Explorer

PCA
PLS-DA
Analyte VIP score
Xanthosine 5'-monophosphate 3.47
PC 24:0 3.27
TG 58:10 (2); TG 16:0_20:4_22:6 3.24
PMeOH 34:2; PMeOH 16:0_18:2 3.22
FA 28:6;O 3.16
FA 20:4;O2 3.13
TG 60:10; TG 18:1_20:4_22:5 3.12
SM 36:0;O2 3.06
PG O-34:2; PG O-18:2_16:0 3.03
Biopterin 3.02
CAR 14:0;O 2.99
Adenosine 5'-diphosphoribose 2.98
Ile-Phe 2.95
Val-Tyr 2.94
CAR 18:3 2.9
CAR 12:0;O 2.89
LPG 18:0 2.85
DG 26:2; DG 8:0_18:2 2.84
DLCL 36:4; DLCL 18:2_18:2 2.83
His-Trp 2.83
TG 38:4; TG 8:0_10:0_20:4 2.8
TG 58:11; TG 18:2_20:4_20:5 2.79
Ophthalmic acid 2.74
Riboflavin 2.73
Arg-Phe 2.73
TG 60:11; TG 18:2_20:4_22:5 2.72
TG 60:12; TG 18:2_20:4_22:6 2.7
PC O-30:1 2.68
Cer 36:0;O3; Cer 18:0;O3/18:0 2.67
CAR 20:3 2.64
Trisaccharide 2.61
Cer 46:1;O2; Cer 20:1;O2/26:0 2.6
PC 41:1 2.59
CE 18:2 2.57
2'-Deoxyadenosine 2.57
Ile-Pro-Ile 2.57
CAR 14:1 2.56
LPC 20:5/0:0 (1) 2.26
LPE 20:4 2.23
LPC 20:4/0:0 (1) 2.23
LPE 18:2 2.17
LPE 22:6 2.16
LPC 18:2/0:0 2.05
LPC 20:5/0:0 (2) 2.05
3'-Dephosphocoenzyme A 1.95
LPE 22:5 1.94
FA 20:2;O 1.91
LPC 18:3/0:0 1.86
FA 22:6;O 1.82
Uridine diphosphate glucuronic acid 1.8
Glutathione (reduced) 1.77
LPE 22:4 1.76
LPC 22:5/0:0 1.76
Cysteine-S-sulfate 1.7
LPC 22:6/0:0 1.7
PG 35:2; PG 17:0_18:2 1.69
FA 20:4;O 1.64
2'-Deoxyuridine 5'-monophosphate 1.63
Pipecolic acid 1.59
SM 34:0;O2 1.58
N-Acetylphenylalanine 1.57
Glycero-3-phosphocholine 1.55
Histamine 1.55
gamma-Glu-Cys 1.55
FA 22:5;O 1.54
Hippuric acid 1.52
LPC 16:1/0:0 1.52
N-Acetylarginine 1.51
N-Acetylleucine 1.51
DG 28:3; DG 10:0_18:3 1.49
PC O-38:7 1.48
CAR 12:0 1.48
SM 28:1;O2 1.46
N-Acetylthreonine 1.45
LPI 20:4 1.44
FA 21:3 1.42
LPC 22:4/0:0 1.41
N-Acetylhistidine 1.4
PC 37:4; PC 17:0_20:4 1.4
PC 33:0; PC 16:0_17:0 1.4
Pro-hydroxy-Pro 1.39
Allothreonine 1.35
FA 21:4 1.35
PC 30:3 1.34
Cytidine 5'-diphosphocholine 1.34
DG 34:3; DG 16:1_18:2 1.32
PC 36:6; PC 14:0_22:6 1.31
N,N-Dimethylarginine 1.3
PC 28:0; PC 14:0_14:0 1.3
Cer 32:1;O2; Cer 18:1;O2/14:0 1.3
PC 35:2; PC 17:0_18:2 1.3
PC 31:0; PC 15:0_16:0 1.3
Uridine diphosphate glucose 1.3
SM 32:1;O2; SM 16:1;O2/16:0 1.29
LPC 17:0/0:0 1.29
DG 36:5; DG 18:2_18:3 1.28
CL 70:7; CL 16:1_18:2_18:2_18:2 1.28
Cer 42:2;O3; Cer 18:0;O3/24:2 1.28
LPG 18:2 1.27
DG 36:4 (1); DG 18:2_18:2 1.27
PC 35:1; PC 17:0_18:1 1.26
PC O-38:8 1.26
N-Acetylcarnosine 1.25
FA 26:2 1.24
Cytidine 5'-diphosphate ethanolamine 1.24
Threonine 1.23
Glu-Phe 1.22
PC 39:4; PC 19:0_20:4 1.22
N-Acetylglutamic acid 1.22
PE 36:6; PE 14:0_22:6 1.22
PC 33:1; PC 15:0_18:1 1.22
PC 35:4; PC 15:0_20:4 1.22
CL 75:8; CL 18:1_18:2_18:2_21:3 1.22
DG 40:8; DG 18:2_22:6 1.21
DG 28:1; DG 10:0_18:1 1.2
TG 56:9; TG 18:2_18:3_20:4 1.19
Ectoine 1.19
Citrulline 1.19
Guanine 1.19
CL 72:8; CL 18:2_18:2_18:2_18:2 1.18
Thymidine 1.18
Cysteine-glutathione disulfide 1.18
Guanosine 1.18
FA 24:3 1.17
Ala-Leu 1.16
Thymine 1.16
Orotic acid 1.16
PS 36:2; PS 18:0_18:2 1.16
PC 33:2; PC 15:0_18:2 1.15
DG 30:3; DG 12:0_18:3 1.15
FA 26:5 1.15
PC 36:4 (1); PC 18:2_18:2 1.15
N-Acetylputrescine 1.15
PG 36:2; PG 18:1_18:1 1.14
DG 28:2; DG 10:0_18:2 1.14
beta-Nicotinamide adenine dinucleotide 1.13
PC O-41:11 1.13
PC 32:0; PC 16:0_16:0 1.12
PE O-35:5; PE O-15:1_20:4 1.12
Cer 42:1;O3; Cer 18:0;O3/24:1 1.11
FA 24:2 1.11
LPC 15:0/0:0 1.1
N-Acetylcitrulline 1.1
LPC 19:0/0:0 1.1
PC O-30:0 1.1
Adenosine 1.09
HexCer 41:1;O2 1.09
PC O-37:9 1.08
PC 38:4; PC 18:0_20:4 1.08
PE O-38:7 (1); PE O-18:3_20:4 1.08
FA 17:1 1.08
PE 37:2; PE 19:0_18:2 1.07
DG 38:6; DG 16:0_22:6 1.07
PG 36:1; PG 18:0_18:1 1.07
Hypotaurine 1.06
PG 36:4 (1); PG 18:2_18:2 1.06
PI 36:2; PI 18:0_18:2 1.06
PG 38:6 (1); PG 18:2_20:4 1.05
LPI 16:0 1.05
FA 18:4 1.05
N-Acetylornithine 1.05
PG 30:0; PG 14:0_16:0 1.04
PC 36:2; PC 18:1_18:1 1.04
PE O-40:8; PE O-18:2_22:6 1.04
TG 58:8; TG 18:1_18:2_22:5 1.04
FA 18:1;O 1.04
FA 17:2 1.03
DG 36:3; DG 18:1_18:2 1.03
FA 20:5 (1) 1.03
TG 56:8 (1); TG 18:2_18:2_20:4 1.02
Pseudouridine 1.02
LPC 16:0/0:0 1.02
PC 34:0; PC 16:0_18:0 1.02
LPC 20:4/0:0 (2) 1.02
FA 21:1 1.02
DG 40:7; DG 18:2_22:5 1.02
PG 34:1; PG 16:0_18:1 1.02
CAR 14:0 1.02
4-Acetamidobutanoic acid 1.01
N-Acetylgalactosamine 4-sulfate 1.01
Adenylosuccinic acid 1.01
LPE O-18:2 1.01
Acetylcholine 1.01
5-Aminovaleric acid betaine 1.0
PC 36:4 (2); PC 16:0_20:4 1.0
FA 20:4 1.0
FA 26:1 1.0
DG 30:1; DG 12:0_18:1 1.0
NAOrn 17:0;O 1.0
Cer 43:1;O2; Cer 18:1;O2/25:0 0.99
PE 34:4; PE 14:0_20:4 0.99
PC O-39:10 0.99
Cer 42:3;O2; Cer 18:2;O2/24:1 0.99
FA 19:1 0.99
Ile-Tyr 0.99
5-Methyl-2'-deoxycytidine 0.99
LPE 17:0 0.98
DG 34:1; DG 16:0_18:1 0.98
FA 19:0 0.98
TG 56:8 (2); TG 16:0_18:2_22:6 0.98
Cer 44:2;O2; Cer 18:1;O2/26:1 0.97
FA 17:0 0.97
Cer 41:2;O2; Cer 18:2;O2/23:0 0.97
Glycocholic acid 0.97
FA 22:5 (1) 0.97
TG 53:6; TG 15:0_18:2_20:4 0.97
Arg-Pro 0.96
CAR 5:0 0.96
Spermidine 0.95
LPE O-17:1 0.95
HexCer 42:1;O2 0.95
PC 37:2; PC 19:0_18:2 0.95
FA 16:1 0.95
GM3 34:1;O2 0.95
PC 34:1; PC 16:0_18:1 0.94
PE 39:4; PE 19:0_20:4 0.94
Cer 44:1;O2; Cer 20:1;O2/24:0 0.94
PC 37:8 0.94
LPC 18:0/0:0 0.94
Glucose 0.94
3-Hydroxybutyric acid 0.94
DG 36:2; DG 18:0_18:2 0.93
Vanillin-4-sulfate 0.93
SM 41:2;O2; SM 18:2;O2/23:0 0.93
PEtOH 36:2; PEtOH 18:0_18:2 0.93
N-Acetylhistamine 0.93
FA 18:1 0.92
PI 38:6 (1); PI 18:2_20:4 0.92
PG 42:10; PG 20:4_22:6 0.92
TG 54:6 (1); TG 18:2_18:2_18:2 0.92
PE 36:2; PE 18:1_18:1 0.92
PI 30:0; PI 14:0_16:0 0.92
FA 18:2 0.92
Leu-Thr 0.92
PC 31:1 0.91
FA 19:2 0.91
DG 32:0; DG 16:0_16:0 0.91
TG 54:6 (2); TG 16:0_18:2_20:4 0.91
SM 43:1;O2 0.91
SM 42:2;O2; SM 18:1;O2/24:1 0.91
FA 24:1 0.9
PE O-35:2; PE O-17:1_18:1 0.9
PS 34:2; PS 16:0_18:2 0.9
LPE 19:0 0.9
alpha-Aminoadipic acid 0.89
FA 16:0 0.89
N-Acetylglucosamine 6-phosphate 0.89
LPI 18:0 0.89
LPC 24:2/0:0 0.89
DG 40:6; DG 18:2_22:4 0.89
Guanosine 5'-monophosphate 0.89
PG 34:2 (2); PG 16:0_18:2 0.88
FA 22:2 0.88
TG 54:7; TG 16:0_18:2_20:5 0.88
Adenosine 3'-monophosphate 0.88
HexCer 40:1;O2 0.88
DG 36:1; DG 18:0_18:1 0.88
Cer 42:2;O2; Cer 18:2;O2/24:0 0.87
PC 38:5; PC 18:1_20:4 0.87
Thr-Leu 0.87
PG 38:4; PG 18:0_20:4 0.87
FA 22:4 0.86
PI 38:4; PI 18:0_20:4 0.86
Carnosine 0.86
S-Adenosylhomocysteine 0.86
PC O-37:10 0.86
LPC 20:3/0:0 0.85
FA 24:4 0.85
PC 34:2; PC 16:0_18:2 0.85
FA 18:3 0.85
LPC 18:1/0:0 0.84
FA 18:0 0.84
Glucose 1-phosphate 0.84
Cer 41:1;O2; Cer 18:1;O2/23:0 0.83
Indolelactic acid 0.83
N-Acetylvaline 0.83
TG 58:10 (1); TG 18:2_20:4_20:4 0.83
Uridine 5'-diphosphoacetylglucosamine 0.83
Cer 43:0;O3; Cer 18:0;O3/25:0 0.83
TG 45:3; TG 10:0_17:1_18:2 0.83
PC O-35:8 (2) 0.83
PC 30:1; PC 14:0_16:1 0.82
LPC 14:0/0:0 0.82
PE O-38:7 (2); PE O-16:1_22:6 0.82
Urocanic acid 0.82
TG 54:5; TG 16:0_18:1_20:4 0.82
LPE 20:2 0.82
TG 38:3; TG 8:0_12:0_18:3 0.81
DG 32:1; DG 14:0_18:1 0.81
SM 42:3;O2; SM 29:2;O2/13:1 0.81
Stachydrine (proline betaine) 0.81
FA 23:1 0.81
Phenylalanine 0.8
PC O-35:8 (1) 0.8
NAGly 31:1;O2; NAGly 16:0;O(FA 15:0) 0.8
PC 32:4; PC 12:0_20:4 0.8
FA 20:2 0.8
FA 22:5 (2) 0.8
Anserine 0.79
FA 28:1 0.79
PE O-37:5; PE O-17:1_20:4 0.79
CAR 8:0 0.79
TG 52:4 (1); TG 16:1_18:1_18:2 0.79
FA 24:5 0.79
DG 38:5; DG 16:0_22:5 0.79
PE 40:8; PE 18:2_22:6 0.79
PE O-34:2; PE O-16:1_18:1 0.79
PI 36:1; PI 18:0_18:1 0.79
TG 51:4; TG 15:0_18:2_18:2 0.78
Trimethyllysine 0.78
PI 38:5; PI 18:1_20:4 0.78
Cysteic acid 0.78
PEtOH 34:2; PEtOH 16:0_18:2 0.78
Betaine 0.77
PE 38:4; PE 18:0_20:4 0.77
5'-S-Methyl-5'-thioadenosine 0.77
Inosine 5'-monophosphate 0.77
TG 36:1; TG 8:0_10:0_18:1 0.77
FA 26:6 0.76
FA 18:0;O 0.76
Cer 42:1;O2; Cer 18:1;O2/24:0 0.76
N-Acetylaspartylglutamic acid 0.76
Argininosuccinic acid 0.76
Glucuronic acid 0.76
TG 53:3; TG 17:0_18:1_18:2 0.75
4-Hydroxyisoleucine 0.75
Cer 42:0;O3; Cer 18:0;O3/24:0 0.75
FA 20:1 0.75
LPE 18:1 0.75
DG 32:2; DG 14:0_18:2 0.75
TG 44:3; TG 8:0_18:1_18:2 0.74
PG 40:8; PG 18:2_22:6 0.74
LPE 18:0 0.74
N-Acetylmethionine 0.74
LPC 20:2/0:0 0.74
FA 14:1 0.74
Uric acid 0.74
PC 34:4; PC 14:0_20:4 0.73
FA 16:2 0.73
FA 25:1 0.73
PE 39:6; PE 17:0_22:6 0.73
TG 44:4 (1); TG 8:0_18:2_18:2 0.73
SM 41:1;O2; SM 18:1;O2/23:0 0.73
CAR 8:0;O 0.73
TG 56:5; TG 16:0_18:1_22:4 0.72
TG 51:3; TG 15:0_18:1_18:2 0.72
PI 34:2; PI 16:0_18:2 0.72
Flavin adenine dinucleotide 0.72
TG 42:4; TG 10:0_12:0_20:4 0.71
PC 32:2; PC 16:1_16:1 0.71
CAR 10:0;O 0.71
PS 40:5; PS 18:0_22:5 0.71
Uridine 0.71
CAR 5:1 0.71
CAR 10:0 0.71
CE 22:6 0.71
Isocitric acid 0.71
PC O-38:4 (1) 0.71
Ornithine 0.71
4-Guanidinobutyric acid 0.71
PE 38:6 (1); PE 18:2_20:4 0.71
PI 36:4; PI 16:0_20:4 0.71
TG 52:3; TG 16:0_18:1_18:2 0.7
Glutamic acid 0.7
FA 15:0 0.7
FA 22:3 0.7
TG 36:2; TG 8:0_10:0_18:2 0.7
TG 46:5; TG 10:0_18:2_18:3 0.7
Ala-Val 0.7
Cer 44:0;O3; Cer 20:0;O3/24:0 0.7
FA 22:1 0.69
LPE O-16:1 0.69
PC 30:2; PC 12:0_18:2 0.69
TG 46:4 (1); TG 10:0_18:2_18:2 0.69
TG 52:6 (1); TG 16:1_18:2_18:3 0.68
Ergothioneine 0.68
TG 46:3; TG 10:0_18:1_18:2 0.68
PE 38:3; PE 18:0_20:3 0.68
PE 34:2; PE 16:0_18:2 0.68
PS 37:4; PS 17:0_20:4 0.68
PC 34:2;O; PC 16:0_18:2;O 0.68
Leu-Ile 0.68
Pyruvic acid 0.67
TG 52:4 (2); TG 16:0_16:0_20:4 0.67
PE 36:4; PE 16:0_20:4 0.67
TG 48:6 (1); TG 10:0_18:2_20:4 0.67
gamma-Glu-Glu 0.67
Nicotinic acid 0.67
TG 38:1; TG 10:0_12:0_16:1 0.66
TG 47:3; TG 12:0_17:1_18:2 0.66
DG 30:4; DG 10:0_20:4 0.66
Dimethylarginine 0.66
PI 38:3; PI 18:0_20:3 0.66
SM 42:1;O2; SM 18:1;O2/24:0 0.66
FA 22:6 0.66
TG 42:3; TG 10:0_14:0_18:3 0.65
FA 26:0 0.65
LPS 22:0 0.65
TG 52:8; TG 12:0_20:4_20:4 0.65
LPC 20:0/0:0 0.65
LPC 20:1/0:0 0.65
TG 53:2; TG 17:0_18:1_18:1 0.65
PE 40:6; PE 18:0_22:6 0.65
TG 52:2; TG 16:0_18:0_18:2 0.65
PS 40:6; PS 18:0_22:6 0.65
TG 54:3; TG 18:0_18:1_18:2 0.65
PC 38:6 (1); PC 18:2_20:4 0.64
TG 40:1; TG 10:0_12:0_18:1 0.64
Val-Val 0.64
PE O-36:5; PE O-16:1_20:4 0.64
PE 38:5; PE 18:1_20:4 0.64
N-Acetyl-S-benzylcysteine 0.64
TG 50:3; TG 14:0_18:1_18:2 0.64
PC 44:8 0.64
PC 36:1; PC 18:0_18:1 0.64
PI 32:0; PI 16:0_16:0 0.64
PE O-36:3; PE O-18:2_18:1 0.63
Inosine 0.63
PE 36:1; PE 18:0_18:1 0.63
PE 34:3; PE 16:1_18:2 0.63
TG 50:4 (1); TG 14:0_18:2_18:2 0.63
TG 44:2; TG 10:0_16:0_18:2 0.63
TG 47:4; TG 11:0_18:2_18:2 0.63
TG 48:4 (1); TG 12:0_18:2_18:2 0.62
PEtOH 34:1; PEtOH 16:0_18:1 0.62
Ile-Ser 0.62
TG 50:6 (1); TG 12:0_18:2_20:4 0.62
TG 48:6 (2); TG 10:0_16:0_22:6 0.62
TG 50:7; TG 10:0_18:2_22:5 0.62
TG 54:8; TG 14:0_18:2_22:6 0.62
TG 38:2; TG 10:0_10:0_18:2 0.62
DG 36:4 (2); DG 16:0_20:4 0.62
DG 30:0; DG 14:0_16:0 0.62
Val-Asn 0.62
Xanthosine 0.62
TG 48:3; TG 12:0_18:1_18:2 0.62
TG 44:4 (2); TG 12:0_14:0_18:4 0.62
PE O-38:2 (1); PE O-20:0_18:2 0.62
TG 41:2; TG 11:0_12:0_18:2 0.61
PG 38:6 (2); PG 16:0_22:6 0.61
PE O-39:5; PE O-17:1_22:4 0.61
TG 42:2; TG 10:0_14:0_18:2 0.61
Gln-Leu 0.61
TG 43:1; TG 10:0_15:0_18:1 0.61
TG 40:3; TG 10:0_12:0_18:3 0.61
TG 44:1; TG 12:0_14:0_18:1 0.6
Gluconic acid 0.6
TG 50:6 (2); TG 12:0_16:0_22:6 0.6
TG 42:1; TG 8:0_16:0_18:1 0.6
LPE 22:0 0.6
Cer 34:1;O3; Cer 18:1;O2/16:0;(OH)2 0.6
PC 30:0; PC 14:0_16:0 0.6
TG 46:2; TG 12:0_16:0_18:2 0.6
TG 40:2; TG 10:0_12:0_18:2 0.6
S-Succinylcysteine 0.6
TG 46:4 (2); TG 10:0_16:0_20:4 0.6
TG 52:6 (2); TG 14:0_16:0_22:6 0.6
FA 15:1 0.6
TG 40:0; TG 10:0_14:0_16:0 0.59
Pentose X-phosphate 0.59
Phenol sulfate 0.59
TG 54:2; TG 16:0_18:1_20:1 0.59
LPE 16:0 0.59
TG 45:2; TG 12:0_15:0_18:2 0.59
Cystine 0.59
N-epsilon-Methyllysine 0.59
PI 40:5; PI 18:0_22:5 0.59
Urea 0.59
CAR 16:1 (1) 0.59
TG 37:1; TG 9:0_10:0_18:1 0.59
1-Methyladenosine 0.58
SM 33:1;O2; SM 17:1;O2/16:0 0.58
TG 38:0; TG 10:0_12:0_16:0 0.58
TG 48:4 (2); TG 12:0_16:0_20:4 0.58
Fumaric acid 0.58
Trigonelline 0.58
TG 58:5; TG 18:0_18:1_22:4 0.58
TG 35:0; TG 10:0_12:0_13:0 0.58
N-gamma-Glu-Leu 0.58
TG 60:4; TG 18:1_24:1_18:2 0.58
TG 48:2; TG 14:0_16:0_18:2 0.58
TG 50:2; TG 16:0_16:0_18:2 0.58
TG 43:2; TG 10:0_15:0_18:2 0.57
TG 52:1; TG 16:0_18:0_18:1 0.57
TG 32:0; TG 8:0_10:0_14:0 0.57
Oxalic acid 0.57
PG 36:3; PG 18:1_18:2 0.57
TG 30:0; TG 8:0_10:0_12:0 0.57
PC 37:6; PC 15:0_22:6 0.57
TG 36:0; TG 10:0_12:0_14:0 0.57
Serotonin 0.57
CAR 4:1;O2 0.57
TG 46:1; TG 12:0_16:0_18:1 0.57
TG 34:0; TG 10:0_12:0_12:0 0.57
TG 42:0; TG 12:0_14:0_16:0 0.57
TG 50:8; TG 10:0_18:2_22:6 0.56
gamma-Glu-Tyr 0.56
DG 34:4; DG 14:0_20:4 0.56
Gly-Leu 0.56
TG 41:1; TG 11:0_12:0_18:1 0.56
TG 51:2; TG 16:0_17:1_18:1 0.56
PE 34:1; PE 16:0_18:1 0.56
TG 37:0; TG 10:0_12:0_15:0 0.56
TG 55:2; TG 18:0_18:1_19:1 0.56
Cer 40:2;O2; Cer 18:2;O2/22:0 0.55
N6-Succinyladenosine 0.55
Kynurenine 0.55
CL 76:12; CL 18:2_18:2_18:2_22:6 0.55
TG 50:1; TG 16:0_16:0_18:1 0.55
CAR 6:0 0.55
TG 41:0; TG 10:0_15:0_16:0 0.54
CAR 22:0 0.54
2-Hydroxybutyric acid 0.54
PC 44:5 0.54
NAOrn 19:0;O 0.54
CoQ9 0.54
LPS 17:0 0.54
TG 50:4 (2); TG 14:0_16:0_20:4 0.54
SM 40:2;O2; SM 18:2;O2/22:0 0.54
TG 56:3; TG 20:0_18:1_18:2 0.54
TG 44:0; TG 10:0_16:0_18:0 0.53
TG 43:0; TG 10:0_16:0_17:0 0.53
TG 47:2; TG 14:0_15:0_18:2 0.53
N,N-Dimethylvaline 0.53
PE 40:5; PE 18:0_22:5 0.53
Tryptophan 0.53
Val-Ile 0.53
PI 40:7; PI 18:1_22:6 0.53
TG 48:1; TG 14:0_16:0_18:1 0.53
CAR 18:2 0.53
PE O-34:3; PE O-16:1_18:2 0.53
TG 45:1; TG 14:0_15:0_16:1 0.53
Cytidine 0.52
LPC 22:0/0:0 0.52
alpha-Ketoglutaric acid 0.52
FA 34:1 0.52
Ala-Ile 0.52
HexCer 34:1;O2; HexCer 18:1;O2/16:0 0.51
Methionine sulfoxide 0.51
Xanthine 0.5
4-Pyridoxic acid 0.5
TG 39:0; TG 12:0_13:0_14:0 0.5
FA 24:6 0.5
PG 32:0; PG 16:0_16:0 0.5
FA 27:0 0.5
CAR 18:1 0.49
Deoxycytidine 0.49
CL 74:10; CL 18:2_18:2_18:2_20:4 0.49
PE O-36:6; PE O-16:1_20:5 0.49
1-Methyluric acid 0.49
TG 60:6; TG 18:1_20:1_22:4 0.49
LPC 22:1/0:0 0.49
PE 38:2; PE 18:0_20:2 0.48
3-Indoxyl sulfate 0.48
PG 36:4 (2); PG 16:0_20:4 0.48
Cer 33:1;O2; Cer 17:1;O2/16:0 0.48
Cer 40:0;O3; Cer 18:0;O3/22:0 0.48
alpha-Hydroxyglutaric acid 0.48
Cer 30:1;O2; Cer 18:1;O2/12:0 0.48
LPC 24:0/0:0 0.48
PS 36:1; PS 18:0_18:1 0.48
PC 42:4 (2) 0.47
SM 39:1;O2 0.47
TG 47:1; TG 15:0_16:0_16:1 0.47
SM 38:2;O2; SM 21:0;O2/17:2 0.47
Proline 0.47
N-Acetylglucosaminylasparagine 0.47
Arginine 0.47
Aconitic acid, trans- 0.46
Phenylacetylaspartic acid 0.46
CAR 20:2 0.46
PC O-36:0 0.46
Lys-Ile 0.46
FA 30:0 0.46
TG 45:0; TG 14:0_15:0_16:0 0.46
Cer 36:2;O2; Cer 18:2;O2/18:0 0.46
Ile-Gln 0.45
FA 28:0 0.45
PE O-38:5 (1); PE O-16:1_22:4 0.45
CAR 6:0;O (1) 0.45
Val-Gln 0.45
TG 51:1; TG 16:0_17:0_18:1 0.45
Disaccharide 0.45
Thr-Thr 0.45
N1-Acetylspermidine 0.45
CAR 3:0 0.45
SM 36:2;O2; SM 18:1;O2/18:1 0.45
PS 38:3; PS 18:0_20:3 0.45
TG 49:1; TG 15:0_16:0_18:1 0.45
PE 32:1; PE 16:0_16:1 0.45
CE 20:4 0.44
TG 46:0; TG 12:0_16:0_18:0 0.44
Cer 40:1;O2; Cer 18:1;O2/22:0 0.44
Ala-Ala 0.44
gamma-Glu-Leu 0.44
FA 21:0 0.44
Val-Glu 0.44
PG 32:1; PG 16:0_16:1 0.44
PE O-32:1; PE O-16:1_16:0 0.44
PC 40:1 0.44
CAR 20:1 0.44
FA 16:0;O 0.44
PC 34:2;O2; PC 16:0_18:2;O2 0.44
LPC O-16:0 0.43
LPE 20:1 0.43
PC 29:0 0.43
Lysine 0.43
CAR 17:0 0.43
LPS 18:0 0.43
CL 72:7; CL 18:1_18:2_18:2_18:2 0.43
PC O-38:6 0.43
PI 38:6 (2); PI 16:0_22:6 0.43
Cytidine 2',3'-cyclic monophosphoric acid 0.42
PS 36:4; PS 16:0_20:4 0.42
TG 54:1; TG 16:0_20:0_18:1 0.42
TG 58:3; TG 16:0_24:1_18:2 0.42
PC 38:3; PC 18:0_20:3 0.41
Allantoin 0.41
Cytosine 0.41
Cer 38:1;O2; Cer 18:1;O2/20:0 0.41
SM 40:1;O2; SM 18:1;O2/22:0 0.4
SM 34:1;O2; SM 18:1;O2/16:0 0.4
FAHFA 40:4;O; FAHFA 22:4/18:0;O 0.4
Linoleoyl coenzyme A 0.4
PC 31:2 0.4
FAHFA 36:3;O; FAHFA 18:2/18:1;O 0.4
CL 74:7; CL 18:1_18:1_18:2_20:3 0.39
Succinic acid 0.39
TG 57:2; TG 16:0_23:0_18:2 0.39
LPG 16:0 0.39
PC 40:6; PC 20:2_20:4 0.39
PC 40:5; PC 18:0_22:5 0.39
FA 14:0 0.39
Glutaric acid 0.39
PC 36:0; PC 18:0_18:0 0.38
TG 56:2; TG 16:0_18:1_22:1 0.38
FA 25:0 0.38
PC 40:2 0.38
LPC 24:1/0:0 0.38
PS 40:1; PS 22:0_18:1 0.38
FA 24:0 0.38
Pro-Pro 0.38
PS 34:1; PS 16:0_18:1 0.37
Carnitine 0.37
3-Hydroxyisobutyric acid 0.37
PE 38:6 (2); PE 16:0_22:6 0.37
Malonic acid 0.37
PE O-40:7; PE O-18:1_22:6 0.37
LPI 15:0 0.36
Ile-Asp 0.36
N-Acetylalanine 0.36
PC 38:2; PC 18:0_20:2 0.36
Uridine 5-monophosphate 0.36
LPE 24:0 0.36
Hypoxanthine 0.36
Per2 0.36
CAR 16:0 0.36
PC 34:3; PC 16:0_18:3 0.36
TG 48:0; TG 15:0_16:0_17:0 0.36
Cer 38:2;O2; Cer 18:2;O2/20:0 0.36
Cer 38:0;O3; Cer 18:0;O3/20:0 0.36
CAR 15:0 0.36
PC O-34:2 0.35
PC 42:2; PC 24:0_18:2 0.35
Cer 41:0;O3; Cer 18:0;O3/23:0 0.35
PG 38:5; PG 18:1_20:4 0.35
CL 72:6; CL 18:1_18:1_18:2_18:2 0.35
Pantothenic acid 0.35
PC 38:6 (2); PC 16:0_22:6 0.35
Rev-Erbα 0.35
PE 40:7;O; PE 20:4_20:3;O 0.35
CAR 20:4 0.35
PC O-37:8 0.35
SM 38:4;O2; SM 21:0;O2/17:4 0.34
PC 42:1 0.34
SM 38:1;O2 0.34
Pro-Ala 0.34
PC 44:4 0.34
SM 40:4;O2 0.33
Daidzein 4'-sulfate 0.33
CAR 20:0 0.33
Pyridoxal 0.33
Isoleucine 0.33
FA 22:0 0.33
PE 31:0; PE 15:0_16:0 0.33
PC 32:1; PC 16:0_16:1 0.33
CoQ8 0.33
Citric acid 0.32
TG 58:2; TG 16:0_18:1_24:1 0.32
PG 44:12; PG 22:6_22:6 0.32
Histidine 0.32
PC O-34:1 0.31
Fructose 6-phosphate 0.31
Suberic acid 0.31
Cer 34:2;O2; Cer 18:2;O2/16:0 0.31
CAR 18:0 0.31
PE 38:1; PE 18:0_20:1 0.3
Thiamine 0.3
FA 20:5 (2) 0.3
Cer 36:1;O2; Cer 18:1;O2/18:0 0.3
PC O-36:4 0.3
ST 27:1;O;S 0.3
Gly-Glu 0.29
FA 32:0 0.29
FA 20:0 0.29
PE O-38:5 (2); PE O-18:1_20:4 0.29
Aconitic acid, cis- 0.29
TG 60:2; TG 16:0_26:0_18:2 0.29
Creatinine 0.29
CAR 2:0 0.29
CAR 4:0 0.28
Adenine 0.28
PE 42:7;O; PE 20:4_22:3;O 0.28
Genistein-4'-glucuronide 0.28
PC O-38:5 0.28
Glu-Lys 0.28
1-beta-Arabinofuranosyluracil 5'-monophosphate 0.27
PC 42:5; PC 22:1_20:4 0.27
Pro-Asp 0.27
Ser-Glu 0.27
PE O-38:2 (2); PE O-18:1_20:1 0.27
PS 38:1; PS 20:0_18:1 0.27
Arachidonoyl coenzyme A 0.27
Glycine 0.27
Phosphoenolpyruvic acid 0.26
1-Methylhistidine 0.26
Cer 34:0;O3; Cer 18:0;O3/16:0 0.26
Flavine mononucleotide 0.26
Cer 34:1;O2; Cer 18:1;O2/16:0 0.26
Malic acid 0.26
Sucrose 0.25
CAR 6:0;O (2) 0.25
Cytidine 5'-monophospho-N-acetylneuraminic acid 0.24
Cytidine 5'-monophosphate 0.24
Tryptamine 0.24
Leucine 0.24
FA 20:3 0.23
PC O-38:4 (2) 0.23
PG 34:2 (1); PG 16:0_18:2 0.23
DG 38:4; DG 18:0_20:4 0.23
TG 56:1; TG 16:0_22:0_18:1 0.23
Glu-Gln 0.23
PE O-36:2; PE O-18:1_18:1 0.23
Nicotinamide 0.22
Creatine 0.22
Choline 0.22
Phenylacetaldehyde 0.22
FA 30:1 0.22
FA 13:0 0.22
Serine 0.22
Sarcosine 0.21
SM 36:5;O2 0.21
N6-Threonylcarbamoyladenosine 0.21
Aspartic acid 0.21
NAE 18:0 0.21
FA 24:0;O 0.21
Alanine 0.21
N-Acetylneuraminate 0.2
PC O-34:0 0.2
N-Acetylserine 0.2
gamma-Glu-Gln 0.2
PE 40:4; PE 18:0_22:4 0.2
N,N-Dimethylguanosine 0.2
Lactic acid 0.2
CL 70:5; CL 16:0_18:1_18:2_18:2 0.19
FAHFA 27:0;O; FAHFA 3:0/24:0;O 0.19
Tyrosine 0.19
SM 36:1;O2; SM 18:1;O2/18:0 0.19
PC O-36:2 0.19
Ser-Ile 0.19
CAR 4:0;O 0.19
Cytidine 3'-monophosphate 0.19
FA 32:1 0.18
Val-Leu 0.18
CL 92:4; CL 18:0_26:0_28:0_20:4 0.18
PC 42:4 (1) 0.18
NAE 16:0 0.18
Glutamine 0.17
SM 34:2;O2; SM 18:2;O2/16:0 0.17
Taurine 0.17
Piperidine 0.16
Val-Asp 0.16
Asparagine 0.16
FA 23:0 0.15
TMAO 0.15
Ser-Leu 0.14
DG 40:4; DG 18:0_22:4 0.14
FAHFA 25:0;O; FAHFA 3:0/22:0;O 0.13
Acetyl-beta-alanine 0.13
N-Acetylaspartic acid 0.12
trans-Crotonobetaine 0.12
NAOrn 27:1;O 0.12
Pyridoxal 5-phosphate 0.11
Methionine 0.11
PE O-40:5; PE O-18:1_22:4 0.1
Tyramine 0.1
Model performance: Q2 = 0.990, p < 0.001 (based on 1000 permutations, 5-fold cross-validation).
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Explorer data - PCA, PLS-DA

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