Clustering data with hclust algorithm for (Study ST004290)

HILIC NEGATIVE ION MODE (Analysis AN007134)
MetaboliteStructureF1F2F3
PS(12:0/15:1)ME1164904NA0.511.12
4-OctylphenolME11651081.490.501.01
Glu/Ile/Ile/Ile/IleME11651021.031.230.74
Orotic acidME11649280.791.350.86
Carglumic acidME11651181.340.980.67
N-Acetylglutamic acidME11651161.281.020.70
O-Succinyl-L-homoserineME11651151.300.980.72
Asn/Gln/Gln/Tyr/TyrME11651171.380.890.73
LysineME11651141.360.870.76
beta-aspartyl-L-leucineME11651131.290.920.78
Ribose 5-phosphateME11651111.280.910.82
glycerophosphoserineME11651101.260.910.83
PhosphodimethylethanolamineME11651091.260.910.84
N6-Acetyl-N6-hydroxy-L-lysineME11650411.120.920.97
Adrenochrome o-semiquinoneME11650211.090.930.97
PE(14:1/22:2)ME11650261.100.930.97
Cholesterol sulfateME11650111.080.940.98
kifunensineME11650191.080.940.97
2-trans,6-trans-FarnesalME11649961.090.891.02
HydroxyphenylacetylglycineME11650011.090.901.01
2-isocapryloyl-hydroxymethyl--butyrolactoneME11649651.070.891.05
Arachidic acidME11649721.080.881.04
2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestanME11650121.120.871.02
dehydrocheilanthifolineME11650281.130.880.99
PhenolsulfonphthaleinME11650441.130.890.97
2,4-dihydroxypent-2-enoateME11650901.160.930.90
1-StearoylglycerophosphoglycerolME11650861.160.940.91
Ala/Glu/Ile/Pro/ThrME11650811.150.940.91
GlutaminyltyrosineME11650891.150.950.90
ribose 1,3-cyclic phosphateME11650871.140.960.89
Cys/Gly/Trp/Trp/TrpME11650691.150.920.94
(2R,4S)-2,4-DiaminopentanoateME11650851.170.910.92
Avenic acid AME11650831.160.920.92
Oleic acidME11650971.220.870.91
Vitamin AME11651001.210.910.88
FA oxo(16:0)ME11649261.000.891.11
DeHAME11649250.970.931.09
phosphoglycolohydroxamateME11649341.000.931.07
Glutamic gamma-semialdehydeME11649351.000.921.07
MannitolME11649331.000.921.08
CystineME11649451.030.901.07
LeucineME11649471.020.911.06
Glycerol 3-phosphateME11650151.050.990.95
PE(16:0/22:4)ME11650041.050.990.96
2-amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanoic acidME11649981.050.980.98
SerineME11649991.050.980.97
Lysyl-GlycineME11649941.030.990.97
PS(18:2/22:6)ME11649851.030.990.98
N-hydroxy-N-succinylcadaverineME11649931.040.990.98
1,2-Di-(octadecadienoyl)-sn-glycero-3-phosphateME11649831.030.980.98
2-{[(3,5-dimethoxyphenyl)(hydroxy)methylidene]amino}acetic acidME11649881.040.980.98
PA(14:1/20:1)ME11649791.021.000.98
PA(14:1/22:2)ME11649771.021.000.98
ancymidolME11649731.011.010.98
TG(14:0/15:0/22:5)ME11649691.011.010.98
N5-acetyl-N5-hydroxy-L-ornithineME11649781.021.010.97
PA(P-42:4)ME11649811.021.010.97
1-OleoylglycerophosphoserineME11649671.020.981.00
PA(18:1/18:1)ME11649601.001.001.00
ValineME11649681.040.951.01
Ile/Ile/SerME11649911.060.950.99
Uridine 5^-monophosphateME11649821.050.951.00
Ala/Met/Asp/TyrME11649551.020.961.03
PS(18:2/0:0)ME11649561.020.951.03
9-Oxo-nonanoic acidME11649631.030.951.02
CDP-EthanolamineME11649581.030.941.03
3-thiodimethylarsenopropanoic acidME11649591.040.921.04
OrotidineME11649751.050.931.02
N-Acetyl-L-methionineME11649190.940.991.08
DecitabineME11649220.950.981.07
Succinic acidME11649240.950.981.07
ADPME11649180.911.021.07
selenium dioxideME11649160.910.991.10
DopamineME11649430.990.971.04
Inosinic acidME11649380.990.961.05
Arg/Lys/Thr/AspME11649571.010.971.02
TrigonellineME11649511.000.971.03
2-hydroxyparaconateME11649521.000.981.02
AdenosylhomocysteineME11649460.990.981.03
Ala/Asp/Ile/Ile/GlnME11649300.951.031.03
Hydrogen phosphateME11649320.951.031.02
TarennosideME11649900.961.011.03
Ala/Phe/Phe/Met/GlnME11649360.961.011.02
Cer(d18:1/24:1)ME11649370.961.021.02
Met/Cys/CysME11649310.960.991.04
Ala/Pro/Gln/Gln/ArgME11649440.981.001.02
Ile/Met/Met/Gln/ValME11649420.980.991.03
Ile/Ile/Ile/Ile/GlnME11650201.011.090.90
His/His/Arg/Arg/ArgME11650161.001.090.91
SambutoxinME11650081.001.090.91
aurothioglucoseME11651060.971.100.90
N-(4-oxoglutaryl)-L-cysteinylglycineME11650030.991.110.90
Ternatin C5ME11650641.041.100.87
1-organyl-2-acetyl-sn-glycero-3-phospholipidME11650361.031.060.91
Epsilon-(gamma-Glutamyl)-lysineME11650221.021.070.91
Ala/Leu/Thr/AlaME11650601.051.060.89
PS(16:0/20:4)ME11650461.041.060.90
Asn/Leu/Pro/SerME11649970.951.160.89
glutamyl-isopropylamideME11650000.961.150.89
N2-Succinyl-L-ornithineME11650491.001.150.85
2-C-methyl-D-erythritol-2,4-cyclodiphosphateME11650511.011.130.86
4-Amino-4-deoxychorismateME11650541.011.140.86
PS(20:3/22:6)ME11649530.981.021.00
glutathione sulfinateME11649480.971.031.00
PE(14:1/22:0)ME11649490.971.031.00
sn-glycero-3-phospho-N-(oleoyl)ethanolamineME11649500.961.060.98
PS(20:3/22:5)ME11649640.981.050.97
Isoleucyl-LysineME11649540.981.040.99
[ST (12:0) homo-seco-cholestatrien-tetrolME11649610.981.040.98
2-deoxyglucose-6-phosphateME11649920.991.070.93
N-LignoceroylsphingosineME11649740.981.070.95
PE(31:4)ME11649710.981.070.95
2-hydroxysuccinamateME11649761.001.040.96
PE(14:0/18:0)ME11649270.991.040.96
TheanineME11649701.001.030.97
N-Succinyl-L-glutamateME11649801.011.030.96
PS(18:0/22:4)ME11649861.011.030.96
Uridine diphosphate-N-acetylglucosamineME11649891.011.040.95
tetrahydrogeranylgeranyl-bacteriopheophytinME11649951.011.050.94
N-(eicosanoyl)-tetradecasphing-4-enineME11649841.001.050.95
PI(18:0/20:3)ME11649871.001.060.94
PG(54:0)ME11649400.931.090.98
Lysyl-ValineME11649660.951.110.94
threo-tetruronateME11649620.941.130.93
SanguinarineME11650791.081.050.87
Isoleucyl-AlanineME11650611.071.030.90
Cysteinosuccinic acidME11650701.081.040.88
CMP-2-aminoethylphosphonateME11650671.071.040.89
Sulfinpyrazone sulfideME11650631.071.040.89
5-epi-valiolone 7-phosphateME11650621.091.000.91
4^-PhosphopantothenateME11650681.091.010.90
Ophthalmic acidME11650651.081.010.90
1-StearoylglycerophosphoinositolME11650741.091.020.88
2,7-Anhydro-alpha-N-acetylneuraminic acidME11650721.091.030.88
(R) 2,3-Dihydroxy-3-methylvalerateME11650731.101.010.89
Sorbitol-6-phosphateME11650761.101.020.89
PS(20:3/18:3)ME11650391.061.020.92
Pipercyclobutanamide AME11650431.061.020.92
N5-formyl-N5-hydroxy-L-ornithineME11650401.061.020.92
PG(16:0/22:4)ME11650381.061.020.92
Ala/Ala/Asp/TyrME11650571.071.020.91
FenugreekineME11650471.071.010.92
PI(16:0/20:3)ME11650321.061.000.93
PS(18:1/20:4)ME11650301.061.010.93
Monoglyceride citrateME11650181.051.010.94
PG(16:0/22:5)ME11650311.051.020.93
Ile/Ile/Ile/Ile/ThrME11649391.031.030.95
2-{[hydroxy(2,3,4-trimethoxyphenyl)methylidene]amino}acetic acidME11650051.041.010.95
PS(18:0/20:4)ME11650061.041.010.95
3-PropylmalateME11650091.031.040.94
6-Butyryl-5,7-dihydroxy-8-(3^,3^-dimethylallyl)-4-phenylcoumarinME11650171.031.040.93
Glucose 6-phosphateME11650101.031.040.93
Cys/Cys/Cys/Phe/MetME11650141.031.050.93
PS(18:0/22:5)ME11650021.021.050.93
D-Man-4,6-pyruvateME11650251.041.040.92
PE(18:1/14:0)ME11650351.051.030.92
AsparagineME11650131.060.970.96
PE(14:0/22:5)ME11650231.070.980.95
PE(18:1/18:1)ME11650241.080.970.96
PG(18:0/22:5)ME11650341.080.970.95
Ile/Ile/Ile/Ile/SerME11650501.081.000.92
6,7-Dihydroxy-5,4^-dimethoxy-flavyliumME11650451.080.990.93
PE(14:0/20:3)ME11650481.081.000.93
15(R)-hydroperoxy-EPEME11650591.090.980.92
PG(18:0/18:1)ME11650531.090.980.93
PC(15:0/18:4)ME11650561.090.980.93
1-(2-methoxy-octadecanyl)-sn-glycero-3-phosphoserineME11650521.090.980.93
His/Ile/Ile/Arg/ArgME11650551.090.980.93
3-[4-amino-3-hydroxybutyl]-hydroxy-carbamoyl-propanoateME11650581.100.970.93
DGCC(20:5/20:5)ME11650421.090.970.94
PC(15:0/20:5)ME11650781.111.000.89
4-Acetamido-2-aminobutanoic acidME11650771.110.990.90
N-acetyl-tabtoxinine--lactamME11650801.120.990.90
Sedoheptulose 7-phosphate(2-)ME11650821.130.980.90
cyclopropane phosphatidylglycerol (dihexadec-9,10-cyclo-anoyl, n-C16:0 cyclo)ME11650661.110.970.92
4S,5R)-2-amino-4,5,6-trihydroxyhex-2-enoateME11650711.120.970.91
HydroxymethylphosphonateME11650751.120.970.91
1-(sn-Glycero-3-phospho)-myo-inositolME11650991.160.980.86
(3S,8R,9S)-3,9-dihydroxy-4,8-dimethyldeca-4,6-dienoateME11650921.140.980.88
PG(16:0/18:1)ME11650911.130.990.88
1-amino-2-phosphorylethylphosphonateME11650841.071.080.84
1-hexadecanoyl-sn-glycero-3-phospho-(1^-sn-glycerol)ME11650981.101.090.81
Glutamic acidME11650951.101.080.82
coptisineME11651121.221.010.78
LysoPE(0:0/20:4)ME11650881.111.010.87
tunicamineME11650271.131.020.87
Cys/Cys/Cys/Asn/TyrME11651011.151.020.83
Asp/Leu/Lys/AspME11650931.131.020.85
2,3-diacetamido-2,3-dideoxy--D-mannuronateME11650941.131.030.84
gamma-GlutamylglycineME11650961.131.030.84
Dihydroxyacetone phosphateME11651041.200.960.84
3-Deoxy-D-manno-octulosonate 8-phosphateME11651071.171.020.81
Ile/Ile/Ile/Ile/AsnME11651031.171.000.83
kauralexin A1ME11651051.180.990.83
HistidineME11649130.841.091.07
Phosphoenolpyruvic acidME11649150.851.101.05
Ala/Lys/Ala/AlaME11649230.891.121.00
Ile/Lys/Gln/TyrME11649200.881.111.01
2-Hydroxy-3-(phosphonatooxy)propanoateME11649210.901.081.02
Cer(d18:0/22:1)ME11649170.881.071.05
Lysergic acidME11649410.851.011.19
Isoleucyl-ThreonineME11649100.791.091.12
Hydantoin-5-propionic acidME11649050.681.141.18
diazaborineME11649060.701.111.19
Dihydrozeatin-O-glucosideME11649070.711.101.19
erythronateME11649140.960.851.19
N-Acetyl-D-glucosaminateME11649120.920.851.22
potassium dihydrogen phosphateME11649110.930.821.24
Fructose 2,6-bisphosphateME11649080.840.891.27
methanofuran biosynththesis intermediate MF3ME11649090.890.851.27
Lactic acidME11649291.070.771.16
N-Undecylbenzenesulfonic acidME11650071.180.751.07
2-Dodecylbenzenesulfonic acidME11650331.200.751.05
2-(4-sulfophenyl)decaneME11650291.200.741.06
Pyruvic acidME11650371.200.741.05

Factors:

F1Sample source:iRBC | factor:DMSO
F2Sample source:iRBC | factor:WEHI-024
F3Sample source:iRBC | factor:WEHI-601
Data matrix
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