Clustering data with hclust algorithm for BALF Control vs ALI by RPLC-MS (Study ST000042)

MS negative ion mode (Analysis AN000065)
MetaboliteStructureF1F2
11-BETA-HYDROXYANDROST-4-ENE-3,17-DIONEME646861NA1.00
3-HYDROXYBUTANOIC ACIDME646879NA1.00
TESTOSTERONEME6470991.240.76
ALPHA-TOCOPHEROL (*)ME6469061.150.71
DOCOSAHEXAENOIC ACIDME6469671.100.70
N-ACETYLSEROTONINME6470381.090.74
AZELAIC ACIDME6469211.050.70
CHOLATEME6469391.050.65
LAURIC ACIDME6470151.030.68
PREGN STEROID MONOSULFATE (*)ME6470731.030.66
OLEOYLGLYCEROPHOSPHOETHANOLAMINE (*)ME6470461.050.56
TARTARIC ACIDME6470941.090.56
RETINOATEME6470801.020.60
MYRISTIC ACIDME6470291.050.61
N-METHYLTRYPTAMINEME6470421.080.62
17ALPHA-HYDROXYPROGESTERONEME6468621.140.86
DESMETHYLNAPROXEN SULFATE (*)ME6469591.020.80
HEPTADECANOATEME6469941.010.80
5-OXO-PROLINEME6468971.030.78
N-ACETYL-L-ASPARTIC ACIDME6470331.030.76
BEHENIC ACIDME6469221.030.76
DEOXYRIBOSEME6469581.030.76
PHTHALATEME6470711.010.84
CAPRYLIC ACIDME6469361.010.88
N-ACETYL-L-LEUCINEME6470351.010.86
BOC-THR-OHME6469341.050.89
ALDOSTERONEME6469031.010.91
OLEATEME6470451.010.92
HEXACOSANOIC ACIDME6469970.921.38
HYDROXYBENZOIC ACIDME6470040.901.40
BENZOINME6469230.931.28
CIS-7,10,13,16-DOCOSATETRAENOIC ACIDME6469450.971.27
DOCOSAPENTAENOATE (*)ME6469680.971.31
TRYPTOPHANAMIDEME6471050.931.13
STEARATEME6470900.991.11
[C13] PHENYLALANINEME6468580.991.14
BIOTINME6469250.991.12
CYSTEIC ACIDME6469530.991.13
THYMIDINEME6471010.971.21
BOC-ALA-OHME6469270.981.16
CHOLINE PHOSPHATEME6469420.991.18
TAUROCHOLATE (*)ME6470971.010.95
BOC-ASP-OHME6469291.000.96
CYSTINEME6469541.010.96
HYDROXYDECANOATE (*)ME6470051.010.98
PENTITOLME6470641.000.99
3-HYDROXYBENZALDEHYDEME6468781.000.99
DEOXYCORTICOSTERONE ACETATEME6469571.000.99
DIMETHYLXANTHINEME6469651.001.00
ERUCIC ACIDME6469731.001.00
PALMITIC ACIDME6470560.991.09
PIMELIC ACIDME6470720.991.09
BOC-PHE-OHME6469330.991.06
5,6-DIHYDROURACILME6468920.991.06
BOC-ASNME6469280.991.06
UROCANATEME6471080.991.07
NONANOATEME6470430.991.07
5-HYDROXYINDOLE-3-ACETIC ACIDME6468960.991.07
[C13] METHIONINEME6468570.991.07
ALLANTOINME6469040.971.03
DIMETHYLXANTHINE (*)ME6469660.981.04
4-AMINOBENZOATEME6468821.001.04
[C13] VALINEME6468601.001.03
ARACHIDIC ACIDME6469141.001.02
[C13] TYROSINEME6468591.001.01
PALMITOLEATE (*)ME6470571.530.47
XANTHOSINEME6471111.00NA
URSODIOLME6471091.00NA
URATEME6471061.00NA
TRIDECANOIC ACIDME6471031.00NA
THYROTROPIN RELEASING HORMONEME6471021.00NA
TAUROLITHOCHOLATEME6470981.00NA
SUBERIC ACIDME6470921.00NA
STACHYOSEME6470891.00NA
SHIKIMATEME6470881.00NA
S-HEXYL-GLUTATHIONEME6470871.00NA
SELENOMETHIONINEME6470861.00NA
(S)-DIHYDROOROTATEME6468551.00NA
SALICYLURIC GLUCURONIDE (*)ME6470851.00NA
SALICYLIC ACID (*)ME6470841.00NA
SALICYLIC ACIDME6470831.00NA
RIBOSE 5-PHOSPHATEME6470821.00NA
RIBOFLAVINME6470811.00NA
RAFFINOSEME6470791.00NA
QUINATEME6470781.00NA
PYRIDINE-2,3-DICARBOXYLATEME6470761.00NA
PROLINEME6470751.00NA
PREGNENOLONEME6470741.00NA
PHOSPHONOACETATEME6470701.00NA
PHOSPHOETHANOLAMINEME6470691.00NA
PHOSPHOCREATINEME6470681.00NA
PHENYLACETATE (*)ME6470651.00NA
P-BROMO-DL-PHENYLALANINEME6470631.00NA
PANTOTHENIC ACIDME6470621.00NA
PANTOATEME6470611.00NA
PALMITOYLGLYCEROPHOSPHOINOSITOL (*)ME6470601.00NA
PALMITOYLGLYCEROPHOSPHOETHANOLAMINE / PALMITOYLPLASMENYLETHANOLAMINE (*)ME6470591.00NA
P-ACETAMIDOPHENYLGLUCURONIDE (*)ME6470551.00NA
OXOMALONATEME6470541.00NA
OXALATEME6470531.00NA
O-SUCCINYL-L-HOMOSERINEME6470521.00NA
OROTATEME6470511.00NA
ORNITHINEME6470501.00NA
OPHTHALMIC ACIDME6470491.00NA
O-PHOSPHONOHEXOPYRANOSEME6470481.00NA
O-PHOSPHO-DL-SERINEME6470471.00NA
N-FORMYLGLYCINEME6470411.00NA
NERVONIC ACIDME6470401.00NA
N-BENZYLOXYCARBONYLGLYCINEME6470391.00NA
N-ACETYLNEURAMINATEME6470371.00NA
N-ACETYL-L-PHENYLALANINEME6470361.00NA
N-ACETYL-L-CYSTEINEME6470341.00NA
N-ACETYLGLYCINEME6470321.00NA
MYO-INOSITOLME6470281.00NA
METHYL BETA-D-GALACTOSIDEME6470271.00NA
METHIONINEME6470251.00NA
MELATONINME6470241.00NA
MALONATEME6470231.00NA
LUMICHROMEME6470211.00NA
LIGNOCERIC ACIDME6470181.00NA
LEUCENOLME6470171.00NA
LAUROYLCARNITINEME6470161.00NA
LACTATE (*)ME6470141.00NA
KYNURENINEME6470131.00NA
ISOLEUCINE/LEUCINE (*)ME6470121.00NA
INDOLEPROPIONATE (*)ME6470101.00NA
INDOLE-3-ETHANOLME6470091.00NA
HYPOXANTHINEME6470071.00NA
HYDROXYISOVALERATE (*)ME6470061.00NA
HYDROXYACETAMINOPHEN SULFATE (*)ME6470031.00NA
HIPPURATEME6470021.00NA
HEXITOLME6470001.00NA
HEXANOATEME6469991.00NA
HEXADECANEDIOATE (*)ME6469981.00NA
HEPTANOIC ACIDME6469961.00NA
HEPTADECENOATE (*)ME6469951.00NA
GLYCOCHENODEOXYCHOLATE / GLYCODEOXYCHOLATE (*)ME6469871.00NA
GLYCEROL PHOSPHATEME6469861.00NA
GLYCERIC ACIDME6469851.00NA
GLUTATHIONE REDUCEDME6469841.00NA
GLUTATHIONE OXIDIZEDME6469831.00NA
GLUTAMINEME6469811.00NA
GLUCOSAMINATEME6469781.00NA
GERANYL PYROPHOSPHATEME6469771.00NA
ESTRADIOL-17BETAME6469741.00NA
EDTA (*)ME6469721.00NA
DODECENOATE (*)ME6469701.00NA
DIMETHYLURATE (*)ME6469641.00NA
DIHOMO-LINOLEATE (*)ME6469631.00NA
DIETHYL 2-METHYL-3-OXOSUCCINATEME6469611.00NA
DETHIOBIOTINME6469601.00NA
DEHYDROISOANDROSTERONE 3-SULFATEME6469561.00NA
DECANOATEME6469551.00NA
CYSTATHIONINEME6469521.00NA
CYS-GLYME6469511.00NA
CREATINEME6469501.00NA
CORTISOL 21-ACETATEME6469491.00NA
CORTICOSTERONEME6469481.00NA
CITRULLINEME6469471.00NA
CIS-11-EICOSENOIC ACIDME6469441.00NA
CINNAMOYLGLYCINE (*)ME6469431.00NA
CHOLESTEROL SULFATEME6469411.00NA
CHOLESTEROL (*)ME6469401.00NA
CHENODEOXYCHOLATEME6469381.00NA
CARNOSINEME6469371.00NA
CAPECITABINEME6469351.00NA
BOC-MET-OHME6469321.00NA
BOC-LYS-OHME6469311.00NA
BOC-GLY-OHME6469301.00NA
BILIVERDINME6469241.00NA
ASPARAGINEME6469191.00NA
ARACHIDONOYLGLYCEROPHOSPHOINOSITOL (*)ME6469171.00NA
ANTHRANILATEME6469131.00NA
ANANDAMIDEME6469111.00NA
AMINOHYDROXYBUTANOIC ACIDME6469091.00NA
AMINOHEXANOIC ACIDME6469081.00NA
AMINOBUTANOIC ACIDME6469071.00NA
ADENOSINEME6469011.00NA
ACENAPHTHENEQUINONEME6468991.00NA
7-ALPHA-HYDROXY-3-OXO-4-CHOLESTENOATE (*)ME6468981.00NA
5`-METHYLTHIOADENOSINEME6468931.00NA
5-AMINOLEVULINIC ACIDME6468951.00NA
5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-D-RIBOFURANOSYL 5`-MONOPHOSPHATEME6468941.00NA
4-PYRIDOXATEME6468911.00NA
4-NITROPHENOLME6468891.00NA
4-METHYL-2-OXO-PENTANOIC ACIDME6468881.00NA
4-HYDROXYBENZALDEHYDEME6468871.00NA
4-HYDROXY-3-METHOXYPHENYLGLYCOLME6468861.00NA
4-HYDROXY-3-METHOXYMANDELIC ACIDME6468851.00NA
4-ANDROSTEN-3BETA,17BETA-DIOL DISULFATE (*)ME6468831.00NA
3-METHYL-2-OXOVALERIC ACIDME6468811.00NA
3-METHYL-2-OXINDOLEME6468801.00NA
3-HYDROXYANTHRANILATEME6468771.00NA
3-HYDROXY-3-METHYLGLUTARATEME6468761.00NA
3-DEHYDROSHIKIMATEME6468751.00NA
3BETA-HYDROXYANDROST-5-EN-17-ONE 3-SULFATEME6468731.00NA
3,5-DIBROMO-4-HYDROXYBENZONITRILEME6468721.00NA
3-(4-HYDROXYPHENYL)LACTATEME6468691.00NA
3,4-DIHYDROXYPHENYL GLYCOLME6468711.00NA
3,4-DIHYDROXYBENZOATEME6468701.00NA
2-HYDROXYPHENYLACETIC ACIDME6468651.00NA
2`,4`-DIHYDROXYACETOPHENONEME6468631.00NA
2`-DEOXYADENOSINEME6468641.00NA
URIDINEME6471071.050.15
ACONITATE (*)ME6469001.040.25
GLUTAMIC ACIDME6469801.080.23
PALMITOLEIC ACIDME6470581.090.23
TRYPTOPHAN (*)ME6471041.080.20
INDICANME6470081.060.19
GLYCOCHOLATEME6469881.050.19
ALPHA-KETO-GLUTARATEME6469051.050.20
(S)-LACTATEME6468561.050.20
XANTHINEME6471101.060.03
3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPANOATEME6468741.060.08
N-ACETYL-D-TRYPTOPHANME6470311.060.08
PYRUVATEME6470771.120.07
GLUCURONOLACTONEME6469791.100.08
THREONATE (*)ME6471001.100.06
STEAROYLGLYCEROPHOSPHOETHANOLAMINE (*)ME6470911.120.18
AMINOPENTANOIC ACIDME6469101.150.12
GLYCODEOXYCHOLATE / GLYCOCHENODEOXYCHOLATE (*)ME6469891.090.12
METHIONINE SULFOXIMINEME6470261.110.13
GLUTARATEME6469821.030.51
PHENYLALANINEME6470661.050.51
DIHEXOSEME6469621.030.47
INOSINEME6470111.060.47
LINOLEATEME6470191.050.49
GLYOXYLATEME6469911.090.44
GUANOSINEME6469921.080.41
4-HYDROXY-2-QUINOLINECARBOXYLIC ACIDME6468841.060.44
DODECANEDIOATE (*)ME6469691.060.42
2-OXOADIPATEME6468671.090.48
EDTAME6469711.130.47
ANDROSTERONE SULFATE (*)ME6469121.160.28
ARACHIDONOYLGLYCEROPHOSPHOETHANOLAMINE (*)ME6469161.130.33
ASPARTATEME6469201.090.37
N-ACETYL-DL-GLUTAMIC ACIDME6470301.100.38
CITRATEME6469461.070.37
FUMARIC ACIDME6469761.050.35
GULONO-1,4-LACTONEME6469931.060.35
ARACHIDONATEME6469151.080.29
LINOLEOYLGLYCEROPHOSPHOETHANOLAMINE (*)ME6470201.060.30
OCTADECANEDIOATE (*)ME6470441.050.28
MALATEME6470221.100.31
SUCCINATEME6470931.080.32
3-(2-HYDROXYPHENYL)PROPANOATEME6468681.070.33
TAUROCHENODEOXYCHOLATE (*)ME6470961.070.33
BOC-A-(1-NAPHTHYLMETHYL)-DL-PRO-OHME6469261.260.21
ADIPIC ACIDME6469021.300.40
TAURINEME6470951.300.41

Factors:

F1Condition:Acute lung injury
F2Condition:Healthy
Data matrix
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