Clustering data with hclust algorithm for Metabolite signatures in trauma patients with venous thromboembolism (VTE) (Study ST000552)

Reversed phase NEGATIVE ION MODE (Analysis AN000844)
MetaboliteStructureF1F2
LysoPE (22:6)ME1659700.711.29
2,4-Dinitrophenol (herbicide)ME1658770.601.40
3-(4-HYDROXYPHENYL)LACTATEME1658790.621.38
GLYCOCHOLATE_R1ME1659360.631.37
Pimelic AcidME1659920.461.64
2^,4^-DIHYDROXYACETOPHENONEME1658760.281.72
4-HYDROXY-2-QUINOLINECARBOXYLIC ACIDME1658910.341.79
CITRATEME1659190.791.21
4-METHYL-2-OXO-PENTANOIC ACIDME1658930.811.19
VanillolosideME1660100.801.20
N-ACETYLGLYCINEME1659790.861.14
LysoPE (20:4)ME1659690.851.15
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONEME1659300.851.15
ETHYLMALONIC ACIDME1659280.851.15
ANTHRANILATEME1659030.851.15
3-METHYL-2-OXOVALERIC ACIDME1658840.851.15
4-ACETAMIDOBUTANOATEME1658890.851.15
D-SACCHARIC ACIDME1659270.891.11
AZELAIC ACIDME1659070.881.12
GLUTARATEME1659330.871.13
GLYCOCHOLATE_R2ME1659371.210.79
a-LINOLENIC ACIDME1658981.190.81
Linoleic Acid (18:2)ME1659561.200.80
Chenodeoxycholic Acid (CDCA)_R3ME1659161.200.80
Kynurenic AcidME1659451.200.80
L-GLUTAMIC ACIDME1659531.100.90
3-SULFINO-L-ALANINEME1658871.110.89
Ferulic acid sulfateME1659291.110.89
ALPHA-KETOGLUTARIC ACID+2HME1659021.120.88
Glycoursodeoxycholic acid (G-UDCA)ME1659401.120.88
MALATEME1659711.160.84
3-METHOXY-4-HYDROXYMANDELATEME1658831.170.83
TARTARIC ACIDME1660001.170.83
Arachidonic Acid (20:4)ME1659041.150.85
Plasmenyl-LysoPE (P-18:1)ME1659931.140.85
4-HYDROXYBENZALDEHYDEME1658921.130.87
4-COUMARATEME1658901.140.86
L-2-PHOSPHOGLYCERIC ACIDME1659461.140.87
ASPARTATEME1659060.961.04
LACTATE-dimerME1659480.961.04
CITRAMALATEME1659180.951.05
L-Cysteine-S-SulfateME1659510.951.05
3-methyladipic acid_R1ME1658850.921.08
XylenesulfonateME1660130.921.08
Glycocholic Acid (GCA)ME1659380.931.07
1,2-Benzisothiazolin-3-oneME1658750.931.07
3-methyladipic acid_R2ME1658860.931.07
XANTHINEME1660120.941.06
N-FORMYLGLYCINEME1659900.941.06
3-tert-Butyladipic acidME1658880.941.06
NALPHA-ACETYL-L-LYSINEME1659820.941.06
TAURINEME1660011.060.94
L-ISOLEUCINE_R1ME1659571.060.94
L-GLUTAMINEME1659541.060.94
4-oxoprolineME1658941.060.94
5-HYDROXY-L-TRYPTOPHANME1658961.060.94
ProlineME1659941.050.95
N-ACETYL-L-LEUCINEME1659811.050.95
L-HISTIDINEME1659551.050.95
CITRULLINEME1659211.050.95
Docosahexaenoic Acid (22:6)ME1659261.050.95
Catechol Sulfate_R2ME1659131.090.91
THREONINE/HOMOSERINEME1660051.090.91
SulfoacetaldehydeME1659991.080.92
N-ACETYL-DL-GLUTAMIC ACIDME1659771.080.92
LysoPE (18:0)ME1659671.080.92
L-CYSTEIC ACIDME1659501.080.92
LEUCINEME1659521.080.92
URIDINEME1660090.991.01
SUCCINIC ACID-13C4ME1659980.991.01
Salicylic Acid-D4ME1659950.991.01
N-BOC-L-tert-Leucine_R2ME1659870.991.01
N-BOC-L-Aspartic Acid_R2ME1659850.991.01
N-BOC-L-Aspartic Acid_R1ME1659840.991.01
LysoPE (18:1)ME1659680.991.01
InosineME1659430.991.01
GLYCERIC ACID_R1ME1659340.991.01
Dinoterb (herbicide)ME1659240.991.01
Cholic AcidME1659170.991.01
C6H12O6-HEXOSE/KETOSE/INOSITOLME1659100.991.01
3-(2-HYDROXYPHENYL)PROPANOATEME1658780.991.01
3-HYDROXY-3-METHYLGLUTARATEME1658810.991.01
L-Tyrosine-13C6ME1659631.001.00
D-GLUCURONIC ACID/D-GLUCURONOLACTONE/D-(+)-GALACTURONIC ACIDME1659231.001.00
L-CARNITINEME1659491.001.00
L-METHIONINEME1659600.971.03
SUCCINATEME1659970.981.02
N-BOC-L-tert-Leucine_R1ME1659860.981.02
N-AMIDINO-L-ASPARTATEME1659830.981.02
LysoPE (16:0)ME1659660.981.02
L-Phenylalanine-13C6ME1659610.981.02
GLYCERIC ACID_R2ME1659350.981.02
GLUCOSE/FRUCTOSE_R1ME1659310.981.02
GLUCOSE/FRUCTOSE_R2ME1659320.981.02
URATEME1660081.020.98
Tryptophan-2,3,3-D3ME1660071.020.98
N-ACETYL-L-ALANINEME1659801.020.98
LysoPC (18:1)ME1659651.020.98
LACTATEME1659471.020.98
HYPOXANTHINEME1659411.020.98
3-Aminosalicylic acidME1658801.020.98
ALLANTOINME1658991.020.98
N-METHYL-L-GLUTAMATEME1659911.010.99
INDOLE-3-ACETATEME1659421.010.99
CITRIC ACID-13C6ME1659201.010.99
Catechol Sulfate_R1ME1659121.010.99
Caffeic AcidME1659111.010.99
BOC-L-Tyrosine_R2ME1659091.010.99
BOC-L-Tyrosine_R1ME1659081.010.99
3-Hydroxydecanoic acidME1658821.010.99
ALPHA-HYDROXYISOBUTYRIC ACIDME1659001.010.99
TryptophanME1660061.030.97
SARCOSINE/BETA-ALANINEME1659961.030.97
N-BOC-L-Tryptophan_R2ME1659891.030.97
N-BOC-L-Tryptophan_R1ME1659881.030.97
Mono-(2-Ethylhexyl) Phthalate DimerME1659741.030.97
L-KYNURENINEME1659591.030.97
L-ISOLEUCINE_R2ME1659581.030.97
ISOCITRIC ACIDME1659441.030.97
5-hydroxyindoleacetic acidME1658951.030.97
6-Hydroxycaproic acidME1658971.030.97
Monobutyl phthalateME1659761.040.96
L-VALINEME1659641.040.96
CREATINEME1659221.040.96
L-TYROSINEME1659621.040.96
DISACCHARIDE (6C/6C)/2-alpha-D-glucosyl-D-glucoseME1659251.250.75
ASCORBIC ACIDME1659051.290.71
N-ACETYL-DL-SERINEME1659781.280.72
VanilloylglycineME1660111.400.60
Taurocholic acid (TCA)ME1660031.370.63
ALPHA-KETOGLUTARIC ACIDME1659011.350.65
Glycodeoxycholic acid (GDCA)ME1659391.340.66
Taurochenodesoxycholic acid (T-CDCA)ME1660021.640.36
MannitolME1659721.560.44
Mono-(2-Ethylhexyl) Phthalate TrimerME1659751.560.44
Tauroursodeoxycholic acid (T-UDCA)ME1660041.440.45
Chenodeoxycholic Acid (CDCA)_R1ME1659141.500.47
Chenodeoxycholic Acid (CDCA)_R2ME1659151.490.51
Mono-(2-Ethylhexyl) PhthalateME1659731.470.53

Factors:

F1VTE:no
F2VTE:yes
Data matrix
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