Clustering data with hclust algorithm for (Study ST001304)

HILIC NEGATIVE ION MODE (Analysis AN002173)
MetaboliteStructureF1F2
AdrenochromeME3052401.00NA
L-CysteineME3050811.00NA
Potassium 2-(1^-ethoxy) ethoxypropanoateME3051930.481.52
[6]-ParadolME3049811.600.70
PS(37:1)ME3051031.120.88
FA (20:4)ME3050131.120.88
PG(40:8)ME3051141.120.88
PS(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))ME3051171.130.87
PG(42:8)ME3051251.130.87
PG(42:9)ME3051241.130.87
PS(39:5)ME3051061.100.90
PG(34:3)ME3050881.100.90
dCDPME3052281.100.90
ATPME3049031.100.90
4beta-(2-Aminoethylthio)catechinME3049791.100.90
Asn-Met-Thr-AspME3049871.100.90
Trihexosylceramide (d18:1/24:1(15Z))ME3051631.110.89
7,8-diketopelargonateME3052251.110.89
[SP (24:0)] N-(15Z-tetracosenoyl)-sphing-4-enineME3050971.110.89
α-D-xylosyl-(1->6)-β-D-glucosyl- (1->4)-β-D-glucosyl-(6->1)-α-D-xyloseME3050281.180.85
XanthineME3051511.140.86
PG(40:7)ME3051161.160.84
1-Deoxy-D-altro-heptulose 7-phosphateME3051991.150.85
Trihexosylceramide (d18:1/22:0)ME3051411.150.85
Precocene 2ME3049331.290.83
OrotateME3051501.200.74
PS(37:3)ME3050991.200.80
Hydantoin-5-propionateME3051831.220.78
PS(37:4)ME3050981.230.77
TauropineME3051460.991.01
(S)-MalateME3051350.991.01
PS(39:2)ME3051120.991.01
PS(36:3)ME3050930.991.01
PS(34:1)ME3050910.991.01
[PS(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosphoserineME3050430.991.01
PI(36:2)ME3051110.991.01
PI(30:0)ME3050760.991.01
phosphinomethylmalateME3051620.991.01
PA(32:1)ME3050620.991.01
N-Acetyl-D-glucosamine 1,6-bisphosphateME3052140.991.01
MagnoshininME3050410.991.01
Glycerone sulfateME3050800.991.01
Gln-Leu-Lys-TyrME3050480.991.01
[FA oxo(14:0)] 3-oxo-tetradecanoic acidME3049460.991.01
FA methyl (8:1)ME3052310.991.01
FA methyl(6:0)ME3051960.991.01
FA (8:1) octenalME3052070.991.01
FA (8:0) octanoic acidME3052120.991.01
[FA (25:0)] pentacosanoic acidME3050470.991.01
D-Erythrose 4-phosphateME3051390.991.01
Decanoic acidME3049120.991.01
Coniferyl aldehydeME3048950.991.01
AurinME3050020.991.01
alpha-IroneME3049440.991.01
Ala-Val-Asp-AspME3049660.991.01
3-OxopropanoateME3050770.991.01
7-methylthioheptyl glucosinolateME3049590.991.01
UDP-N-acetyl-D-glucosamineME3049830.981.02
SuccinateME3051340.981.02
PS(41:5)ME3051200.981.02
PS(41:4)ME3051220.981.02
PS(34:2)ME3050890.981.02
PI(30:1)ME3050730.981.02
(+/-)-Methyl 5-acetoxyhexanoateME3052330.981.02
hexane-6-ol-1,3,4,6-tetracarboxylateME3049010.981.02
Glepidotin BME3050110.981.02
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acidME3051380.981.02
[FA hydroxy(11:1)] undecenoic acidME3049170.981.02
[FA (6:0)] hexanalME3051710.981.02
[FA (22:2)] 13Z,16Z-docosadienoic acidME3050300.981.02
CitrateME3051850.981.02
CDP-ethanolamineME3049160.981.02
8-methylsulfinyloctyl glucosinolateME3049730.981.02
2-Methyl-4-propyl-1,3-oxathianeME3052130.981.02
7E,9E,11-Dodecatrienyl acetateME3049450.981.02
TrifluridineME3048960.971.03
sodium dodecyl sulfateME3049320.971.03
SinalbinME3049410.971.03
PIP(36:2)ME3051130.971.03
PC(31:2)ME3050750.971.03
N-Acetyl-L-aspartateME3051860.971.03
Glu-ThrME3052300.971.03
Gentisate aldehydeME3052010.971.03
[FA dimethyl(13:0)] 2,5-dimethyl-2E-tridecenoic acidME3049560.971.03
EPC(d36:1)ME3050720.971.03
CDPME3052290.971.03
6-Phospho-D-gluconateME3051760.971.03
2-OxoglutarateME3051550.971.03
3-beta-D-Glucopyranuronosyloxy-5-methylisoxazoleME3049000.971.03
IminoaspartateME3051320.911.04
[FA (16:4)] hexadecatetraenoic acidME3049620.961.09
3-Methoxy-4-hydroxyphenylacetaldehydeME3052190.941.07
7-Hydroxy-R-acenocoumarolME3050040.941.07
Gly-SerME3051430.931.07
N-(Tetradecanoyl)-sphing-4-enineME3050570.931.07
FA hydroxy(12:0) dodecanoic acidME3049300.951.06
(S)-2-Aceto-2-hydroxybutanoateME3051650.941.06
N-Undecylbenzenesulfonic acidME3049850.941.06
[FA (23:0)] tricosanoic acidME3050390.941.06
Ethyl (R)-3-hydroxybutanoateME3051730.941.06
D-isoglutamineME3051680.941.06
Asn-Asp-Gln-SerME3049670.941.06
2-oxobut-3-enanoateME3051300.941.06
3-DehydroquinateME3051870.941.06
Sucrose monopalmitateME3050500.961.04
(R)-LactateME3050790.961.04
(R)-2-HydroxyglutarateME3051600.961.04
PS(43:4)ME3051280.961.04
OrotidineME3048980.961.04
N-AcetylglutamineME3051890.961.04
Ile-Phe-Pro-ProME3050460.961.04
H2S2O3ME3052410.961.04
ethyl-(2R)-methyl-(3S)-hydroxybutanoateME3051970.961.04
Ethyl 2-methylbut-2-enoateME3051910.961.04
D-Fructose 1,6-bisphosphateME3051790.961.04
5^-Phosphoribosyl-N-formylglycinamideME3052100.961.04
AscorbateME3051840.961.04
DichloroacetateME3050520.961.05
UDP-glucoseME3049540.951.05
Quinoline yellowME3049900.951.05
PS(36:2)ME3050950.951.05
Perfluorooctanoic acidME3052170.951.05
PentanoateME3051440.951.05
OrthophosphateME3052420.951.05
N,N^-DimethylureaME3050860.951.05
2-Dodecylbenzenesulfonic acidME3049920.951.05
Asp-Leu-Phe-AspME3050360.951.05
PS(32:1)ME3050711.010.99
PI(34:2)ME3051001.010.99
PI(34:1)ME3051021.010.99
PI(28:0)ME3050691.010.99
PhenylpropanoateME3052181.010.99
PA(36:2)ME3050741.010.99
PA(30:0)ME3050581.010.99
N6-Galacturonyl-L-lysineME3049261.010.99
MesaconateME3051541.010.99
L-DehydroascorbateME3051811.010.99
IndicaxanthinME3049401.010.99
Ile-Ala-SerME3049281.010.99
HydroxypyruvateME3050781.010.99
Guanosine 3^-diphosphate 5^-triphosphateME3049071.010.99
FA oxo(8:0) oxo-octanoic acidME3052091.010.99
FA oxo(7:0)ME3051921.010.99
FA oxo(16:0)ME3049721.010.99
FA methyl(8:0)ME3052341.010.99
FA methyl(12:0) dodecanoic acidME3049381.010.99
FA dimethyl(20:3)ME3050291.010.99
[FA (22:1)] 13Z-docosenoic acidME3050321.010.99
[FA (18:1)] 9Z-octadecenoic acidME3049981.010.99
D-Sedoheptulose 7-phosphateME3051981.010.99
D-Gluconic acidME3051751.010.99
D-1-[(3-Carboxypropyl)amino]-1-deoxyfructoseME3049111.010.99
Cys-Cys-Gln-ProME3049681.010.99
Bakkenolide AME3049521.010.99
alpha-D-Glucosamine 1-phosphateME3051781.010.99
Ala-SerME3051691.010.99
9-Oxononanoic acidME3052321.010.99
4-HeptyloxyphenolME3049341.010.99
2-isocapryloyl-3R-hydroxymethyl-γ-butyrolactoneME3049371.010.99
3,6,8-TrimethylallantoinME3051901.010.99
Zopiclone N-oxideME3049781.001.00
TaurineME3050561.001.00
Sodium Tetradecyl SulfateME3049481.001.00
(S)-3-Methyl-2-oxopentanoic acidME3051641.001.00
Pyridoxine phosphateME3052051.001.00
PI(32:1)ME3050921.001.00
OxalateME3050531.001.00
octulose 8-phosphateME3052161.001.00
NarceineME3050341.001.00
L-CysteateME3050821.001.00
L-AspartateME3051361.001.00
FumarateME3051311.001.00
FA oxo(12:1)ME3049231.001.00
FA methyl(18:0)ME3050071.001.00
FA methyl(14:0)ME3049611.001.00
FA hydroxy(19:0)] nonadecanoic acidME3050081.001.00
FA hydroxy(16:0)] hexadecanoic acidME3049771.001.00
[FA (11:0)] undecanoic acidME3049181.001.00
5-L-Glutamyl-taurineME3051951.001.00
CoAME3050191.001.00
Inumakilactone A glycosideME3050401.040.97
TributyrinME3049551.040.96
ThymineME3051521.040.96
StachyoseME3050421.040.96
sn-Glycerol 3-phosphateME3050871.040.96
(R)-2-EthylmalateME3051661.040.96
PI(40:5)ME3051271.040.96
PhytuberinME3049821.040.96
PA(34:2)ME3050681.040.96
LinoleateME3049951.040.96
Glu-Ser-SerME3049151.040.96
[FA] Methyl jasmonateME3049351.040.96
FA methyl(16:1)ME3049881.040.96
FA hydroxy(18:0)ME3050011.040.96
FA(24:0)ME3050451.040.96
D-RiboseME3051451.040.96
Dodecanoic acidME3049291.040.96
DocosahexaenoicacidME3050251.040.96
Diethyl 2-methyl-3-oxosuccinateME3052261.040.96
D-FructoseME3051741.040.96
CL(18:1(11Z)/18:1(11Z)/18:1(11Z)/18:2(9Z,12Z))ME3052031.040.96
Ala-Glu-Asp-GluME3049801.040.96
1-O-Octadec-9-enyl glycerolME3050221.040.96
AcotiamideME3050181.040.96
UDPME3052221.020.98
Tetradecanoic acidME3049471.020.98
SulfoacetateME3050551.020.98
S-Sulfo-L-cysteineME3050831.020.98
sn-glycero-3-Phospho-1-inositolME3052371.020.98
PS(39:3)ME3051101.020.98
PE(30:0)ME3050631.020.98
Octadecanoic acidME3050001.020.98
nonulose 9-phosphateME3052381.020.98
Methylimidazole acetaldehydeME3051821.020.98
Icosadienoic acidME3050141.020.98
FurosemideME3049201.020.98
[FA oxo(8:1)] 5-oxo-7-octenoic acidME3052061.020.98
FA hydroxy(9:0) hydroxy-nonanoic acidME3052351.020.98
FA (22:0)ME3050161.020.98
FA (19:1)ME3050061.020.98
FA (17:0)ME3049891.020.98
FA(16:1)ME3049711.020.98
FA (12:1) dodecenoic acidME3049271.020.98
D-Ribose 5-phosphateME3051471.020.98
Docosanoic acidME3050331.020.98
Diethyl adipateME3049101.020.98
Cys-Met-Gln-ProME3049931.020.98
Arg-Lys-Pro-HisME3050381.020.98
2-(alpha-Hydroxyethyl)thiamine diphosphateME3049431.020.98
5-ValerolactoneME3051571.020.98
ChelirubineME3050171.020.97
TetrangomycinME3050031.030.97
PS(43:6)ME3051261.030.97
Propanoyl phosphateME3050841.030.97
PhenylpyruvateME3052391.030.97
PA(34:1)ME3050701.030.97
N-Acetyl-D-glucosamine 6-phosphateME3052111.030.97
L-ErythruloseME3051371.030.97
Hexanoic acidME3051721.030.97
FA oxo(18:0)ME3049991.030.97
[FA (24:0)] 15Z-tetracosenoic acidME3050441.030.97
[FA (22:4)] 7Z,10Z,13Z,16Z-docosatetraenoic acidME3050271.030.97
[FA (18:3)] 9Z,12Z,15Z-octadecatrienoic acidME3049911.030.97
[FA (18:1)] 9R,10S-epoxy-12Z-octadecenoic acidME3049961.030.97
FA(16:0)ME3049761.030.97
ethylpyruvateME3051581.030.97
EPC(d32:1)ME3050611.030.97
dTDPME3049021.030.97
DigitalinME3050641.030.97
D-Glucose 6-phosphateME3051771.030.97
CL(20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))ME3052041.030.97
Asn-Met-Cys-ProME3049861.030.97
Acetyl-CoAME3050371.030.97
7-methylsulfinylheptyl glucosinolateME3049581.030.97
10-hydroxygeraniolME3049081.030.97
3,7-Dimethyl-2E,6E-decadien-1,10-dioic acidME3049221.030.97
ThienodihydropyridiniumME3049391.050.95
PS(39:4)ME3051081.050.95
PG(34:2)ME3050901.050.95
PE(P-38:3)ME3051011.050.95
GDP-L-fucoseME3049641.050.95
FA (8:1)ME3052081.050.95
[FA (22:5)] 7Z,10Z,13Z,16Z,19Z-docosapentaenoic acidME3050261.050.95
FA (12:1) Decenedioic acidME3049041.050.95
Ala-Leu-Thr-AlaME3049691.050.95
DihydrogenphosphateME3048941.050.95
UDP-glucuronateME3049511.060.94
PS(40:7)ME3051151.060.94
PI(38:6)ME3051181.060.94
PI(36:4)ME3051071.060.94
PI(36:3)ME3051091.060.94
MaltotrioseME3049941.060.94
Cyclic ADP-riboseME3049501.060.94
Cer(d36:2)ME3050651.060.94
AcetoacetateME3051331.060.94
5-Hexyltetrahydro-2-oxo-3-furancarboxylic acidME3049141.060.94
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonateME3051941.060.94
3-Phospho-D-glycerateME3050851.060.94
dTTPME3049051.050.93
PsoralidinME3050091.050.94
8-methylthiooctyl glucosinolateME3049741.090.92
Trihexosylceramide (d18:1/16:0)ME3051401.090.91
PG(36:3)ME3050941.090.91
PG(36:2)ME3050961.090.91
PentadecanalME3049601.090.91
HexadecanalME3049751.090.91
DG(41:7)ME3051041.090.91
Elenaic acidME3049131.090.91
PI(38:5)ME3051191.070.93
PI(38:4)ME3051211.070.93
PI(38:3)ME3051231.070.93
IMPME3048991.070.93
[FA (18:2)] 3Z,13Z-octadecadien-1-olME3049971.070.93
GalactinoldihydrateME3049311.070.93
UTPME3052271.080.92
[PR] Abietic acidME3050121.080.92
Polyethylene, oxidizedME3049241.080.92
N-acetyl -D- glucosaminitolME3052151.080.92
Ethyl isopropyl disulfideME3051491.080.92
CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z))ME3052021.080.92
2-Hydroxy-2,4-pentadienoateME3051531.080.92
4-nitro-5-aminoimidazole ribonucleotideME3051881.080.92
2^-HydroxydihydrodaidzeinME3049491.080.93
Cys-Lys-Cys-CysME3049571.080.93
BergaptolME3049190.791.21
3-(4-Hydroxyphenyl)lactateME3052200.811.19
(Acetyloxy)triphenylstannaneME3050100.821.18
UracilME3051290.921.08
Serinyl-SerineME3051700.921.08
(S)-2-AcetolactateME3051590.921.08
(R)-S-LactoylglutathioneME3049360.921.08
PS(38:2)ME3051050.921.08
PG(30:0)ME3050670.921.08
[FA (20:1)] 11Z-eicosenoic acidME3050150.921.08
dCMPME3052240.921.08
5-6-DihydrouridineME3052230.921.08
Ala-Met-Met-SerME3049700.921.08
ADP-riboseME3049530.911.08
HomophytanicacidME3050210.911.09
Asp-Val-Pro-SerME3049840.911.09
10-OxodecanoateME3049090.911.09
2-Dehydro-3-deoxy-D-galactonateME3051670.911.09
Cer(d36:1)ME3050660.891.11
[PG (28:0)]ME3050600.891.11
(R)-piperazine-2-carboxylateME3051420.901.10
FA (26:1)ME3050490.901.10
FA (28:1)ME3050510.901.10
Musabalbisiane BME3050350.811.13
Ile-Met-Met-ProME3050200.871.13
UMPME3052210.881.12
N-NitrosoprolineME3051560.851.15
N-PalmitoylsphingosineME3050590.861.14
Ala-Glu-Glu-SerME3049650.861.14
D-Ribose 1,5-bisphosphateME3051480.861.14

Factors:

F1treatment:No shield
F2treatment:plus shield
Data matrix
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