Clustering data with hclust algorithm for (Study ST003362)

Reversed phase NEGATIVE ION MODE (Analysis AN005505)
MetaboliteStructureF1F2F3
3-(3,4-Dihydroxyphenyl)-N-(3-oxopropyl)propanamide(13C_1)ME8786283.00NA0.33
2-Hydroxy glutaric acid(13C_1)ME8788260.33NA2.34
2-Acetamido-2-deoxy-D-gluconolactone(13C_5)ME8789471.02NA0.96
Succinate(13C_2)ME8787501.04NA0.96
Methyl 3,5-dinitrosalicylate(None)ME8789551.04NA0.96
Anhalamine*,*5-Methyl-4-(1-pyrrolidinylmethyl)-2-furoic acid(None)ME8786101.04NA0.96
Itaconic acid(None)ME8787831.04NA0.96
2-(Hydroxymethyl)-5-methoxy-4-methyl-1,3-benzenediol(13C_1)ME8789791.04NA0.97
N-Acetyl-L-glutamic acid(13C_1)ME8789061.03NA0.97
Malonic acid(None)ME8787011.03NA0.97
Fumaric acid(None)ME8787311.03NA0.97
cis-Aconitate(13C_2)ME8788821.03NA0.97
4-nitrocatechol(None)ME8788781.03NA0.97
2-Phosphoglycerate (2PG)(None)ME8787171.03NA0.97
3-Hydroxyheptanoic acid(13C_1)ME8789231.03NA0.97
3,6-Dibromopyridazine(None)ME8787281.02NA0.98
L-Tyrosine methyl ester(None)ME8785721.02NA0.98
DL-3-Aminoisobutyric acid*,*L-alpha-Amino-n-butyric acid(13C_3)ME8787701.02NA0.99
Suberic acid(None)ME8789481.01NA0.99
N-Acetyl-L-cysteine(None)ME8788381.01NA0.99
Isocitrate(13C_2)ME8788931.01NA0.99
DL-p-Hydroxyphenyllactic acid(None)ME8789721.01NA0.99
Diethylpyrocarbonate(None)ME8788501.01NA0.99
2-Amino-6-methylsulfonylbenzothiazole(None)ME8789621.01NA0.99
5-(3,4-Dihydroxybenzyl)dihydro-2(3H)-furanone(13C_1)ME8786051.01NA0.99
Methyl tyrosinate(None)ME8785730.99NA1.01
D-(-)-Fructose*,*Hexose(None)ME8788630.99NA1.01
Glutaric acid(None)ME8788220.99NA1.01
(5Z)-5-Decenedioic acid*,*cis-4-Decenedioic acid*,*Decenedioic acid(13C_1)ME8785821.00NA1.01
N-[(2S)-2-Hydroxypropanoyl]-L-leucine(None)ME8789971.00NA1.00
Mesyl anhydride(None)ME8786951.00NA1.00
Fumaric acid(13C_1)ME8787331.00NA1.00
Biacetyl(13C_1)ME8787411.00NA1.00
2-Methyl-2-propanyl 2,5-dioxo-1,3-oxazolidine-3-carboxylate(None)ME8789421.00NA1.00
2-(2-Acetoxy-2-oxoethyl)-2-hydroxysuccinate(None)ME8789631.00NA1.00
2,6-Dichloro-4-(trifluoromethyl)aniline(None)ME8789271.00NA1.00
2,3,4,5,6,7-Hexahydroxyheptanoic acid(13C_1)ME8789251.04NA0.88
(+/-)9-HpODE(None)ME8786771.09NA0.97
P-DMEA(None)ME8787271.09NA0.95
[2,4,6-Trihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]acetic acid*,*Dimethyl (5R,6R)-1-oxo-2,3,4,5,6,7-hexahydro-1H-indene-5,6-dicarboxylate*,*Eugenone*,*Methyl 4-(2,5-dimethoxyphenyl)-4-oxobutanoate(13C_2)ME8786481.10NA0.93
1-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-2,4(1H,3H)-pyrimidinedione(13C_5)ME8789881.12NA0.94
5-ATP*,*ATP(13C_5)ME8785771.11NA0.95
Methyl N,S-dihexanoylcysteinate(None)ME8786641.08NA0.92
L-Glutathione (reduced)*,*Glutathione(None)ME8785861.08NA0.92
Aspartic acid(13C_4)ME8787631.08NA0.92
Azelaic acid(None)ME8789931.08NA0.92
2-Aminothiazole-4-carboxylic acid(None)ME8787291.10NA0.90
Adipic acid(None)ME8788481.10NA0.90
phosphoenolpyruvate (PEP)(None)ME8787021.09NA0.91
4-(4-Ethylphenyl)butanoic acid(None)ME8786291.09NA0.91
(4-hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid(None)ME8786321.09NA0.91
3-Methyl-4H-furo[3,2-c]pyran-4,6(7H)-dione(13C_8)ME8789611.05NA0.95
N-Acetyl-L-cysteine(13C_1)ME8788391.05NA0.95
3-phosphoglycerate (3PG)(13C_1)ME8787181.07NA0.95
β-Alanine*,*Alanine(13C_3)ME8787111.06NA0.94
Phthalic acid(None)ME8789571.06NA0.94
N-(Adamantan-1-ylcarbonyl)alanine(None)ME8786521.06NA0.94
Maleic acid(None)ME8787301.06NA0.94
3-Methyl-4H-furo[3,2-c]pyran-4,6(7H)-dione(None)ME8789561.06NA0.94
Malate(None)ME8787531.06NA0.94
TIQ-A(13C_4)ME8786241.07NA0.93
CMPF*,*Isoamyl Gallate(None)ME8786311.07NA0.93
Butylparaben(None)ME8786091.07NA0.93
3-Methylazelaic acid(None)ME8785901.07NA0.93
Benzoresorcinol(None)ME8786441.07NA0.93
Methyl [(methylsulfonyl)oxy]acetate(None)ME8787671.19NA0.75
NADH(None)ME8786921.16NA0.76
[2,4,6-Trihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]acetic acid*,*Dimethyl (5R,6R)-1-oxo-2,3,4,5,6,7-hexahydro-1H-indene-5,6-dicarboxylate*,*Eugenone*,*Methyl 4-(2,5-dimethoxyphenyl)-4-oxobutanoate(13C_1)ME8786471.22NA0.83
cis-Aconitate(None)ME8788801.18NA0.82
alpha-Ketoglutarate(None)ME8787881.21NA0.79
β-Alanine*,*Alanine(None)ME8787081.20NA0.80
CTP(None)ME8789901.26NA0.81
2-Acetamido-2-deoxy-D-gluconolactone(None)ME8789451.27NA0.73
Aspartic acid(None)ME8787591.25NA0.75
L-Glutathione oxidized(None)ME8786811.25NA0.75
Aspartic acid(13C_2)ME8787611.24NA0.76
TIQ-A(None)ME8786211.23NA0.77
TIQ-A(13C_2)ME8786221.23NA0.77
L-alpha-Aminoadipic acid(None)ME8788561.23NA0.77
3-Hydroxypicolinic acid(None)ME8788761.23NA0.77
Hexanoic acid(13C_1)ME8788591.23NA0.77
alpha-Ketoglutarate(13C_3)ME8787921.08NA0.85
Succinate(13C_1)ME8787491.10NA0.86
2-Hydroxy glutaric acid(None)ME8788251.12NA0.88
Suberic acid(13C_1)ME8789491.12NA0.88
Hexanoic acid(None)ME8788581.13NA0.87
4-Oxoproline(None)ME8787981.13NA0.87
DL-3-Aminoisobutyric acid*,*L-alpha-Amino-n-butyric acid(None)ME8787681.13NA0.87
Taurine(13C_1)ME8786971.16NA0.84
Succinate(None)ME8787481.15NA0.85
4-Hydroxybenzaldehyde(None)ME8789331.15NA0.85
L-gamma-Glutamyl-S-(5,6-dihydroxy-2,3-dihydro-1H-indol-4-yl)cysteinylglycine(None)ME8786731.15NA0.85
4-Nitro-1H-pyrazole-3,5-dicarbohydrazide(None)ME8788101.14NA0.86
[(Methylsulfonyl)oxy]acetic acid(None)ME8787071.14NA0.86
Malate(13C_1)ME8787541.16NA0.92
Diisopropyl 3-hydroxy-1,1-cyclobutanedicarboxylate(13C_1)ME8786381.20NA0.90
Ethylene dodecanedioate(None)ME8786541.24NA0.88
Capryloylglycine(13C_1)ME8785950.89NA1.05
Maleic acid(13C_1)ME8787320.88NA1.08
1-Isopropyl-4-methyl-7,12-dithiaspiro[5.6]dodecane(None)ME8786550.89NA1.07
4-(4-Ethylphenyl)butanoic acid(13C_1)ME8786300.89NA1.08
indole-3-lactic acid(None)ME8786000.92NA1.08
Gluconic acid(None)ME8788650.92NA1.08
Ethyl myristate(None)ME8786660.92NA1.08
Decenedioic acid(None)ME8785800.92NA1.08
2-[(2-Amino-2-carboxyethyl)thio]butanedioic acid(None)ME8789100.92NA1.08
beta-NAD*,*Nicotinamide adenine dinucleotide (NAD)(None)ME8786900.92NA1.08
Taurine(None)ME8786960.91NA1.09
Pyrophosphoric Acid(None)ME8790060.91NA1.09
L-Pyroglutamic acid(None)ME8787990.91NA1.09
alpha-Ketoglutarate(13C_5)ME8787970.91NA1.09
2-(2-oxomorpholino)acetic acid(None)ME8789000.91NA1.09
2,6-Dimethylbenzenesulfonyl Chloride(None)ME8789690.91NA1.09
3-Methyladipic acid(None)ME8789170.90NA1.13
16-Hydroxyhexadecanoic acid(None)ME8786670.91NA1.13
O-{[(2R)-2-(Docosanoyloxy)-3-(pentadecanoyloxy)propoxy](hydroxy)phosphoryl}-L-serine(None)ME8787230.91NA1.12
Valine(None)ME8787740.89NA1.11
Orotidine(None)ME8785700.89NA1.11
Maleic acid(13C_2)ME8787350.89NA1.11
Dimethyl 2-hydroxy-7-methyloctanedioate(None)ME8786180.89NA1.11
4-Pyridoxic acid*,*5-pyridoxic acid(None)ME8789710.89NA1.11
1-Benzothiophen-3-ylacetonitrile(None)ME8785960.89NA1.11
(2E)-3-(3,4-Dimethoxyphenyl)acrylic acid(None)ME8786040.89NA1.11
Phosphoric acid(None)ME8790050.90NA1.10
Indole-3-aldehyde(None)ME8790020.90NA1.10
9-Oxononanoic acid(None)ME8789910.90NA1.10
2-[(Carboxymethoxy)carbonyl]benzoic acid(None)ME8785980.90NA1.10
(2R,3R,4R,5R)-2-(Hydroxymethyl)-5-(4-hydroxyphenyl)-3,4-pyrrolidinediol(None)ME8786110.90NA1.10
Pyruvate(None)ME8786980.93NA1.07
O-{Hydroxy[(2R)-2-(icosanoyloxy)-3-(pentadecanoyloxy)propoxy]phosphoryl}-L-serine(None)ME8787220.93NA1.07
alpha-ketoglutarate(None)ME8787890.93NA1.07
2,2^-Bipyridine-4,4^-dicarboxamide(None)ME8786250.93NA1.07
8-Amino-7-oxononanoic acid(13C_1)ME8789960.93NA1.07
Orotidine(13C_4)ME8785710.94NA1.06
Malate(13C_2)ME8787550.94NA1.06
L-Proline(None)ME8788310.94NA1.06
cis-Aconitate(13C_4)ME8788840.94NA1.06
6-Phosphogluconate(6PG)(None)ME8788670.94NA1.06
3-(3,4-Dihydroxyphenyl)-N-(3-oxopropyl)propanamide(None)ME8786270.94NA1.06
2-Ketobutyric acid(None)ME8787440.94NA1.06
2,4-Dinitrophenol(None)ME8788750.94NA1.06
2-(Hydroxymethyl)-5-methoxy-4-methyl-1,3-benzenediol(None)ME8789780.94NA1.06
β-Alanine*,*Alanine(13C_2)ME8787100.94NA1.04
N-Acetylalanine(None)ME8788350.96NA1.04
D-gamma-Glu-Gly(None)ME8789140.96NA1.04
[1-(3,5-Dimethoxybenzyl)-3-oxo-2-piperazinyl]acetic acid(None)ME8786570.96NA1.04
4-Tert-butyl-2,6-dinitroanisole(None)ME8786070.96NA1.04
Trifluoroacetic acid(None)ME8786930.95NA1.05
Threonine(None)ME8787720.95NA1.05
Brassylic acid(13C_1)ME8786510.95NA1.05
5,8,12-Trihydroxy-2-oxododecanoic acid(None)ME8786410.95NA1.05
4-Oxoproline(13C_3)ME8788050.95NA1.05
2,3,4,5,6,7-Hexahydroxyheptanoic acid(None)ME8789240.95NA1.05
4-Benzo[1,3]dioxol-5-yl-4-hydroxycyclohexanone(None)ME8786450.95NA1.05
Erythrose, 4-phosphate(None)ME8787730.98NA1.07
Biacetyl(None)ME8787400.98NA1.02
Fumaric acid(13C_2)ME8787340.98NA1.02
H-HIS-ARG-OH(13C_1)ME8786400.98NA1.03
Itaconic acid(13C_2)ME8787850.97NA1.03
Diisopropyl 3-hydroxy-1,1-cyclobutanedicarboxylate(None)ME8786370.97NA1.03
2,3,4,5,6,7,8-Heptahydroxyoctanal(None)ME8789530.97NA1.03
[2,4,6-Trihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]acetic acid*,*Dimethyl (5R,6R)-1-oxo-2,3,4,5,6,7-hexahydro-1H-indene-5,6-dicarboxylate*,*Eugenone*,*Methyl 4-(2,5-dimethoxyphenyl)-4-oxobutanoate(None)ME8786460.97NA1.03
4-Oxoproline(13C_2)ME8788020.97NA1.05
Itaconic acid(13C_1)ME8787840.98NA1.04
O-Acetylserine(13C_1)ME8788420.92NA1.23
3-Hydroxyanthranilic acid(None)ME8789370.85NA1.11
trans-4-Hydroxy-L-Proline(None)ME8788340.86NA1.14
Phosphocreatine(None)ME8787240.86NA1.14
Lactate(13C_3)ME8787050.86NA1.14
Glutaric acid(13C_1)ME8788230.86NA1.14
(5Z)-5-Decenedioic acid*,*cis-4-Decenedioic acid*,*Decenedioic acid(None)ME8785790.86NA1.14
4-Hydroxyphenylpyruvic acid(None)ME8790030.86NA1.14
5-CMP*,*CMP(13C_1)ME8789840.86NA1.14
Uridine 5^-diphosphate (UDP)*,*UDP(None)ME8789800.87NA1.13
udp-glucuronic acid*,*Uridine 5’-diphosphate-D-glucuronate(None)ME8786580.87NA1.13
Salicylic acid(None)ME8789350.87NA1.13
Phosphocreatine(13C_1)ME8787250.87NA1.13
Isocitrate(13C_4)ME8788960.87NA1.13
DL-Glyceric acid(None)ME8787060.87NA1.13
Asp-Ala(None)ME8789130.87NA1.13
5-Hydroxy-DL-tryptophan(None)ME8786010.87NA1.13
(+/-)12(13)-DiHOME*,*(+/-)9,10-dihydroxy-12Z-octadecenoic acid(None)ME8786780.87NA1.13
4-Acetyl-4-(ethoxycarbonyl)heptanedioic acid(None)ME8786350.87NA1.13
Sorbitol(None)ME8788730.88NA1.12
L-Glutathione oxidized(13C_1)ME8786820.88NA1.12
CDP(None)ME8789890.88NA1.12
2-(acetylamino)-4-(methylthio)butanoic acid*,*Acetyl-L-methionine(None)ME8789180.88NA1.12
2-Hydroxyfelbamate*,*4-Tert-butyl-2,6-dinitroanisole(None)ME8786060.88NA1.12
L-Glutathione oxidized(13C_4)ME8786860.83NA1.13
O-Acetylserine(None)ME8788410.82NA1.13
UDP-GALC NAC(None)ME8786680.84NA1.16
Quinolinic Acid(None)ME8789290.84NA1.16
Guanosine 5^-diphosphate (GDP)*,*GDP(None)ME8785740.84NA1.16
DL-3-Aminoisobutyric acid*,*L-alpha-Amino-n-butyric acid(13C_4)ME8787710.84NA1.16
Citrate(None)ME8788880.84NA1.16
Capryloylglycine(None)ME8785940.84NA1.16
Biacetyl(13C_3)ME8787430.84NA1.16
1-Benzothiophen-3-ylacetonitrile(13C_1)ME8785970.84NA1.16
4-Nitro-1H-pyrazole-3,5-dicarbohydrazide(13C_3)ME8788120.84NA1.16
Malate(13C_4)ME8787570.85NA1.15
gamma-Glu-gln(13C_5)ME8785850.85NA1.15
Dibutyl dodecanedioate(None)ME8786890.85NA1.15
alpha-ketoglutarate(13C_1)ME8787900.85NA1.15
5-Hydroxy-2-nitrobenzoic acid(None)ME8789310.85NA1.15
2-Amino-N^-(2,4-dinitrophenyl)-5-hydroxypentanehydrazide(None)ME8786130.85NA1.15
(2Z)-3-(6,7-Dimethoxy-1,3-benzodioxol-5-yl)-2-hydroxyacrylic acid*,*3-(6,7-Dimethoxy-1,3-benzodioxol-5-yl)-2-oxiranecarboxylic acid(None)ME8786260.85NA1.15
Pantothenic acid(None)ME8789980.83NA1.17
Fumaric acid(13C_4)ME8787380.83NA1.17
fMet(None)ME8788550.83NA1.17
Citrate(13C_2)ME8788920.83NA1.17
Aminolevulinic acid(None)ME8788330.83NA1.17
1-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-2,4(1H,3H)-pyrimidinedione(None)ME8789860.83NA1.17
2,6-Dichloro-4-(trifluoromethyl)aniline(13C_5)ME8789280.83NA1.17
UDP-Glucose*,*UDP-GAL (UDP-Galactose)(None)ME8786600.82NA1.18
Histidine(None)ME8789040.82NA1.18
5,4^-dihydroxy-3,3^-dimethoxy-6,7-methylenedioxyflavone(None)ME8786710.82NA1.18
D-Fructose-6-Phosphate(F6P)(None)ME8788700.82NA1.18
Succinate(13C_4)ME8787520.81NA1.19
alpha-ketoglutarate(13C_3)ME8787930.81NA1.19
N-Acetyl-L-glutamic acid(None)ME8789050.81NA1.19
DL-p-Hydroxyphenyllactic acid(13C_8)ME8789730.92NA1.16
DL-3-Aminoisobutyric acid*,*L-alpha-Amino-n-butyric acid(13C_2)ME8787690.88NA1.18
L-Pyroglutamic acid(13C_4)ME8788060.87NA1.20
4-Methyl-2-oxovaleric acid(None)ME8788430.65NA1.46
Uridine 5^-diphosphate (UDP)*,*UDP(13C_3)ME8789820.64NA1.53
2-Methyl-2-propanyl 2,5-dioxo-1,3-oxazolidine-3-carboxylate(13C_5)ME8789440.64NA1.27
3-Hydroxy-3-propylhexanoic acid(13C_1)ME8790000.61NA1.26
Dihydroxyacetone Phosphate (DHAP)*,*DL-Glyceraldehyde 3-phosphate(None)ME8787150.66NA1.34
N-Acetylneuraminic acid(None)ME8786150.66NA1.34
Pseudouridine(None)ME8789740.68NA1.32
Methyl acetoacetate*,*Levulinic acid(None)ME8788200.68NA1.32
1-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-2,4(1H,3H)-pyrimidinedione(13C_3)ME8789870.68NA1.32
5-(3,4-Dihydroxybenzyl)dihydro-2(3H)-furanone(None)ME8786030.68NA1.32
TIQ-A(13C_3)ME8786230.67NA1.33
Myristyl sulfate(None)ME8786560.67NA1.33
cis-Aconitate(13C_3)ME8788830.67NA1.33
H-HIS-ARG-OH(None)ME8786390.67NA1.33
L-Glutathione (reduced)*,*Glutathione(13C_4)ME8785880.63NA1.37
CMPF*,*Isoamyl Gallate(13C_1)ME8786330.63NA1.37
4-Oxoproline(13C_5)ME8788080.63NA1.37
alpha-ketoglutarate(13C_5)ME8787960.63NA1.37
gamma-Glu-gln(13C_10)ME8785840.62NA1.38
Orotic acid(13C_3)ME8787800.62NA1.38
Orotic acid(13C_4)ME8787810.65NA1.35
2-Ketobutyric acid(13C_4)ME8787470.65NA1.35
alpha-ketoglutarate(13C_2)ME8787910.65NA1.35
Methyl 2-(dimethoxymethyl)-3-methylbutanoate(None)ME8790010.64NA1.36
3-Hydroxyoctanoic acid*,*Methyl 3-hydroxyheptanoate(None)ME8789510.64NA1.36
cis-2-Carboxycyclohexyl-acetic acid(None)ME8789850.64NA1.36
L-Glutathione (reduced)*,*Glutathione(13C_5)ME8785890.55NA1.45
cis-Aconitate(13C_5)ME8788850.56NA1.44
UDP-GALC NAC(13C_3)ME8786700.57NA1.43
Isocitrate(13C_3)ME8788950.57NA1.43
2-(acetylamino)-4-(methylthio)butanoic acid*,*Acetyl-L-methionine(13C_2)ME8789190.57NA1.43
Fumaric acid(13C_3)ME8787360.57NA1.43
(R)-2-Hydroxybutyric acid*,*3-Hydroxybutyric acid(None)ME8787640.60NA1.40
4-(4-Dodecanyl)benzenesulfonic acid(None)ME8786760.60NA1.40
2-Hydroxy glutaric acid(13C_3)ME8788270.60NA1.40
2-Hydroxy glutaric acid(13C_5)ME8788290.60NA1.40
alpha-ketoglutarate(13C_4)ME8787940.61NA1.39
3-Hydroxy-3-propylhexanoic acid(None)ME8789990.61NA1.39
9-Oxononanoic acid(13C_1)ME8789920.61NA1.39
Ureidosuccinic acid(13C_3)ME8788170.59NA1.41
Malate(13C_3)ME8787560.59NA1.41
Maleic acid(13C_3)ME8787370.59NA1.41
N-Acetyl-L-glutamic acid(13C_5)ME8789080.58NA1.42
Ureidosuccinic acid(13C_4)ME8788180.58NA1.42
Adipic acid(13C_1)ME8788490.53NA1.36
D-Glucose-6-Phosphate(G6P)(None)ME8788690.54NA1.35
Glucuronolactone*,*Vitamin C(None)ME8788860.56NA1.33
L-Proline(13C_5)ME8788320.58NA1.31
N-Acetyl-1-aspartylglutamic acid(None)ME8786140.59NA1.31
1-Oxo-1,2,4-butanetricarboxylic acid(13C_4)ME8789400.88NA1.35
U,(Uridine)(None)ME8789750.76NA1.24
Lactate(None)ME8787030.76NA1.24
Itaconic acid(13C_4)ME8787870.76NA1.24
DL-alpha-Glycerol phosphate(None)ME8787210.76NA1.24
Diethyl (2-oxocyclohexyl)malonate(None)ME8786490.76NA1.24
1-Deoxy-1-(methylamino)hexitol(None)ME8789260.76NA1.24
3-Hydroxy-3-methylglutaric acid(None)ME8788510.76NA1.24
U,(Uridine)(13C_5)ME8789770.75NA1.25
Ureidosuccinic acid(None)ME8788150.75NA1.25
S-3-oxodecanoyl cysteamine(None)ME8786420.75NA1.25
Pyruvate(13C_3)ME8787000.75NA1.25
gamma-Glu-gln(None)ME8785830.75NA1.25
Glycerylphosphorylethanolamine(None)ME8787750.75NA1.25
4-Oxoproline(13C_4)ME8788070.77NA1.23
3-Hydroxy-5,7,8-trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromen-4-one*,*Frangulin B(None)ME8786790.77NA1.23
2-Methyl-2-propanyl 2,5-dioxo-1,3-oxazolidine-3-carboxylate(13C_3)ME8789430.77NA1.23
10-(Methylsulfonyl)decanenitrile(None)ME8786200.77NA1.23
2-(2-Acetoxy-2-oxoethyl)-2-hydroxysuccinate(13C_4)ME8789650.77NA1.23
Aspartic acid(13C_3)ME8787620.78NA1.22
4-Nitro-1H-pyrazole-3,5-dicarbohydrazide(13C_4)ME8788130.78NA1.22
Asp-Ala(13C_5)ME8789160.78NA1.22
2,6-Dimethylbenzenesulfonyl Chloride(13C_4)ME8789700.83NA1.23
Timonacic(None)ME8787580.80NA1.20
Glycerophosphoglycerol(None)ME8788740.80NA1.20
glycerol 1,2-cyclic phosphate(None)ME8787120.80NA1.20
Brassylic acid(None)ME8786500.80NA1.20
5-ATP*,*ATP(None)ME8785750.80NA1.20
1-BOC-4-Mercaptopiperidine(None)ME8785930.80NA1.20
1-Oxo-1,2,4-butanetricarboxylic acid(13C_5)ME8789410.80NA1.20
Succinate(13C_3)ME8787510.79NA1.21
Methyl 3-formyl-2,4-dihydroxy-6-methylbenzoate(None)ME8785690.79NA1.21
D-fructose-1,6-bisphosphate (F1, 6BP)(None)ME8788710.79NA1.21
4-Nitro-1H-pyrazole-3,5-dicarbohydrazide(13C_5)ME8788140.79NA1.21
Benzenol(None)ME8788790.79NA1.21
Biacetyl(13C_2)ME8787420.70NA1.23
UDP-GALC NAC(13C_2)ME8786690.72NA1.21
cis-Aconitate(13C_1)ME8788810.76NA1.32
D-Glyceraldehyde3-Phosphate(GADP)(None)ME8787140.76NA1.32
3-Hydroxy-3-methylglutaric acid(13C_2)ME8788530.71NA1.29
D-fructose-1,6-bisphosphate (F1, 6BP)(13C_1)ME8788720.71NA1.29
L-Pyroglutamic acid(13C_3)ME8788040.70NA1.30
L-gamma-Glutamyl-S-(5,6-dihydroxy-2,3-dihydro-1H-indol-4-yl)cysteinylglycine(13C_5)ME8786750.70NA1.30
Isocitrate(None)ME8788890.70NA1.30
(Hydroxyethyl)methacrylate*,*6-Oxohexanoic acid*,*4-Methyl-2-oxovaleric acid(None)ME8788440.70NA1.30
3-Hydroxyheptanoic acid(None)ME8789220.70NA1.30
6-Hydroxy-5-methyl-4,11-dioxoundecanoic acid(None)ME8786360.70NA1.30
Maleic acid(13C_4)ME8787390.72NA1.28
4-oxo-4,5,6,7-tetrahydrobenzo[b]furan-3-carboxylic acid(None)ME8790040.72NA1.28
6-Oxohexanoic acid(None)ME8788450.72NA1.28
Orotic acid(None)ME8787770.73NA1.27
N-Acetylaspartic acid(None)ME8789010.73NA1.27
L-Threonic acid(None)ME8787650.73NA1.27
Itaconic acid(13C_3)ME8787860.73NA1.27
3-phosphoglycerate (3PG)(None)ME8787160.73NA1.27
2-hydroxysebacic acid*,*3-Hydroxysebacic acid(None)ME8785920.73NA1.27
2-[(2-Amino-2-carboxyethyl)thio]butanedioic acid(13C_4)ME8789120.73NA1.27
2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid*,*Calystegine C1(None)ME8789200.73NA1.27
L-Pyroglutamic acid(13C_5)ME8788090.74NA1.26
L-Glutathione oxidized(13C_5)ME8786870.74NA1.26
Glucose(None)ME8788620.74NA1.26
5-CMP*,*CMP(None)ME8789830.74NA1.26
Dinitro-ortho-cresol(None)ME8789320.74NA1.26
5,4^-dihydroxy-3,3^-dimethoxy-6,7-methylenedioxyflavone(13C_1)ME8786720.57NA1.14
Xanthine(None)ME8787820.66NA1.09
2-Ketobutyric acid(13C_2)ME8787460.73NA1.14
(2R,3R,4R,5R)-2-(Hydroxymethyl)-5-(4-hydroxyphenyl)-3,4-pyrrolidinediol(13C_1)ME8786120.68NA1.16
4-Hydroxybenzaldehyde(13C_1)ME8789340.52NA1.96
Fructose(None)ME8788610.78NA1.86
L-alpha-Aminoadipic acid(13C_1)ME8788570.69NA1.63
Salicylic acid(13C_1)ME8789360.66NA1.69
5-ATP*,*ATP(13C_1)ME8785760.04NA1.96
2-(2-Acetoxy-2-oxoethyl)-2-hydroxysuccinate(13C_3)ME8789640.19NA1.81
6-Oxohexanoic acid(13C_1)ME8788470.17NA1.83
udp-glucuronic acid*,*Uridine 5’-diphosphate-D-glucuronate(13C_1)ME8786590.17NA1.83
6-Phosphogluconate(6PG)(13C_1)ME8788680.29NA1.71
S-3-oxodecanoyl cysteamine(13C_1)ME8786430.21NA1.59
6-Hydroxycaproic acid(None)ME8788600.35NA1.49
L-Pyroglutamic acid(13C_1)ME8788010.41NA1.39
Citrate(13C_4)ME8788970.53NA1.47
(2E)-4,5,7-Trihydroxy-2-octenoic acid(None)ME8789500.49NA1.51
(2Z)-2-[(Sulfooxy)methyl]-2-butenoic acid(None)ME8788300.49NA1.51
4-Methyl-2-oxovaleric acid(13C_1)ME8788460.50NA1.50
N-Acetylaspartic acid(13C_4)ME8789030.50NA1.50
L-Glutathione oxidized(13C_10)ME8786830.38NA1.62
UDP-Glucose*,*UDP-GAL (UDP-Galactose)(13C_3)ME8786630.37NA1.63
Citrate(13C_3)ME8788940.41NA1.59
Citrate(13C_5)ME8788980.42NA1.58
Isocitrate(13C_5)ME8788990.44NA1.56
L-Pyroglutamic acid(13C_2)ME8788030.45NA1.55
3-Hydroxyoctanoic acid*,*Methyl 3-hydroxyheptanoate(13C_1)ME8789520.39NA1.15
L-Glutathione (reduced)*,*Glutathione(13C_3)ME8785870.47NA1.13
Dimethyl 2-hydroxy-7-methyloctanedioate(13C_1)ME8786190.25NA1.38
3-Methylazelaic acid(13C_1)ME8785910.19NA1.40
N-Acetylaspartic acid(13C_3)ME8789020.14NA1.43
2-Hydroxy glutaric acid(13C_4)ME8788280.03NA1.24
(4-hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid(13C_1)ME8786340.14NA1.29
Citrulline(None)ME8788660.26NA1.25
N-Acetylalanine(13C_2)ME8788370.18NA1.21
Trifluoroacetic acid(13C_1)ME8786941.85NA0.15
Citrate(13C_1)ME8788901.70NA0.30
2,4-Dichloro-5-pyrimidinecarbonitrile(None)ME8787761.64NA0.52
8-Amino-7-oxononanoic acid(None)ME8789951.55NA0.45
D-(-)-Fructose*,*Hexose(13C_1)ME8788641.62NA0.38
Decenedioic acid(13C_1)ME8785811.34NA0.32
3-Hydroxy-5,7,8-trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromen-4-one*,*Frangulin B(13C_1)ME8786801.41NA0.18
4-Oxoproline(13C_1)ME8788001.29NA0.13
alpha-Ketoglutarate(13C_4)ME8787951.26NA0.22
Aspartic acid(13C_1)ME8787601.42NA0.58
Isocitrate(13C_1)ME8788911.46NA0.54
4-Nitro-1H-pyrazole-3,5-dicarbohydrazide(13C_1)ME8788111.31NA0.54
2-Acetamido-2-deoxy-D-gluconolactone(13C_1)ME8789461.29NA0.43
2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid*,*Calystegine C1(13C_1)ME8789211.26NA0.48
5-ATP*,*ATP(13C_6)ME8785781.24NA0.51
2-Phosphoglycerate (2PG)(13C_3)ME8787201.17NA0.66
Terephthalic acid(None)ME8789581.22NA0.67
1-Oxo-1,2,4-butanetricarboxylic acid(None)ME8789391.27NA0.63
Methyl N,S-dihexanoylcysteinate(13C_1)ME8786651.33NA0.67
Azelaic acid(13C_1)ME8789942.34NA0.33
L-gamma-Glutamyl-S-(5,6-dihydroxy-2,3-dihydro-1H-indol-4-yl)cysteinylglycine(13C_1)ME8786742.11NA0.63
N-(Adamantan-1-ylcarbonyl)alanine(13C_1)ME8786531.92NA0.69

Factors:

F1Treatment:Control
F2Treatment:NA
F3Treatment:Pimozide
Data matrix
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