Styrene	423.92	250.03
Subaphyllin	0.00	0.01
Succinyl proline	0.72	0.69
Sulcatone	2.95	6.28
Sulfanilic acid	0.10	0.06
syringol	6.51	6.83
Taurine	11.49	21.47
Telcagepant	0.00	0.00
tert-Butyl N-[1-(aminocarbonyl)-3-methylbutyl]carbamate	0.00	0.01
Tetradecanedioicacid	1.02	1.76
tetrahomomethionine	0.05	0.03
Tetramethylene sulfoxide	36.54	36.52
Theogallin	0.05	0.07
Thiamine	0.26	0.49
thr-arg	0.07	0.31
Threonylserine	0.02	0.09
Tiagabine	0.81	0.76
Tiglylcarnitine	1.50	4.24
TO0127900	0.18	0.19
trans-3-Indoleacrylic acid	0.25	0.54
Triethanolamine	2.16	2.23
Trigonelline	10.80	24.24
Triisopropanolamine	0.05	0.04
trimethadione	0.00	0.01
Triphenyl phosphate	6.49	1.38
Tris(hydroxymethyl)aminomethane	19.76	19.60
Tropinone	3.20	3.18
Troxipide	0.00	0.00
Tyramineglucuronide	0.00	0.00
UDP-N-acetyl-D-mannosamine	0.00	0.00
undecenal	0.86	1.50
Uracil	0.05	0.05
Uracil - C13,N15	25.00	25.00
Urocanic acid	66.86	84.80
val-arg	0.10	0.41
Valeroidine	0.00	0.00
Valerophenone;1-phenylpentan-1-one	1.91	3.97
Val-Leu	0.00	0.01
Valylvaline	0.03	0.07
Xanthine	0.07	0.08
Xanthommatin	0.02	0.04
Xanthosine	0.01	0.01
Xanthoxin;Methoxsalen	2.87	5.39
XJ5104000	0.01	0.01
XJ6642800	2.37	2.73
YD4593000	0.30	0.61
(Z,E)-9,12-Tetradecadienyl acetate	0.89	1.19
zinniol	3.22	5.46
Zonisamide	3.58	4.50

Factors:

F1	Treatment:Control
F2	Treatment:Crush
F3	Treatment:N/A