Clustering data with hclust algorithm for (Study ST001040)

Reversed phase NEGATIVE ION MODE (Analysis AN001703)
MetaboliteStructureF1F2
Thiopurine S-MethyletherME251689NA1.00
FerulateME251702NA1.00
MEHHP (Mono-2-ethyl-5-hydroxyhexyl phthalate)ME251727NA1.00
MECPP (Mono-2-ethyl-5-carboxypentyl phthalate)ME2517260.801.50
Pregnenolone SulfateME2517290.851.37
Bisphenol SME2517110.471.24
ErucateME2517520.361.16
MelatoninME2517100.671.11
IndoleacetaldehydeME2516710.691.22
cx-MiDP (MCNP) (Mono(2,7-dimethyl-7-carboxyheptyl) phthalate / Monocarboxyisodecyl phthalate )ME2517340.651.29
LinoleateME2517470.611.23
2-MethylglutarateME2516761.580.89
Butyl ParabenME2517351.620.88
3-HydroxybenzoateME2516971.410.92
3-MethyglutarateME2516731.460.91
AdipateME2516721.450.91
EthylmalonateME2516701.270.94
3-(2-Hydroxyphenyl)PropanoateME2517061.300.94
6-CarboxyhexanoateME2516921.300.94
MEHPME2517461.260.98
MEP (Mono-ethyl phthalate)ME2517181.250.95
CortisoneME2517221.230.95
N-Formyl-L-MethionineME2516751.230.96
AzelateME2517191.200.96
4-HydroxybenzoateME2516881.190.96
Acetyl-L-LeucineME2516991.190.96
GuaiacolME2516871.170.97
SuberateME2517051.180.97
BenzylamineME2516811.150.97
GlycocholateME2517331.140.97
MBzPME2517311.140.97
NormetanephrineME2517411.080.98
SorbateME2516831.100.98
RiboflavinME2516961.100.98
HomovanillateME2516901.100.98
CholateME2517381.100.98
3-Methoxy-4-HydroxymandelateME2516651.100.98
3-Methyl-2-OxindoleME2516801.100.98
RosmarinateME2517121.110.98
EstriolME2517211.110.98
N-Acetylphenylalanine / Indole-3-EthanolME2517001.110.98
OxoadipateME2516641.130.97
HydroxyphenyllactateME2516781.130.98
PhenylacetateME2516791.120.98
CaprylateME2517201.120.98
HippurateME2516821.120.98
Indoxyl SulfateME2516771.001.00
SalsolinolME2517420.991.00
3-Methyl-2-OxovalerateME2516840.991.00
2-HydroxyphenylacetateME2516860.991.00
2,3-DihydroxybenzoateME2516930.991.00
2-Hydroxy-4-(Methylthio)ButanoateME2516740.991.00
Glycolithocholic AcidME2517451.040.99
Taurodeoxycholic AcidME2517361.030.99
Dihydroxyacetone PhosphateME2517281.030.99
2-HydroxybutyrateME2516681.030.99
2OH-MBP (Mono(2-hydroxy-isobutyl)phthalate) / 3OH-MBP (Mono-(3-hydroxy-n-butyl) phthalate)ME2517131.030.99
3-MethoxytyramineME2517431.011.00
Anthranilate / 4-AminobenzoateME2517011.021.00
P-HydroxyphenylacetateME2516851.021.00
PalmitateME2517480.901.02
2-MethylmaleateME2516670.911.02
4-QuinolinecarboxylateME2516660.911.03
ItaconateME2516690.971.01
Salicylate / HydroquinoneME2517170.971.01
Stearic AcidME2517500.941.01
ArachidateME2517510.951.01
Dodecanedioic AcidME2517320.951.01
m-Coumaric acidME2517070.771.10
Elaidate / Oleate /PetroselinateME2517490.801.04
CortisolME2517240.851.06
Indole-3-AcetateME2517090.851.04

Factors:

F1Sample Type/Matrix:Pooled quality control sample
F2Sample Type/Matrix:urine
Data matrix
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