Clustering data with hclust algorithm for (Study ST004194)

HILIC NEGATIVE ION MODE (Analysis AN006967)
MetaboliteStructureF1F2
Valeric acidME11293510.941.06
Uridine triphosphateME11293501.770.23
Uridine diphosphate-N-acetylgalactosamineME11293490.951.05
Uridine diphosphategalactoseME11293480.961.04
Uridine 5^-monophosphateME11293470.891.11
Uridine 5^-diphosphateME11293461.380.62
Uric acidME11293450.701.30
Undecanoic acidME11293440.991.01
tunicamineME11293431.260.74
Tuberculostearic acidME11293421.090.91
Traumatic acidME11293411.080.92
trans-Carveol glucosideME11293400.861.14
Thr/ThrME11293381.480.52
Thr/SerME11293371.320.68
threo-SyringoylglycerolME11293390.961.04
Tetranor-PGE1ME11293361.010.99
TaurineME11293350.851.15
SulfatideME11293340.871.13
SulfateME11293331.470.53
SFN-GSH fragmentME1129332NA1.00
SFN-GSH adductME1129331NA1.00
Sedoheptulose 7-phosphate(2-)ME11293300.911.09
SecobarbitalME11293290.901.10
SaccharinME11293281.110.89
RiboseME11293270.981.02
Riboflavine 2^,3^,4^,5^-tetrabutanoateME11293261.050.95
Retinyl esterME11293251.020.98
Quinic acidME11293240.931.07
Pyrrole-2-carboxylic acidME11293230.911.09
Pro/Thr/Gly/SerME11293210.961.04
ProacacipetalinME11293220.801.20
Prenyl glucosideME11293200.991.01
Pimelic acidME11293190.941.06
PI(38:6)ME11293180.861.14
PhytuberinME11293170.941.06
PhosphonoacetaldehydeME11293160.871.13
PhosphodimethylethanolamineME11293150.861.14
PhenolsulfonphthaleinME11293141.120.88
Phe/AspME11293131.360.64
Phaseolic acidME11293120.881.12
PG(33:2)ME11293110.931.07
PG(33:1)ME11293101.001.00
PE(34:3)ME11293090.871.13
PE(34:2)ME11293080.901.10
P-DPDME11293071.070.93
p-aminobenzoyl glutamateME11293061.060.94
Palmitoleic acidME11293051.030.97
Oxoglutaric acidME11293041.080.92
Oxoadipic acidME11293031.090.91
OrotidineME11293020.981.02
Orotic acidME11293011.670.33
O-AcetylserineME11293000.971.03
N-Undecylbenzenesulfonic acidME11292990.651.35
N-UndecanoylglycineME11292980.941.06
N-Succinyl-L-glutamateME11292971.040.96
N-PalmitoylsphingosineME11292961.080.93
NonateME11292951.010.99
N-NonanoylglycineME11292940.881.12
N-Gluconyl ethanolamine phosphateME11292930.901.10
Ngaione (-)ME11292920.951.05
N-D-GlucosylarylamineME11292910.821.18
N-DecanoylglycineME11292900.991.01
N-Acetylglutamic acidME11292890.791.21
N-Acetyl-D-glucosaminateME11292880.931.07
N-acetyldemethylphosphinothricyl-L-alanyl-L-leucineME11292870.861.14
N-AcetylcystathionineME11292860.871.13
N-(4-oxoglutaryl)-L-cysteinylglycineME11292841.500.50
N2-Succinyl-L-ornithineME11292851.170.83
Minabeolide-7ME11292830.961.04
MethyleugenolME11292821.120.88
Mannitol 1-phosphateME11292810.961.04
MannitolME11292800.811.19
Malic acidME11292791.050.95
LysoPS(18:2)ME11292780.621.31
LysoPS(18:1)ME11292770.571.43
LysoPG(16:0)ME11292761.190.81
LysoPE(18:1)ME11292750.981.02
LysoPE(18:0)ME11292740.931.07
LysoPE(16:0)ME11292730.901.10
Lys/Arg/Arg/Arg/ArgME11292720.911.09
LactoylglutathioneME11292711.340.66
Lactic acidME11292701.170.83
kifunensineME11292690.931.07
Jasmolone glucosideME11292680.951.05
IsopropylmaleateME11292670.821.18
Inositol cyclic phosphateME11292661.001.00
Inosinic acidME11292651.240.76
Ile/Ile/Ile/Ile/SerME11292641.110.91
Ile/Ile/Ile/Ile/LysME11292630.991.01
Ile/Ala/SerME11292620.971.03
Hydrogen phosphateME11292611.250.75
Hydantoin-5-propionic acidME11292601.400.60
HomoglutathioneME11292590.981.02
His/Lys/Lys/Thr/TrpME11292581.020.98
Hippuric acidME11292571.001.00
Guanosine diphosphate mannoseME11292560.961.04
GlycerophosphoglycerolME11292551.040.96
Glycerol tributanoateME11292540.941.06
Glycerol 3-phosphateME11292530.961.04
Glycerol 1-propanoate diacetateME11292520.991.01
Glyceric acidME11292511.070.93
glutathione sulfinateME11292501.080.92
Glu/Phe/Phe/Ile/ProME11292451.100.92
Glu/Ile/Ile/Ile/MetME11292440.981.02
Glu/Gly/ValME11292431.230.77
Glu/GlyME11292421.180.82
Glu/Glu/Gln/IleME11292411.140.86
Glucuronic acidME11292490.981.02
glucosylglycerateME11292480.941.06
GlucoseME11292470.931.07
Gluconic acidME11292460.961.04
Gentisate aldehydeME11292400.891.11
GDP-3,6-dideoxy-D-galactoseME11292390.901.10
Garcinia lactone dibutyl esterME11292381.001.00
gamma-GlutamylvalineME11292371.030.97
gamma-GlutamylleucineME11292361.130.87
GalactinoldihydrateME11292350.901.10
GabaculineME11292341.030.97
FructoseME11292331.110.89
FA methyl(8:0)ME11292320.941.06
FA hydroxy(7:0)ME11292310.881.12
FA (20:3)ME11292301.010.99
FA (18:3)ME11292291.001.00
FA (12:1) Decenedioic acidME11292280.811.19
ErythroseME11292271.140.86
Erythronic acidME11292260.911.09
erucamideME11292250.921.08
DopamineME11292241.010.99
dodecyl sulfateME11292230.971.03
Dodecanoic acidME11292221.020.98
D-Mannose 1-phosphateME11292210.991.01
Dimethyl adipateME11292200.851.15
Diethyl oxalpropionateME11292190.851.15
Diethyl (2R,3R)-2-methyl-3-hydroxysuccinateME11292180.931.07
D-Glucono-1,5-lactoneME11292170.961.04
DepdecinME11292160.931.07
Cys/Met/Gln/Trp/TyrME11292150.901.10
Cyclic ADP-riboseME11292140.951.05
ConvicineME11292130.951.05
CladinoseME11292121.020.98
cis-Aconitic acidME11292111.190.81
Cholic acidME11292101.070.93
Cer(d42:2)ME11292090.951.05
Caprylic acidME11292080.901.10
Capric acidME11292070.971.03
C8H11NO6SME11292060.461.54
BotrydialME11292051.060.94
Asp/Ile/Pro/Gln/GlnME11292031.130.87
Asp/Ile/Ile/Met/ValME11292020.901.10
Asp/Ile/Ile/Ile/IleME11292010.811.19
Asp/His/Ile/Thr/ThrME11292001.150.85
Asp/GlyME11291991.490.51
Asp/Gln/TyrME11291981.210.79
Aspartic acidME11292041.030.97
Asn/Leu/Ser/TyrME11291971.320.68
ascr#13ME11291961.030.97
Arg/Met/Trp/HisME11291951.060.94
ArecolineME11291940.881.12
Arachidonic acidME11291930.961.04
Arachidic acidME11291920.991.01
ancymidolME11291910.951.05
AMPAME11291901.180.82
Amidosulfonic acidME11291890.991.01
Alpha-Ketooctanoic acidME11291881.100.90
alpha-IroneME11291870.911.09
Alpha-dihydroartemisininME11291860.961.04
Ala/Leu/Thr/AlaME11291850.931.07
Ala/His/Met/Met/GlnME11291840.771.23
Ala/Glu/Ile/SerME11291830.931.07
Ala/Glu/Glu/Pro/GlnME11291821.420.58
Ala/Glu/Ala/GluME11291810.971.03
Ala/Asp/Gly/TyrME11291800.851.15
Ala/Asp/Glu/Lys/TyrME11291791.170.83
Ala/Asp/Gln/TyrME11291781.290.71
Ala/AspME11291771.490.51
AdluponeME11291760.911.09
Adenosine diphosphate riboseME11291750.951.05
(9xi,10xi,12xi)-9,10-Dihydroxy-12-octadecenoic acidME11291260.851.15
7-Hydroxymethyl-12-methylbenz[a]anthracene sulfateME11291741.200.80
7,8-diketopelargonateME11291731.030.97
5-Thymidylic acidME11291721.460.54
5-Methyldeoxycytidine diphosphateME11291711.020.98
5-hydroxy-3-[(3aS,4S,5R,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoateME11291700.941.06
5-Hexyltetrahydro-2-oxo-3-furancarboxylic acidME11291691.070.93
4^-PhosphopantothenateME11291680.841.16
4-OxoprolineME11291671.150.85
4-O-beta-D-glucosyl-indol-3-yl formamideME11291660.961.04
4-Hydroxyhexan-3-oneME11291650.881.12
4-Amino-4-deoxychorismateME11291641.020.98
4,5-Dihydroorotic acidME11291631.430.49
3a,7b,12a-Trihydroxyoxocholanyl-GlycineME11291621.170.83
3a,7a-Dihydroxycholanoic acidME11291610.981.02
3,4,5-trihydroxy-6-(2-{5-hydroxy-8,8-dimethyl-2-oxo-2H,8H-pyrano[2,3-f]chromen-4-yl}phenoxy)oxane-2-carboxylic acidME11291601.010.99
3-(1-Formyl-1-propenyl)pentanedioic acidME11291590.871.13
(2R,4S)-2,4-DiaminopentanoateME11291251.120.88
2-oxosuberateME11291580.911.09
2-Octenoic acidME11291570.881.12
2-OctenedioicacidME11291560.901.10
2-Octenedioic acidME11291551.040.96
2-Methylhexanoic acidME11291540.841.16
2-Keto-glutaramic acidME11291530.871.13
2-Isopropyl-3-oxosuccinateME11291520.901.10
2-HydroxyundecanoateME11291511.110.89
2-hydroxytridecanoateME11291501.250.75
2-hydroxynonanoic acidME11291491.770.23
2-Hydroxyglutaric acidME11291480.971.03
2-HydroxyethanesulfonateME11291470.991.01
2-{[hydroxy(2,3,4-trimethoxyphenyl)methylidene]amino}acetic acidME11291411.020.98
2-Dodecylbenzenesulfonic acidME11291460.601.40
2-dehydropantolactoneME11291450.941.06
2-C-methyl-D-erythritol-2,4-cyclodiphosphateME11291441.180.82
2-amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanoic acidME11291430.911.09
2-amino-2-deoxy-isochorismateME11291421.030.97
2,7-Anhydro-alpha-N-acetylneuraminic acidME11291390.991.01
2,5,6-Trihydroxy-5,6-dihydroquinolineME11291381.080.92
2-(4-sulfophenyl)decaneME11291350.681.32
2,3-Dihydroxycyclopentaneundecanoic acidME11291371.020.98
2-{[(3,5-dimethoxyphenyl)(hydroxy)methylidene]amino}acetic acidME11291401.020.98
2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohexanetrioneME11291360.961.04
1-StearoylglycerophosphoserineME11291340.731.27
1-StearoylglycerophosphoinositolME11291330.941.06
1-OleoylglycerophosphoserineME11291320.641.36
1-OleoylglycerophosphoinositolME11291311.070.93
13-cis-RetinalME11291300.891.11
1-(2-methoxy-octadecanyl)-sn-glycero-3-phosphoserineME11291280.861.14
1,1^-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanoneME11291291.001.00
1-(2-methoxy-eicosanyl)-sn-glycero-3-phosphoserineME11291270.941.05

Factors:

F1Treatment:DMSO | Sample source:iRBC
F2Treatment:Sulforaphane-30uM-3h | Sample source:iRBC
Data matrix
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