Clustering data with hclust algorithm for (Study ST003362)

HILIC NEGATIVE ION MODE (Analysis AN005507)
MetaboliteStructureF1F2F3
3-(3,4-Dihydroxyphenyl)-N-(3-oxopropyl)propanamide(13C_1)ME8795153.00NA0.33
2-Hydroxy glutaric acid(13C_1)ME8797130.33NA2.34
2-Acetamido-2-deoxy-D-gluconolactone(13C_5)ME8798341.02NA0.96
Succinate(13C_2)ME8796371.04NA0.96
Methyl 3,5-dinitrosalicylate(None)ME8798421.04NA0.96
Anhalamine*,*5-Methyl-4-(1-pyrrolidinylmethyl)-2-furoic acid(None)ME8794971.04NA0.96
Itaconic acid(None)ME8796701.04NA0.96
2-(Hydroxymethyl)-5-methoxy-4-methyl-1,3-benzenediol(13C_1)ME8798661.04NA0.97
N-Acetyl-L-glutamic acid(13C_1)ME8797931.03NA0.97
Malonic acid(None)ME8795881.03NA0.97
Fumaric acid(None)ME8796181.03NA0.97
cis-Aconitate(13C_2)ME8797691.03NA0.97
4-nitrocatechol(None)ME8797651.03NA0.97
2-Phosphoglycerate (2PG)(None)ME8796041.03NA0.97
3-Hydroxyheptanoic acid(13C_1)ME8798101.03NA0.97
3,6-Dibromopyridazine(None)ME8796151.02NA0.98
L-Tyrosine methyl ester(None)ME8794591.02NA0.98
DL-3-Aminoisobutyric acid*,*L-alpha-Amino-n-butyric acid(13C_3)ME8796571.02NA0.99
Suberic acid(None)ME8798351.01NA0.99
N-Acetyl-L-cysteine(None)ME8797251.01NA0.99
Isocitrate(13C_2)ME8797801.01NA0.99
DL-p-Hydroxyphenyllactic acid(None)ME8798591.01NA0.99
Diethylpyrocarbonate(None)ME8797371.01NA0.99
2-Amino-6-methylsulfonylbenzothiazole(None)ME8798491.01NA0.99
5-(3,4-Dihydroxybenzyl)dihydro-2(3H)-furanone(13C_1)ME8794921.01NA0.99
Methyl tyrosinate(None)ME8794600.99NA1.01
D-(-)-Fructose*,*Hexose(None)ME8797500.99NA1.01
Glutaric acid(None)ME8797090.99NA1.01
(5Z)-5-Decenedioic acid*,*cis-4-Decenedioic acid*,*Decenedioic acid(13C_1)ME8794691.00NA1.01
N-[(2S)-2-Hydroxypropanoyl]-L-leucine(None)ME8798841.00NA1.00
Mesyl anhydride(None)ME8795821.00NA1.00
Fumaric acid(13C_1)ME8796201.00NA1.00
Biacetyl(13C_1)ME8796281.00NA1.00
2-Methyl-2-propanyl 2,5-dioxo-1,3-oxazolidine-3-carboxylate(None)ME8798291.00NA1.00
2-(2-Acetoxy-2-oxoethyl)-2-hydroxysuccinate(None)ME8798501.00NA1.00
2,6-Dichloro-4-(trifluoromethyl)aniline(None)ME8798141.00NA1.00
2,3,4,5,6,7-Hexahydroxyheptanoic acid(13C_1)ME8798121.04NA0.88
(+/-)9-HpODE(None)ME8795641.09NA0.97
P-DMEA(None)ME8796141.09NA0.95
[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)ME8795351.10NA0.93
1-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-2,4(1H,3H)-pyrimidinedione(13C_5)ME8798751.12NA0.94
5-ATP*,*ATP(13C_5)ME8794641.11NA0.95
Methyl N,S-dihexanoylcysteinate(None)ME8795511.08NA0.92
L-Glutathione (reduced)*,*Glutathione(None)ME8794731.08NA0.92
Aspartic acid(13C_4)ME8796501.08NA0.92
Azelaic acid(None)ME8798801.08NA0.92
2-Aminothiazole-4-carboxylic acid(None)ME8796161.10NA0.90
Adipic acid(None)ME8797351.10NA0.90
phosphoenolpyruvate (PEP)(None)ME8795891.09NA0.91
4-(4-Ethylphenyl)butanoic acid(None)ME8795161.09NA0.91
(4-hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid(None)ME8795191.09NA0.91
3-Methyl-4H-furo[3,2-c]pyran-4,6(7H)-dione(13C_8)ME8798481.05NA0.95
N-Acetyl-L-cysteine(13C_1)ME8797261.05NA0.95
3-phosphoglycerate (3PG)(13C_1)ME8796051.07NA0.95
β-Alanine*,*Alanine(13C_3)ME8795981.06NA0.94
Phthalic acid(None)ME8798441.06NA0.94
N-(Adamantan-1-ylcarbonyl)alanine(None)ME8795391.06NA0.94
Maleic acid(None)ME8796171.06NA0.94
3-Methyl-4H-furo[3,2-c]pyran-4,6(7H)-dione(None)ME8798431.06NA0.94
Malate(None)ME8796401.06NA0.94
TIQ-A(13C_4)ME8795111.07NA0.93
CMPF*,*Isoamyl Gallate(None)ME8795181.07NA0.93
Butylparaben(None)ME8794961.07NA0.93
3-Methylazelaic acid(None)ME8794771.07NA0.93
Benzoresorcinol(None)ME8795311.07NA0.93
Methyl [(methylsulfonyl)oxy]acetate(None)ME8796541.19NA0.75
NADH(None)ME8795791.16NA0.76
[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)ME8795341.22NA0.83
cis-Aconitate(None)ME8797671.18NA0.82
alpha-Ketoglutarate(None)ME8796751.21NA0.79
β-Alanine*,*Alanine(None)ME8795951.20NA0.80
CTP(None)ME8798771.26NA0.81
2-Acetamido-2-deoxy-D-gluconolactone(None)ME8798321.27NA0.73
Aspartic acid(None)ME8796461.25NA0.75
L-Glutathione oxidized(None)ME8795681.25NA0.75
Aspartic acid(13C_2)ME8796481.24NA0.76
TIQ-A(None)ME8795081.23NA0.77
TIQ-A(13C_2)ME8795091.23NA0.77
L-alpha-Aminoadipic acid(None)ME8797431.23NA0.77
3-Hydroxypicolinic acid(None)ME8797631.23NA0.77
Hexanoic acid(13C_1)ME8797461.23NA0.77
alpha-Ketoglutarate(13C_3)ME8796791.08NA0.85
Succinate(13C_1)ME8796361.10NA0.86
2-Hydroxy glutaric acid(None)ME8797121.12NA0.88
Suberic acid(13C_1)ME8798361.12NA0.88
Hexanoic acid(None)ME8797451.13NA0.87
4-Oxoproline(None)ME8796851.13NA0.87
DL-3-Aminoisobutyric acid*,*L-alpha-Amino-n-butyric acid(None)ME8796551.13NA0.87
Taurine(13C_1)ME8795841.16NA0.84
Succinate(None)ME8796351.15NA0.85
4-Hydroxybenzaldehyde(None)ME8798201.15NA0.85
L-gamma-Glutamyl-S-(5,6-dihydroxy-2,3-dihydro-1H-indol-4-yl)cysteinylglycine(None)ME8795601.15NA0.85
4-Nitro-1H-pyrazole-3,5-dicarbohydrazide(None)ME8796971.14NA0.86
[(Methylsulfonyl)oxy]acetic acid(None)ME8795941.14NA0.86
Malate(13C_1)ME8796411.16NA0.92
Diisopropyl 3-hydroxy-1,1-cyclobutanedicarboxylate(13C_1)ME8795251.20NA0.90
Ethylene dodecanedioate(None)ME8795411.24NA0.88
Capryloylglycine(13C_1)ME8794820.89NA1.05
Maleic acid(13C_1)ME8796190.88NA1.08
1-Isopropyl-4-methyl-7,12-dithiaspiro[5.6]dodecane(None)ME8795420.89NA1.07
4-(4-Ethylphenyl)butanoic acid(13C_1)ME8795170.89NA1.08
indole-3-lactic acid(None)ME8794870.92NA1.08
Gluconic acid(None)ME8797520.92NA1.08
Ethyl myristate(None)ME8795530.92NA1.08
Decenedioic acid(None)ME8794670.92NA1.08
2-[(2-Amino-2-carboxyethyl)thio]butanedioic acid(None)ME8797970.92NA1.08
beta-NAD*,*Nicotinamide adenine dinucleotide (NAD)(None)ME8795770.92NA1.08
Taurine(None)ME8795830.91NA1.09
Pyrophosphoric Acid(None)ME8798930.91NA1.09
L-Pyroglutamic acid(None)ME8796860.91NA1.09
alpha-Ketoglutarate(13C_5)ME8796840.91NA1.09
2-(2-oxomorpholino)acetic acid(None)ME8797870.91NA1.09
2,6-Dimethylbenzenesulfonyl Chloride(None)ME8798560.91NA1.09
3-Methyladipic acid(None)ME8798040.90NA1.13
16-Hydroxyhexadecanoic acid(None)ME8795540.91NA1.13
O-{[(2R)-2-(Docosanoyloxy)-3-(pentadecanoyloxy)propoxy](hydroxy)phosphoryl}-L-serine(None)ME8796100.91NA1.12
Valine(None)ME8796610.89NA1.11
Orotidine(None)ME8794570.89NA1.11
Maleic acid(13C_2)ME8796220.89NA1.11
Dimethyl 2-hydroxy-7-methyloctanedioate(None)ME8795050.89NA1.11
4-Pyridoxic acid*,*5-pyridoxic acid(None)ME8798580.89NA1.11
1-Benzothiophen-3-ylacetonitrile(None)ME8794830.89NA1.11
(2E)-3-(3,4-Dimethoxyphenyl)acrylic acid(None)ME8794910.89NA1.11
Phosphoric acid(None)ME8798920.90NA1.10
Indole-3-aldehyde(None)ME8798890.90NA1.10
9-Oxononanoic acid(None)ME8798780.90NA1.10
2-[(Carboxymethoxy)carbonyl]benzoic acid(None)ME8794850.90NA1.10
(2R,3R,4R,5R)-2-(Hydroxymethyl)-5-(4-hydroxyphenyl)-3,4-pyrrolidinediol(None)ME8794980.90NA1.10
Pyruvate(None)ME8795850.93NA1.07
O-{Hydroxy[(2R)-2-(icosanoyloxy)-3-(pentadecanoyloxy)propoxy]phosphoryl}-L-serine(None)ME8796090.93NA1.07
alpha-ketoglutarate(None)ME8796760.93NA1.07
2,2^-Bipyridine-4,4^-dicarboxamide(None)ME8795120.93NA1.07
8-Amino-7-oxononanoic acid(13C_1)ME8798830.93NA1.07
Orotidine(13C_4)ME8794580.94NA1.06
Malate(13C_2)ME8796420.94NA1.06
L-Proline(None)ME8797180.94NA1.06
cis-Aconitate(13C_4)ME8797710.94NA1.06
6-Phosphogluconate(6PG)(None)ME8797540.94NA1.06
3-(3,4-Dihydroxyphenyl)-N-(3-oxopropyl)propanamide(None)ME8795140.94NA1.06
2-Ketobutyric acid(None)ME8796310.94NA1.06
2,4-Dinitrophenol(None)ME8797620.94NA1.06
2-(Hydroxymethyl)-5-methoxy-4-methyl-1,3-benzenediol(None)ME8798650.94NA1.06
β-Alanine*,*Alanine(13C_2)ME8795970.94NA1.04
N-Acetylalanine(None)ME8797220.96NA1.04
D-gamma-Glu-Gly(None)ME8798010.96NA1.04
[1-(3,5-Dimethoxybenzyl)-3-oxo-2-piperazinyl]acetic acid(None)ME8795440.96NA1.04
4-Tert-butyl-2,6-dinitroanisole(None)ME8794940.96NA1.04
Trifluoroacetic acid(None)ME8795800.95NA1.05
Threonine(None)ME8796590.95NA1.05
Brassylic acid(13C_1)ME8795380.95NA1.05
5,8,12-Trihydroxy-2-oxododecanoic acid(None)ME8795280.95NA1.05
4-Oxoproline(13C_3)ME8796920.95NA1.05
2,3,4,5,6,7-Hexahydroxyheptanoic acid(None)ME8798110.95NA1.05
4-Benzo[1,3]dioxol-5-yl-4-hydroxycyclohexanone(None)ME8795320.95NA1.05
Erythrose, 4-phosphate(None)ME8796600.98NA1.07
Biacetyl(None)ME8796270.98NA1.02
Fumaric acid(13C_2)ME8796210.98NA1.02
H-HIS-ARG-OH(13C_1)ME8795270.98NA1.03
Itaconic acid(13C_2)ME8796720.97NA1.03
Diisopropyl 3-hydroxy-1,1-cyclobutanedicarboxylate(None)ME8795240.97NA1.03
2,3,4,5,6,7,8-Heptahydroxyoctanal(None)ME8798400.97NA1.03
[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)ME8795330.97NA1.03
4-Oxoproline(13C_2)ME8796890.97NA1.05
Itaconic acid(13C_1)ME8796710.98NA1.04
O-Acetylserine(13C_1)ME8797290.92NA1.23
3-Hydroxyanthranilic acid(None)ME8798240.85NA1.11
trans-4-Hydroxy-L-Proline(None)ME8797210.86NA1.14
Phosphocreatine(None)ME8796110.86NA1.14
Lactate(13C_3)ME8795920.86NA1.14
Glutaric acid(13C_1)ME8797100.86NA1.14
(5Z)-5-Decenedioic acid*,*cis-4-Decenedioic acid*,*Decenedioic acid(None)ME8794660.86NA1.14
4-Hydroxyphenylpyruvic acid(None)ME8798900.86NA1.14
5-CMP*,*CMP(13C_1)ME8798710.86NA1.14
Uridine 5^-diphosphate (UDP)*,*UDP(None)ME8798670.87NA1.13
udp-glucuronic acid*,*Uridine 5’-diphosphate-D-glucuronate(None)ME8795450.87NA1.13
Salicylic acid(None)ME8798220.87NA1.13
Phosphocreatine(13C_1)ME8796120.87NA1.13
Isocitrate(13C_4)ME8797830.87NA1.13
DL-Glyceric acid(None)ME8795930.87NA1.13
Asp-Ala(None)ME8798000.87NA1.13
5-Hydroxy-DL-tryptophan(None)ME8794880.87NA1.13
(+/-)12(13)-DiHOME*,*(+/-)9,10-dihydroxy-12Z-octadecenoic acid(None)ME8795650.87NA1.13
4-Acetyl-4-(ethoxycarbonyl)heptanedioic acid(None)ME8795220.87NA1.13
Sorbitol(None)ME8797600.88NA1.12
L-Glutathione oxidized(13C_1)ME8795690.88NA1.12
CDP(None)ME8798760.88NA1.12
2-(acetylamino)-4-(methylthio)butanoic acid*,*Acetyl-L-methionine(None)ME8798050.88NA1.12
2-Hydroxyfelbamate*,*4-Tert-butyl-2,6-dinitroanisole(None)ME8794930.88NA1.12
L-Glutathione oxidized(13C_4)ME8795730.83NA1.13
O-Acetylserine(None)ME8797280.82NA1.13
UDP-GALC NAC(None)ME8795550.84NA1.16
Quinolinic Acid(None)ME8798160.84NA1.16
Guanosine 5^-diphosphate (GDP)*,*GDP(None)ME8794610.84NA1.16
DL-3-Aminoisobutyric acid*,*L-alpha-Amino-n-butyric acid(13C_4)ME8796580.84NA1.16
Citrate(None)ME8797750.84NA1.16
Capryloylglycine(None)ME8794810.84NA1.16
Biacetyl(13C_3)ME8796300.84NA1.16
1-Benzothiophen-3-ylacetonitrile(13C_1)ME8794840.84NA1.16
4-Nitro-1H-pyrazole-3,5-dicarbohydrazide(13C_3)ME8796990.84NA1.16
Malate(13C_4)ME8796440.85NA1.15
gamma-Glu-gln(13C_5)ME8794720.85NA1.15
Dibutyl dodecanedioate(None)ME8795760.85NA1.15
alpha-ketoglutarate(13C_1)ME8796770.85NA1.15
5-Hydroxy-2-nitrobenzoic acid(None)ME8798180.85NA1.15
2-Amino-N^-(2,4-dinitrophenyl)-5-hydroxypentanehydrazide(None)ME8795000.85NA1.15
(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)ME8795130.85NA1.15
Pantothenic acid(None)ME8798850.83NA1.17
Fumaric acid(13C_4)ME8796250.83NA1.17
fMet(None)ME8797420.83NA1.17
Citrate(13C_2)ME8797790.83NA1.17
Aminolevulinic acid(None)ME8797200.83NA1.17
1-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-2,4(1H,3H)-pyrimidinedione(None)ME8798730.83NA1.17
2,6-Dichloro-4-(trifluoromethyl)aniline(13C_5)ME8798150.83NA1.17
UDP-Glucose*,*UDP-GAL (UDP-Galactose)(None)ME8795470.82NA1.18
Histidine(None)ME8797910.82NA1.18
5,4^-dihydroxy-3,3^-dimethoxy-6,7-methylenedioxyflavone(None)ME8795580.82NA1.18
D-Fructose-6-Phosphate(F6P)(None)ME8797570.82NA1.18
Succinate(13C_4)ME8796390.81NA1.19
alpha-ketoglutarate(13C_3)ME8796800.81NA1.19
N-Acetyl-L-glutamic acid(None)ME8797920.81NA1.19
DL-p-Hydroxyphenyllactic acid(13C_8)ME8798600.92NA1.16
DL-3-Aminoisobutyric acid*,*L-alpha-Amino-n-butyric acid(13C_2)ME8796560.88NA1.18
L-Pyroglutamic acid(13C_4)ME8796930.87NA1.20
4-Methyl-2-oxovaleric acid(None)ME8797300.65NA1.46
Uridine 5^-diphosphate (UDP)*,*UDP(13C_3)ME8798690.64NA1.53
2-Methyl-2-propanyl 2,5-dioxo-1,3-oxazolidine-3-carboxylate(13C_5)ME8798310.64NA1.27
3-Hydroxy-3-propylhexanoic acid(13C_1)ME8798870.61NA1.26
Dihydroxyacetone Phosphate (DHAP)*,*DL-Glyceraldehyde 3-phosphate(None)ME8796020.66NA1.34
N-Acetylneuraminic acid(None)ME8795020.66NA1.34
Pseudouridine(None)ME8798610.68NA1.32
Methyl acetoacetate*,*Levulinic acid(None)ME8797070.68NA1.32
1-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-2,4(1H,3H)-pyrimidinedione(13C_3)ME8798740.68NA1.32
5-(3,4-Dihydroxybenzyl)dihydro-2(3H)-furanone(None)ME8794900.68NA1.32
TIQ-A(13C_3)ME8795100.67NA1.33
Myristyl sulfate(None)ME8795430.67NA1.33
cis-Aconitate(13C_3)ME8797700.67NA1.33
H-HIS-ARG-OH(None)ME8795260.67NA1.33
L-Glutathione (reduced)*,*Glutathione(13C_4)ME8794750.63NA1.37
CMPF*,*Isoamyl Gallate(13C_1)ME8795200.63NA1.37
4-Oxoproline(13C_5)ME8796950.63NA1.37
alpha-ketoglutarate(13C_5)ME8796830.63NA1.37
gamma-Glu-gln(13C_10)ME8794710.62NA1.38
Orotic acid(13C_3)ME8796670.62NA1.38
Orotic acid(13C_4)ME8796680.65NA1.35
2-Ketobutyric acid(13C_4)ME8796340.65NA1.35
alpha-ketoglutarate(13C_2)ME8796780.65NA1.35
Methyl 2-(dimethoxymethyl)-3-methylbutanoate(None)ME8798880.64NA1.36
3-Hydroxyoctanoic acid*,*Methyl 3-hydroxyheptanoate(None)ME8798380.64NA1.36
cis-2-Carboxycyclohexyl-acetic acid(None)ME8798720.64NA1.36
L-Glutathione (reduced)*,*Glutathione(13C_5)ME8794760.55NA1.45
cis-Aconitate(13C_5)ME8797720.56NA1.44
UDP-GALC NAC(13C_3)ME8795570.57NA1.43
Isocitrate(13C_3)ME8797820.57NA1.43
2-(acetylamino)-4-(methylthio)butanoic acid*,*Acetyl-L-methionine(13C_2)ME8798060.57NA1.43
Fumaric acid(13C_3)ME8796230.57NA1.43
(R)-2-Hydroxybutyric acid*,*3-Hydroxybutyric acid(None)ME8796510.60NA1.40
4-(4-Dodecanyl)benzenesulfonic acid(None)ME8795630.60NA1.40
2-Hydroxy glutaric acid(13C_3)ME8797140.60NA1.40
2-Hydroxy glutaric acid(13C_5)ME8797160.60NA1.40
alpha-ketoglutarate(13C_4)ME8796810.61NA1.39
3-Hydroxy-3-propylhexanoic acid(None)ME8798860.61NA1.39
9-Oxononanoic acid(13C_1)ME8798790.61NA1.39
Ureidosuccinic acid(13C_3)ME8797040.59NA1.41
Malate(13C_3)ME8796430.59NA1.41
Maleic acid(13C_3)ME8796240.59NA1.41
N-Acetyl-L-glutamic acid(13C_5)ME8797950.58NA1.42
Ureidosuccinic acid(13C_4)ME8797050.58NA1.42
Adipic acid(13C_1)ME8797360.53NA1.36
D-Glucose-6-Phosphate(G6P)(None)ME8797560.54NA1.35
Glucuronolactone*,*Vitamin C(None)ME8797730.56NA1.33
L-Proline(13C_5)ME8797190.58NA1.31
N-Acetyl-1-aspartylglutamic acid(None)ME8795010.59NA1.31
1-Oxo-1,2,4-butanetricarboxylic acid(13C_4)ME8798270.88NA1.35
U,(Uridine)(None)ME8798620.76NA1.24
Lactate(None)ME8795900.76NA1.24
Itaconic acid(13C_4)ME8796740.76NA1.24
DL-alpha-Glycerol phosphate(None)ME8796080.76NA1.24
Diethyl (2-oxocyclohexyl)malonate(None)ME8795360.76NA1.24
1-Deoxy-1-(methylamino)hexitol(None)ME8798130.76NA1.24
3-Hydroxy-3-methylglutaric acid(None)ME8797380.76NA1.24
U,(Uridine)(13C_5)ME8798640.75NA1.25
Ureidosuccinic acid(None)ME8797020.75NA1.25
S-3-oxodecanoyl cysteamine(None)ME8795290.75NA1.25
Pyruvate(13C_3)ME8795870.75NA1.25
gamma-Glu-gln(None)ME8794700.75NA1.25
Glycerylphosphorylethanolamine(None)ME8796620.75NA1.25
4-Oxoproline(13C_4)ME8796940.77NA1.23
3-Hydroxy-5,7,8-trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromen-4-one*,*Frangulin B(None)ME8795660.77NA1.23
2-Methyl-2-propanyl 2,5-dioxo-1,3-oxazolidine-3-carboxylate(13C_3)ME8798300.77NA1.23
10-(Methylsulfonyl)decanenitrile(None)ME8795070.77NA1.23
2-(2-Acetoxy-2-oxoethyl)-2-hydroxysuccinate(13C_4)ME8798520.77NA1.23
Aspartic acid(13C_3)ME8796490.78NA1.22
4-Nitro-1H-pyrazole-3,5-dicarbohydrazide(13C_4)ME8797000.78NA1.22
Asp-Ala(13C_5)ME8798030.78NA1.22
2,6-Dimethylbenzenesulfonyl Chloride(13C_4)ME8798570.83NA1.23
Timonacic(None)ME8796450.80NA1.20
Glycerophosphoglycerol(None)ME8797610.80NA1.20
glycerol 1,2-cyclic phosphate(None)ME8795990.80NA1.20
Brassylic acid(None)ME8795370.80NA1.20
5-ATP*,*ATP(None)ME8794620.80NA1.20
1-BOC-4-Mercaptopiperidine(None)ME8794800.80NA1.20
1-Oxo-1,2,4-butanetricarboxylic acid(13C_5)ME8798280.80NA1.20
Succinate(13C_3)ME8796380.79NA1.21
Methyl 3-formyl-2,4-dihydroxy-6-methylbenzoate(None)ME8794560.79NA1.21
D-fructose-1,6-bisphosphate (F1, 6BP)(None)ME8797580.79NA1.21
4-Nitro-1H-pyrazole-3,5-dicarbohydrazide(13C_5)ME8797010.79NA1.21
Benzenol(None)ME8797660.79NA1.21
Biacetyl(13C_2)ME8796290.70NA1.23
UDP-GALC NAC(13C_2)ME8795560.72NA1.21
cis-Aconitate(13C_1)ME8797680.76NA1.32
D-Glyceraldehyde3-Phosphate(GADP)(None)ME8796010.76NA1.32
3-Hydroxy-3-methylglutaric acid(13C_2)ME8797400.71NA1.29
D-fructose-1,6-bisphosphate (F1, 6BP)(13C_1)ME8797590.71NA1.29
L-Pyroglutamic acid(13C_3)ME8796910.70NA1.30
L-gamma-Glutamyl-S-(5,6-dihydroxy-2,3-dihydro-1H-indol-4-yl)cysteinylglycine(13C_5)ME8795620.70NA1.30
Isocitrate(None)ME8797760.70NA1.30
(Hydroxyethyl)methacrylate*,*6-Oxohexanoic acid*,*4-Methyl-2-oxovaleric acid(None)ME8797310.70NA1.30
3-Hydroxyheptanoic acid(None)ME8798090.70NA1.30
6-Hydroxy-5-methyl-4,11-dioxoundecanoic acid(None)ME8795230.70NA1.30
Maleic acid(13C_4)ME8796260.72NA1.28
4-oxo-4,5,6,7-tetrahydrobenzo[b]furan-3-carboxylic acid(None)ME8798910.72NA1.28
6-Oxohexanoic acid(None)ME8797320.72NA1.28
Orotic acid(None)ME8796640.73NA1.27
N-Acetylaspartic acid(None)ME8797880.73NA1.27
L-Threonic acid(None)ME8796520.73NA1.27
Itaconic acid(13C_3)ME8796730.73NA1.27
3-phosphoglycerate (3PG)(None)ME8796030.73NA1.27
2-hydroxysebacic acid*,*3-Hydroxysebacic acid(None)ME8794790.73NA1.27
2-[(2-Amino-2-carboxyethyl)thio]butanedioic acid(13C_4)ME8797990.73NA1.27
2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid*,*Calystegine C1(None)ME8798070.73NA1.27
L-Pyroglutamic acid(13C_5)ME8796960.74NA1.26
L-Glutathione oxidized(13C_5)ME8795740.74NA1.26
Glucose(None)ME8797490.74NA1.26
5-CMP*,*CMP(None)ME8798700.74NA1.26
Dinitro-ortho-cresol(None)ME8798190.74NA1.26
5,4^-dihydroxy-3,3^-dimethoxy-6,7-methylenedioxyflavone(13C_1)ME8795590.57NA1.14
Xanthine(None)ME8796690.66NA1.09
2-Ketobutyric acid(13C_2)ME8796330.73NA1.14
(2R,3R,4R,5R)-2-(Hydroxymethyl)-5-(4-hydroxyphenyl)-3,4-pyrrolidinediol(13C_1)ME8794990.68NA1.16
4-Hydroxybenzaldehyde(13C_1)ME8798210.52NA1.96
Fructose(None)ME8797480.78NA1.86
L-alpha-Aminoadipic acid(13C_1)ME8797440.69NA1.63
Salicylic acid(13C_1)ME8798230.66NA1.69
5-ATP*,*ATP(13C_1)ME8794630.04NA1.96
2-(2-Acetoxy-2-oxoethyl)-2-hydroxysuccinate(13C_3)ME8798510.19NA1.81
6-Oxohexanoic acid(13C_1)ME8797340.17NA1.83
udp-glucuronic acid*,*Uridine 5’-diphosphate-D-glucuronate(13C_1)ME8795460.17NA1.83
6-Phosphogluconate(6PG)(13C_1)ME8797550.29NA1.71
S-3-oxodecanoyl cysteamine(13C_1)ME8795300.21NA1.59
6-Hydroxycaproic acid(None)ME8797470.35NA1.49
L-Pyroglutamic acid(13C_1)ME8796880.41NA1.39
Citrate(13C_4)ME8797840.53NA1.47
(2E)-4,5,7-Trihydroxy-2-octenoic acid(None)ME8798370.49NA1.51
(2Z)-2-[(Sulfooxy)methyl]-2-butenoic acid(None)ME8797170.49NA1.51
4-Methyl-2-oxovaleric acid(13C_1)ME8797330.50NA1.50
N-Acetylaspartic acid(13C_4)ME8797900.50NA1.50
L-Glutathione oxidized(13C_10)ME8795700.38NA1.62
UDP-Glucose*,*UDP-GAL (UDP-Galactose)(13C_3)ME8795500.37NA1.63
Citrate(13C_3)ME8797810.41NA1.59
Citrate(13C_5)ME8797850.42NA1.58
Isocitrate(13C_5)ME8797860.44NA1.56
L-Pyroglutamic acid(13C_2)ME8796900.45NA1.55
3-Hydroxyoctanoic acid*,*Methyl 3-hydroxyheptanoate(13C_1)ME8798390.39NA1.15
L-Glutathione (reduced)*,*Glutathione(13C_3)ME8794740.47NA1.13
Dimethyl 2-hydroxy-7-methyloctanedioate(13C_1)ME8795060.25NA1.38
3-Methylazelaic acid(13C_1)ME8794780.19NA1.40
N-Acetylaspartic acid(13C_3)ME8797890.14NA1.43
2-Hydroxy glutaric acid(13C_4)ME8797150.03NA1.24
(4-hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid(13C_1)ME8795210.14NA1.29
Citrulline(None)ME8797530.26NA1.25
N-Acetylalanine(13C_2)ME8797240.18NA1.21
Trifluoroacetic acid(13C_1)ME8795811.85NA0.15
Citrate(13C_1)ME8797771.70NA0.30
2,4-Dichloro-5-pyrimidinecarbonitrile(None)ME8796631.64NA0.52
8-Amino-7-oxononanoic acid(None)ME8798821.55NA0.45
D-(-)-Fructose*,*Hexose(13C_1)ME8797511.62NA0.38
Decenedioic acid(13C_1)ME8794681.34NA0.32
3-Hydroxy-5,7,8-trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromen-4-one*,*Frangulin B(13C_1)ME8795671.41NA0.18
4-Oxoproline(13C_1)ME8796871.29NA0.13
alpha-Ketoglutarate(13C_4)ME8796821.26NA0.22
Aspartic acid(13C_1)ME8796471.42NA0.58
Isocitrate(13C_1)ME8797781.46NA0.54
4-Nitro-1H-pyrazole-3,5-dicarbohydrazide(13C_1)ME8796981.31NA0.54
2-Acetamido-2-deoxy-D-gluconolactone(13C_1)ME8798331.29NA0.43
2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid*,*Calystegine C1(13C_1)ME8798081.26NA0.48
5-ATP*,*ATP(13C_6)ME8794651.24NA0.51
2-Phosphoglycerate (2PG)(13C_3)ME8796071.17NA0.66
Terephthalic acid(None)ME8798451.22NA0.67
1-Oxo-1,2,4-butanetricarboxylic acid(None)ME8798261.27NA0.63
Methyl N,S-dihexanoylcysteinate(13C_1)ME8795521.33NA0.67
Azelaic acid(13C_1)ME8798812.34NA0.33
L-gamma-Glutamyl-S-(5,6-dihydroxy-2,3-dihydro-1H-indol-4-yl)cysteinylglycine(13C_1)ME8795612.11NA0.63
N-(Adamantan-1-ylcarbonyl)alanine(13C_1)ME8795401.92NA0.69

Factors:

F1Treatment:Control
F2Treatment:NA
F3Treatment:Pimozide
Data matrix
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