Clustering data with hclust algorithm for (Study ST002792)

HILIC NEGATIVE ION MODE (Analysis AN004543)
MetaboliteStructureF1F2
4-Hydroxy-2-oxopentanoateME7249820.871.29
ChelirubineME7248291.170.63
Dihydroxyacetone phosphateME7249041.250.45
6,7,8,11,12,13,21,22,23-nonahydroxy-2,17,20-trioxatetracyclo[17.3.1.0,.0,]tricosa-4,6,8,10,12,14-hexaene-3,16-dioneME7248231.320.36
BendiocarbME7247260.951.11
Erythronic acidME7249611.170.63
{2-hydroxy-5-[-3-phenylprop-2-enoyl]phenyl}oxidanesulfonic acidME7247710.931.15
4-Pyridoxic acidME7250390.991.01
IsradipineME7248121.040.91
3,3^-Thiobispropanoic acidME7249911.110.75
Margaroyl-EAME7248190.971.06
2-(glutathion-S-yl)-2-methylbut-3-enoateME7247741.040.91
cis-Aconitic acidME7250071.240.46
Cys/Asp/Asp/Glu/TrpME7248580.971.05
3-Phospho-D-erythronateME7249631.070.85
Lys/ValME7247360.282.43
2-Hydroxy-2,4-pentadienoateME7249761.180.60
HydroxyphenylacetylglycineME7247081.000.99
{2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-6-yl]-4-hydroxy-6-methyl-5-oxooxan-3-yl}oxidanesulfonic acidME7248361.170.62
Glu/Gly/ValME7247480.241.57
hydrogen trioxo[3-(1-chromen-1-ylium-2-yl)phenoxy]--sulfanuideME7247791.060.86
deacetylcolchicineME7248250.951.11
4-Hydroxy-L-glutamic acidME7249840.961.11
Fucose 1-phosphateME7250021.080.85
Fumaric acidME7249511.050.89
BornesitolME7250181.140.68
Arachidic acidME7248281.040.92
Arg/Val/Gly/ProME7248020.331.17
N-(2-hydroxy-docosanoyl)-pentadecasphing-4-enine-1-phosphoethanolamineME7248980.961.10
2-Ketobutyric acidME7249541.200.55
(2R*,3R*)-1,2,3-ButanetriolME7249491.150.65
2-{[(3,5-dimethoxyphenyl)(hydroxy)methylidene]amino}acetic acidME7247270.921.18
Dulcoside AME7248900.991.03
erythro-L-galacto-NonuloseME7250511.001.01
Asp/Glu/Phe/Met/ArgME7248671.090.79
Arg/Leu/Lys/ThrME7248381.001.00
beta-D-Fructose 1,6-bisphosphateME7250041.420.06
Asp/SerME7250130.561.98
CMP-2-aminoethylphosphonateME7247331.090.80
ClavulanateME7250400.921.18
dodecyl sulfateME7247550.562.00
N-Acetylneuraminic acidME7247321.150.66
MethylselenopyruvateME7249550.991.02
2-Deoxy-2,3-dehydro-N-acetylneuraminic acidME7247311.110.75
4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehydeME7250420.991.02
LysoPE(18:2)ME7248421.090.81
GlucosamineME7250010.871.30
Ganglioside GA1 (d18:1/24:1)ME7249880.921.19
2^-hydroxypyridoxolME7250231.010.98
Ala/Phe/Tyr/TyrME7248761.080.83
Nalpha,Nalpha-Dimethyl-L-histidineME7250250.931.16
Asp/Glu/Ile/Lys/TrpME724881NA1.00
[1-(4-methoxyphenyl)-3-phenylpropoxy]sulfonic acidME7247820.931.15
7-Hydroxymethyl-12-methylbenz[a]anthracene sulfateME7248221.240.46
Imidazole-4-acetaldehydeME7249720.991.03
Asn/SerME7250140.291.71
6,11-dihydroxy-3-methyl-7-(3,4,5-trihydroxyphenyl)-2,8-dioxatricyclo[7.3.1.0,]trideca-1,3,5(13),6,9,11-hexaen-2-yliumME7248001.050.88
GlycerophosphoglycerolME7250051.230.48
5^-HydroxylornoxicamME7247561.250.50
(2S,3R,-2-amino-4-dodecene-1,3-diolME7247530.781.45
Ala/Cys/Cys/His/ThrME7248170.991.03
1-deoxy-1-morpholino-D-fructoseME7247180.881.27
2-methyl-tridecanedioic acidME7247701.020.94
1-thio-beta-D-glucoseME7249981.030.93
5-ureidoimidazole-4-carboxylateME7249751.230.31
altro-D-manno-HeptoseME7250191.050.89
N-Acetyl-L-aspartic acidME7250101.110.75
5beta-Cholane-3alpha,24-diolME7248461.090.73
Alpha-LactoseME7247501.030.93
coptisineME7248091.160.65
GalactosylglycerolME7250501.030.94
Asn/Lys/Met/CysME7248041.110.75
FA (18:2)ME7248010.891.24
ArabinoseME7249661.110.76
Asn/Asp/Asp/ProME7247900.991.01
gamma-GlutamylglycineME7250121.040.92
Cys/Asp/Asp/Gly/AsnME7247911.040.91
Asn/Asn/Asp/ProME7247920.941.14
Asn/Cys/CysME7247150.971.07
Cys/Cys/Glu/Met/MetME7248341.150.65
Asn/Cys/TyrME7247851.150.66
Cysteic acidME7249031.040.90
beta-D-galactopyranosyl trimethylammonium bromideME7250520.831.37
FA methyl(16:1)ME7247981.080.82
1-(4-Hydroxy-3-methoxyphenyl)-3-decanoneME7247930.931.17
Ile/Ile/Ile/Ile/MetME7248711.010.98
19-dimethylarsinoyl-nonadecanoic acidME7248351.000.99
1-Pyrroline-5-carboxylic acidME7249781.360.27
Bis(4-isothiocyanatobutyl) disulfideME7247111.160.64
aminopyrrolnitrinME7247240.961.09
dithiolgliotoxinME7247590.901.22
2,5-DioxopentanoateME7249771.050.90
Ala/Asp/Gln/TyrME724833NA1.00
N-acetyldemethylphosphinothricyl-L-alanyl-L-leucineME7247781.030.92
2-{[hydroxy(2,3,4-trimethoxyphenyl)methylidene]amino}acetic acidME7247440.941.13
1-(2-methoxy-nonadecanyl)-sn-glycero-3-phosphoserineME7248571.040.91
MiroestrolME7248240.981.05
arabino-1,4-lactone 5-phosphateME7249851.170.61
N-Gluconyl ethanolamine phosphateME7250361.070.85
N-D-GlucosylarylamineME7247470.921.18
4,5-Dihydroorotic acidME7249741.050.89
2-{[1-(R)-Carboxyethyl]amino}pentanoateME7250301.110.75
2-(4-sulfophenyl)decaneME7247861.210.52
Hydantoin-5-propionic acidME7250081.000.99
1-MethoxyspirobrassininME7247410.981.05
ancymidolME7247720.941.13
2,3,5-TrihydroxytolueneME7250210.991.03
BergaptolME7247371.070.85
12-Hydroxy-12-octadecanoylcarnitineME7248520.941.13
N-Butyl-beta-carboline-3-carboxylateME7247810.941.13
9,10-dibromo-stearic acidME7248030.981.04
FA (22:5)ME7248371.020.95
1-(2-methoxy-octadecanyl)-sn-glycero-3-phosphoserineME7248531.050.88
2-Aceto-2-hydroxybutanoic acidME7249900.991.02
N-AcetylleucineME7250291.110.75
N5-(L-1-Carboxyethyl)-L-ornithineME7250321.020.96
Ala/Leu/Trp/SerME7248400.811.43
2,3,4,5,6,7-Hexahydroxyheptanoic acidME7250201.120.72
4-PyridoxolactoneME7250371.040.92
1-OleoylglycerophosphoserineME7248471.020.96
6-Methoxy-3-(2-thiazolyl)-1H-indoleME7247400.961.09
Asp/Asp/Lys/Arg/SerME7248411.020.92
Erythrose 4-phosphateME7249621.210.52
[2-hydroxy-1-(1-oxo-1H-isochromen-3-yl)butoxy]sulfonic acidME7247570.971.08
Acetyl-N-formyl-5-methoxykynurenamineME7247581.220.33
alpha-D-Man-(1->3)-[alpha-D-GlcNAc-(1->2)]-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-D-ManME7248821.060.87
N-EthylglycocyamineME7250340.951.11
2-Amino-9,10-epoxy-8-oxodecanoic acidME7247130.971.08
3-MethyleneoxindoleME7250530.981.04
6-Heptenyl glucosinolateME7247691.050.88
4-Hydroxyhexan-3-oneME7249961.030.94
FlunitrazepamME7247800.971.07
Dide-O-methylsimmondsinME7247671.030.93
Garcinia acidME7250091.220.51
2-C-Methyl-D-erythritol 4-phosphateME7249701.170.62
Gluconic acidME7250001.140.69
Ala/GluME7250260.292.60
His/Lys/Met/Pro/ValME7248600.931.16
His/His/Pro/Pro/GlnME7248591.020.96
FructoseME7249990.961.08
glycerophosphoserineME7250031.040.91
Ala/Lys/Lys/Val/TrpME7248791.060.88
DGCC(40:10)ME7249641.030.92
Adenosine diphosphate riboseME7247751.020.97
LysoPA(16:0)ME7248200.941.12
Asp/GlyME7249890.821.41
FA methyl(8:0)ME7250490.941.14
IndolepyruvateME7247391.250.50
Melatonin glucuronideME7248161.090.80
Ile/Arg/Val/Val/TyrME7248800.941.13
Ile/Ile/Ile/Gln/ValME7248650.961.09
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonateME7250151.050.88
Imidazoleacetic acidME7249730.941.14
melibionateME7247510.981.04
AngustineME7248211.030.92
Ganglioside GA1 (d18:1/22:0)ME7249870.981.04
glycero-L-galacto-OctuloseME7250331.040.90
Cys/Gly/His/Ser/SerME7247960.971.07
AllantoinME7249531.170.62
Glyceric acidME7249011.070.84
3,4-Dehydrothiomorpholine-3-carboxylateME7249791.250.25
2-amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanoic acidME7247290.941.14
2-HydroxyethanesulfonateME7248740.991.02
GluconolactoneME7249921.060.87
Asp/Asp/ProME7247621.001.00
Asp/Ile/Ile/Ile/IleME7248641.060.87
MethocarbamolME7247300.821.40
2-Dehydro-D-xylonateME7249831.130.71
5-Aminoimidazole-4-carboxamideME7249521.260.34
{[-2-(phenylmethylidene)heptyl]oxy}sulfonic acidME7247661.000.99
Monomethyl sulfateME7250541.200.60
N-(1-Deoxy-1-fructosyl)threonineME7247201.140.69
LomustineME7250470.931.15
Glu/Ser/ValME7247641.110.75
LactosamineME7247520.991.02
Heptadecanoic acidME7247991.020.95
Ile/AsnME7247170.382.40
Ile/Ile/Ile/Ile/GlnME7248690.881.27
glucosylglycerateME7250481.090.80
Glucuronic acidME7249931.010.97
Glu/ValME7247140.831.39
Ala/Gly/SerME7250280.532.07
Cys/Cys/Ser/Ser/SerME7247770.961.08
Glu/Ile/Ile/Ile/IleME7248681.010.98
HydroxyethylpromethazineME7248151.080.81
Ile/Met/Thr/TyrME7248451.020.96
Ala/AlaME7249940.342.47
Glu/Gln/Gln/Arg/TyrME7248771.190.52
Glu/Met/ProME7247761.170.48
GlucosylsphingosineME7248480.981.05
Indoleacrylic acidME7247381.210.53
HydroxymethylphosphonateME7250551.040.91
Malonic semialdehydeME7248991.050.89
Avenic acid AME7247490.951.12
Malic acidME7249571.120.73
2-phosphono-3-sulfoproprionateME7248730.981.05
LysoPS(20:4)ME7248560.981.09
Gln/Leu/Lys/TyrME7248550.981.05
Ala/Asp/GlyME7250450.901.23
Ala/Asp/Asn/Asn/ProME7248270.911.17
Ala/Asp/Asp/Phe/TrpME7248780.991.03
Ala/Ala/TyrME724773NA1.00
1-(2-methoxy-eicosanyl)-sn-glycero-3-phosphoserineME7248621.030.93
1-[(3-Carboxypropyl)amino]-1-deoxyfructoseME7247191.030.93
LongicaudatinME7248541.010.97
LysoPE(20:5)ME7248501.130.71
Ile/Gly/ValME7247650.711.44
Met/Cys/CysME7247340.981.05
N-Acetyl-D-glucosaminateME7250311.080.82
3-PhosphonopyruvateME7249001.050.91
alpha-(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate 7-phosphateME7250161.110.76
celesticetinME7248440.911.22
Ala/Ala/Asp/SerME7247631.110.79
3-SulfinoalanineME7249021.000.99
N-acetyl -D- glucosaminitolME7250350.961.09
AsparagineME7249600.951.11
Cholesterol sulfateME7248611.010.99
beta-aspartyl-L-threonineME7250270.931.15
3-O-alpha-L-rhamnopyranosyl-3-hydroxynonanoyl-3-hydroxydecanoic acidME7248510.961.09
Hydrogen phosphateME7250561.020.95
4-Amino-4-deoxychorismateME7247091.010.99
AICARME7250460.981.06
Ala/Cys/Cys/Cys/GluME7247971.080.82
Deoxyribose 5-phosphateME7249681.00NA
Cysteinosuccinic acidME7250111.050.88
Aspartic acidME7249591.050.88
FormylfusarochromanoneME7247841.150.66
2,3-Dihydro-5,5^,7,7^-tetrahydroxy-2-(4-hydroxyphenyl)[3,8^-bi-4H-1-benzopyran]-4,4^-dioneME7248431.180.27
A-Ketoglutaric acid oximeME7249800.971.07
ArabinonateME7249671.150.65
GalactinoldihydrateME7247541.100.79

Factors:

F1treatment:DMSO
F2treatment:MIPS2673
Data matrix
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