Explorer

PCA
PLS-DA
Analyte VIP score
PE 31:0; PE 15:0_16:0 2.72
Tetrasaccharide 2.69
Adenylosuccinic acid 2.67
SM 40:4;O2 2.67
CAR 22:0 2.64
CAR 12:0;O 2.63
Phenylacetylaspartic acid 2.61
PE 36:6; PE 14:0_22:6 2.6
Trisaccharide 2.58
PE O-32:1; PE O-16:1_16:0 2.58
5'-S-Methyl-5'-thioadenosine 2.57
CAR 16:2 2.56
PI 40:7; PI 18:1_22:6 2.56
N,N-Dimethylguanosine 2.55
N6-Threonylcarbamoyladenosine 2.54
FA 32:1 2.53
PMeOH 34:2; PMeOH 16:0_18:2 2.5
PC 31:2 2.44
PG 32:1; PG 16:0_16:1 2.43
PC 41:1 2.43
PG 44:12; PG 22:6_22:6 2.42
TG 60:11; TG 18:2_20:4_22:5 2.37
Glu-Gly-Arg 2.36
FAHFA 24:0;O; FAHFA 4:0/20:0;O 2.36
PG O-34:2; PG O-18:2_16:0 2.36
Uridine diphosphate glucuronic acid 2.34
LPG 16:0 2.34
CAR 16:1 (2) 2.33
Thr-Leu 2.31
Glu-Phe 2.31
LPE O-17:1 2.31
Gln-Leu 2.29
FAHFA 26:0;O; FAHFA 2:0/24:0;O 2.29
Ile-Phe 2.29
FA 28:6;O 2.27
Ile-Tyr 2.27
PI 30:0; PI 14:0_16:0 2.26
FAHFA 27:0;O; FAHFA 3:0/24:0;O 2.26
PC O-44:6 2.2
Daidzein 2.18
PMeOH 34:1; PMeOH 16:0_18:1 2.18
LPC 20:5/0:0 (1) 2.17
LPE 20:2 2.17
S-Lactoylglutathione 2.16
CAR 14:2;O 2.15
CAR 18:1;O 2.14
PG 38:6 (2); PG 16:0_22:6 2.12
CL 74:7; CL 18:1_18:1_18:2_20:3 2.11
LPI 16:0 2.1
PC O-30:1 2.0
FAHFA 25:0;O; FAHFA 3:0/22:0;O 1.97
TG 58:11; TG 18:2_20:4_20:5 1.79
TG 60:12; TG 18:2_20:4_22:6 1.73
N-Acetylcitrulline 1.63
FA 20:4;O 1.57
Pipecolic acid 1.55
TG 58:10 (2); TG 16:0_20:4_22:6 1.5
Xanthurenic acid 1.48
FA 21:1 1.47
PC O-30:0 1.42
TG 48:0; TG 15:0_16:0_17:0 1.42
FA 22:6;O 1.4
FA 22:5;O 1.4
TG 56:9; TG 18:2_18:3_20:4 1.38
Aconitic acid, trans- 1.38
FA 21:4 1.37
Citrulline 1.36
TG 62:11; TG 18:2_22:4_22:5 1.35
CAR 14:0;O 1.35
Pro-Asp 1.34
PC 24:0 1.34
N-Acetylcarnosine 1.33
TG 58:10 (1); TG 18:2_20:4_20:4 1.32
SM 28:1;O2 1.31
N-Acetylaspartylglutamic acid 1.3
FA 21:3 1.3
TG 54:6 (1); TG 18:2_18:2_18:2 1.3
PC 30:3 1.29
TG 60:10; TG 18:1_20:4_22:5 1.29
TG 56:8 (1); TG 18:2_18:2_20:4 1.28
LPC 23:0/0:0 1.28
TG 56:8 (2); TG 16:0_18:2_22:6 1.27
CAR 6:0;O (1) 1.27
SM 36:0;O2 1.26
FA 20:2;O 1.26
Ala-Leu 1.26
PC 28:0; PC 14:0_14:0 1.26
gamma-Glu-Cys 1.25
Vanillin-4-sulfate 1.25
HexCer 36:1;O2 1.25
LPC 14:0/0:0 1.24
TG 53:6; TG 15:0_18:2_20:4 1.24
PE 34:4; PE 14:0_20:4 1.23
CAR 8:0 1.22
3-Hydroxybutyric acid 1.22
Indolelactic acid 1.22
CL 70:7; CL 16:1_18:2_18:2_18:2 1.21
CAR 4:1;O2 1.19
Dimethylarginine 1.19
TG 58:8; TG 18:1_18:2_22:5 1.19
Aconitic acid, cis- 1.19
PI 32:0; PI 16:0_16:0 1.18
Urocanic acid 1.18
CAR 14:1 1.17
TG 54:6 (2); TG 16:0_18:2_20:4 1.17
TG 54:7; TG 16:0_18:2_20:5 1.17
4-Guanidinobutyric acid 1.17
PC 34:4; PC 14:0_20:4 1.16
PC 32:2; PC 16:1_16:1 1.15
DG 40:4; DG 18:0_22:4 1.15
Cer 41:2;O2; Cer 18:2;O2/23:0 1.15
Ile-Asp 1.14
CAR 12:0 1.14
PEtOH 34:1; PEtOH 16:0_18:1 1.13
PC O-34:2 1.13
FA 22:6 1.13
PC 34:2;O; PC 16:0_18:2;O 1.12
PE O-38:2 (1); PE O-20:0_18:2 1.12
TG 37:1; TG 9:0_10:0_18:1 1.11
1-Methyluric acid 1.11
Histamine 1.11
Glutaric acid 1.11
TG 51:4; TG 15:0_18:2_18:2 1.11
N-Acetylvaline 1.11
PC 30:0; PC 14:0_16:0 1.1
Thymidine 1.1
CAR 15:0 1.09
FA 22:5 (1) 1.08
TG 54:5; TG 16:0_18:1_20:4 1.08
CAR 10:0;O 1.08
CAR 20:3 1.08
PG 38:4; PG 18:0_20:4 1.08
3-Hydroxyisobutyric acid 1.07
Cysteine-glutathione disulfide 1.07
Rev-Erbα 1.07
CAR 17:0 1.07
CAR 5:1 1.07
Glutathione (oxidized) 1.06
PC 30:2; PC 12:0_18:2 1.06
N-Acetylarginine 1.06
CAR 14:0 1.06
Carnosine 1.06
CAR 8:0;O 1.06
LPC 20:5/0:0 (2) 1.05
LPI 20:4 1.05
FA 20:5 (1) 1.05
TG 36:1; TG 8:0_10:0_18:1 1.05
CL 72:6; CL 18:1_18:1_18:2_18:2 1.05
N6-Succinyladenosine 1.05
Glycocholic acid 1.05
CAR 18:2 1.05
PC 29:0 1.05
PC 32:4; PC 12:0_20:4 1.04
FA 22:5 (2) 1.04
Ala-Ala 1.04
Glu-Lys 1.04
N-Acetylleucine 1.04
Sucrose 1.04
PEtOH 34:2; PEtOH 16:0_18:2 1.04
PC O-36:2 1.04
Thymine 1.03
TG 51:3; TG 15:0_18:1_18:2 1.03
TG 44:3; TG 8:0_18:1_18:2 1.03
CAR 6:0 1.03
Ophthalmic acid 1.02
CAR 18:3 1.02
PS 38:1; PS 20:0_18:1 1.02
Val-Gln 1.02
N-Acetylglutamic acid 1.02
TG 45:3; TG 10:0_17:1_18:2 1.02
HexCer 41:1;O2 1.02
LPC 18:2/0:0 1.01
CAR 4:0;O 1.01
TG 52:4 (1); TG 16:1_18:1_18:2 1.01
TG 52:4 (2); TG 16:0_16:0_20:4 1.01
4-Acetamidobutanoic acid 1.0
CAR 10:0 1.0
2-Hydroxybutyric acid 1.0
PS 40:1; PS 22:0_18:1 1.0
CL 74:10; CL 18:2_18:2_18:2_20:4 1.0
TG 46:5; TG 10:0_18:2_18:3 0.99
Disaccharide 0.99
Val-Glu 0.99
HexCer 34:1;O2; HexCer 18:1;O2/16:0 0.99
SM 38:4;O2; SM 21:0;O2/17:4 0.99
CAR 20:0 0.99
PC O-41:11 0.99
PE O-38:2 (2); PE O-18:1_20:1 0.98
N-Acetylhistidine 0.98
NAOrn 17:0;O 0.98
N,N-Dimethylarginine 0.98
PE O-34:3; PE O-16:1_18:2 0.98
FA 18:3 0.97
PC 42:2; PC 24:0_18:2 0.97
4-Hydroxyisoleucine 0.97
PI 38:3; PI 18:0_20:3 0.97
CAR 18:1 0.96
TG 56:5; TG 16:0_18:1_22:4 0.96
PC 44:4 0.96
gamma-Glu-Glu 0.96
FA 20:4;O2 0.96
PE O-35:2; PE O-17:1_18:1 0.96
FA 19:2 0.96
Cer 40:2;O2; Cer 18:2;O2/22:0 0.95
PC 44:5 0.95
PEtOH 36:2; PEtOH 18:0_18:2 0.95
LPC 24:0/0:0 0.95
Pseudouridine 0.95
PC O-35:8 (2) 0.95
PI 34:2; PI 16:0_18:2 0.95
FA 22:4 0.95
DG 36:5; DG 18:2_18:3 0.95
CAR 10:1 0.95
PE O-36:3; PE O-18:2_18:1 0.94
CAR 2:0 0.94
Cer 34:0;O3; Cer 18:0;O3/16:0 0.94
TG 53:3; TG 17:0_18:1_18:2 0.94
N-Acetyl-S-benzylcysteine 0.94
CAR 16:1 (1) 0.94
TG 38:3; TG 8:0_12:0_18:3 0.94
CAR 20:2 0.94
Serotonin 0.94
Flavine mononucleotide 0.93
PS 38:3; PS 18:0_20:3 0.93
Glutathione (reduced) 0.93
TG 46:4 (1); TG 10:0_18:2_18:2 0.93
CAR 5:0 0.93
TG 52:6 (1); TG 16:1_18:2_18:3 0.93
SM 36:1;O2; SM 18:1;O2/18:0 0.93
PI 36:1; PI 18:0_18:1 0.93
SM 32:1;O2; SM 16:1;O2/16:0 0.93
SM 36:2;O2; SM 18:1;O2/18:1 0.92
LPC 22:1/0:0 0.92
PC O-38:7 0.92
Phosphoenolpyruvic acid 0.92
N-gamma-Glu-Leu 0.92
CAR 16:0 0.92
Lys-Ile 0.92
2'-Deoxyuridine 5'-monophosphate 0.92
PC 36:4 (1); PC 18:2_18:2 0.92
Cer 44:0;O3; Cer 20:0;O3/24:0 0.92
CAR 4:0 0.91
TG 44:4 (1); TG 8:0_18:2_18:2 0.91
PC O-34:1 0.91
TG 50:4 (2); TG 14:0_16:0_20:4 0.91
PG 36:4 (1); PG 18:2_18:2 0.91
TG 38:1; TG 10:0_12:0_16:1 0.91
Cer 42:2;O3; Cer 18:0;O3/24:2 0.91
DG 34:3; DG 16:1_18:2 0.91
TG 46:3; TG 10:0_18:1_18:2 0.91
Arginine 0.91
NAE 18:2 0.91
ST 27:1;O;S 0.91
Glucose 1-phosphate 0.91
TG 40:3; TG 10:0_12:0_18:3 0.9
Cer 44:2;O2; Cer 18:1;O2/26:1 0.9
PC O-37:8 0.9
CAR 18:0 0.9
N-Acetylphenylalanine 0.9
PE O-36:2; PE O-18:1_18:1 0.9
alpha-Ketoglutaric acid 0.9
TG 42:3; TG 10:0_14:0_18:3 0.9
FA 20:4 0.9
CAR 6:0;O (2) 0.9
PC O-38:8 0.9
Allothreonine 0.9
PC 36:6; PC 14:0_22:6 0.89
PI 38:6 (1); PI 18:2_20:4 0.89
S-Succinylcysteine 0.89
LPC 22:0/0:0 0.89
Glu-Gln 0.89
CAR 20:1 0.89
LPC 24:1/0:0 0.89
FA 19:1 0.89
LPC 24:2/0:0 0.89
PE O-34:2; PE O-16:1_18:1 0.89
PS 34:1; PS 16:0_18:1 0.89
PC O-34:0 0.89
Orotic acid 0.88
PS 36:1; PS 18:0_18:1 0.88
TG 47:3; TG 12:0_17:1_18:2 0.88
PC O-37:9 0.88
PC O-38:5 0.88
PE O-36:6; PE O-16:1_20:5 0.88
PC O-38:4 (1) 0.88
Citric acid 0.88
Cytidine 5'-diphosphocholine 0.88
TG 46:0; TG 12:0_16:0_18:0 0.88
Val-Asp 0.88
PC 33:0; PC 16:0_17:0 0.88
PC 31:1 0.87
FA 17:2 0.87
Carnitine 0.87
TG 43:1; TG 10:0_15:0_18:1 0.87
DG 38:4; DG 18:0_20:4 0.87
Glutamine 0.87
Creatinine 0.87
HexCer 40:1;O2 0.87
PC 34:3; PC 16:0_18:3 0.87
CAR 3:0 0.87
PC O-38:6 0.87
PG 36:3; PG 18:1_18:2 0.87
PC 33:1; PC 15:0_18:1 0.87
N-Acetylputrescine 0.87
PC O-39:10 0.87
FA 18:0;O 0.87
Arg-Phe 0.86
Urea 0.86
N-Acetylthreonine 0.86
TG 48:6 (1); TG 10:0_18:2_20:4 0.86
CAR 22:2 0.86
LPE O-18:2 0.86
PE O-40:5; PE O-18:1_22:4 0.86
CAR 20:4 0.85
PE O-38:5 (2); PE O-18:1_20:4 0.85
Cer 41:1;O2; Cer 18:1;O2/23:0 0.85
TG 41:1; TG 11:0_12:0_18:1 0.85
GM3 34:1;O2 0.85
PC 31:0; PC 15:0_16:0 0.85
N-Acetylhistamine 0.85
LPC 20:4/0:0 (2) 0.85
1-Methyladenosine 0.85
PI 36:2; PI 18:0_18:2 0.85
TG 40:1; TG 10:0_12:0_18:1 0.85
FA 18:1;O 0.84
TG 52:3; TG 16:0_18:1_18:2 0.84
LPC 20:3/0:0 0.84
Guanosine 0.84
FA 24:6 0.84
TG 48:4 (2); TG 12:0_16:0_20:4 0.84
TG 36:2; TG 8:0_10:0_18:2 0.84
PG 34:1; PG 16:0_18:1 0.84
PC 30:1; PC 14:0_16:1 0.84
PI 38:6 (2); PI 16:0_22:6 0.84
PC 42:1 0.84
Ser-Leu 0.84
PC 42:4 (2) 0.84
PC 40:2 0.84
TG 50:4 (1); TG 14:0_18:2_18:2 0.84
LPG 18:2 0.84
TG 50:6 (1); TG 12:0_18:2_20:4 0.83
PI 38:5; PI 18:1_20:4 0.83
FA 17:1 0.83
PC O-35:8 (1) 0.83
TG 42:1; TG 8:0_16:0_18:1 0.83
TG 50:7; TG 10:0_18:2_22:5 0.83
PG 38:6 (1); PG 18:2_20:4 0.83
PC 34:1; PC 16:0_18:1 0.83
CL 75:8; CL 18:1_18:2_18:2_21:3 0.83
TG 43:2; TG 10:0_15:0_18:2 0.83
TG 47:4; TG 11:0_18:2_18:2 0.83
Val-Val 0.83
TG 44:2; TG 10:0_16:0_18:2 0.82
Glutamic acid 0.82
PE 34:3; PE 16:1_18:2 0.82
TG 50:3; TG 14:0_18:1_18:2 0.82
Fumaric acid 0.82
Lysine 0.82
HexCer 42:1;O2 0.82
TG 38:2; TG 10:0_10:0_18:2 0.82
PC 35:1; PC 17:0_18:1 0.81
CL 72:7; CL 18:1_18:2_18:2_18:2 0.81
PC O-36:4 0.81
PC 38:3; PC 18:0_20:3 0.81
PS 36:2; PS 18:0_18:2 0.81
PE 42:7;O; PE 20:4_22:3;O 0.81
FA 20:1 0.81
PG 36:2; PG 18:1_18:1 0.81
Trimethyllysine 0.81
PC 40:1 0.81
LPE 18:2 0.81
LPE 22:4 0.8
CL 72:8; CL 18:2_18:2_18:2_18:2 0.8
TG 54:8; TG 14:0_18:2_22:6 0.8
gamma-Glu-Gln 0.8
PC 38:6 (1); PC 18:2_20:4 0.8
Guanine 0.8
PE O-40:7; PE O-18:1_22:6 0.8
TG 48:4 (1); TG 12:0_18:2_18:2 0.8
Arg-Pro 0.8
TG 44:1; TG 12:0_14:0_18:1 0.8
FA 20:2 0.8
TG 46:4 (2); TG 10:0_16:0_20:4 0.8
Pyridoxal 5-phosphate 0.79
Fructose 6-phosphate 0.79
HexCer 34:0;O3 0.79
TG 45:1; TG 14:0_15:0_16:1 0.79
FA 16:1 0.79
PG 36:1; PG 18:0_18:1 0.79
PC 42:5; PC 22:1_20:4 0.79
PE O-38:7 (1); PE O-18:3_20:4 0.79
PE O-40:8; PE O-18:2_22:6 0.79
PC 33:2; PC 15:0_18:2 0.79
PG 40:8; PG 18:2_22:6 0.78
TG 42:2; TG 10:0_14:0_18:2 0.78
trans-Crotonobetaine 0.78
gamma-Glu-Tyr 0.78
PG 34:2 (2); PG 16:0_18:2 0.78
PC 44:8 0.78
PC O-38:4 (2) 0.78
PC 32:0; PC 16:0_16:0 0.78
TG 54:3; TG 18:0_18:1_18:2 0.78
PC 34:0; PC 16:0_18:0 0.78
PI 38:4; PI 18:0_20:4 0.78
FA 18:4 0.78
TG 40:2; TG 10:0_12:0_18:2 0.78
TG 41:2; TG 11:0_12:0_18:2 0.78
PI 36:4; PI 16:0_20:4 0.78
PC 36:0; PC 18:0_18:0 0.78
LPI 18:0 0.78
PC 36:2; PC 18:1_18:1 0.77
PC 32:1; PC 16:0_16:1 0.77
PC 35:2; PC 17:0_18:2 0.77
Serine 0.77
FA 19:0 0.77
Succinic acid 0.77
LPC 18:3/0:0 0.77
SM 38:1;O2 0.77
Pantothenic acid 0.77
Flavin adenine dinucleotide 0.77
Threonine 0.77
LPC O-16:0 0.77
PG 34:2 (1); PG 16:0_18:2 0.77
N-Acetylmethionine 0.77
Xanthosine 0.77
PC 34:2; PC 16:0_18:2 0.76
Cysteic acid 0.76
PE O-38:5 (1); PE O-16:1_22:4 0.76
PG 42:10; PG 20:4_22:6 0.76
Ornithine 0.76
LPE 22:6 0.76
LPC 20:1/0:0 0.76
TG 56:3; TG 20:0_18:1_18:2 0.76
PE 38:6 (1); PE 18:2_20:4 0.76
PE O-36:5; PE O-16:1_20:4 0.76
Cer 33:1;O2; Cer 17:1;O2/16:0 0.76
LPC 18:1/0:0 0.76
Phenol sulfate 0.75
PE O-37:5; PE O-17:1_20:4 0.75
Anserine 0.75
DG 38:6; DG 16:0_22:6 0.75
DG 36:4 (1); DG 18:2_18:2 0.75
LPC 20:2/0:0 0.75
PS 40:6; PS 18:0_22:6 0.75
Glucose 0.74
Pro-hydroxy-Pro 0.74
Argininosuccinic acid 0.74
Uric acid 0.74
Cytidine 5'-monophosphate 0.74
LPE 22:5 0.74
TG 45:2; TG 12:0_15:0_18:2 0.74
LPE O-16:1 0.74
FA 18:2 0.74
alpha-Hydroxyglutaric acid 0.74
FA 26:1 0.74
PC 37:6; PC 15:0_22:6 0.74
PE 39:6; PE 17:0_22:6 0.74
TG 52:6 (2); TG 14:0_16:0_22:6 0.73
FAHFA 36:3;O; FAHFA 18:2/18:1;O 0.73
Thiamine 0.73
Proline 0.73
DG 28:3; DG 10:0_18:3 0.73
Leu-Thr 0.73
LPI 15:0 0.73
TG 48:3; TG 12:0_18:1_18:2 0.73
LPC 17:0/0:0 0.73
PI 40:5; PI 18:0_22:5 0.73
TG 55:2; TG 18:0_18:1_19:1 0.73
Xanthine 0.73
PE 38:1; PE 18:0_20:1 0.73
PG 32:0; PG 16:0_16:0 0.73
Cer 42:3;O2; Cer 18:2;O2/24:1 0.72
TG 58:5; TG 18:0_18:1_22:4 0.72
PC 40:6; PC 20:2_20:4 0.72
SM 42:3;O2; SM 29:2;O2/13:1 0.72
FA 17:0 0.72
LPC 16:0/0:0 0.72
FA 22:3 0.72
Glycine 0.72
Nicotinic acid 0.72
PE 38:2; PE 18:0_20:2 0.72
N-Acetylserine 0.71
Malic acid 0.71
PE O-39:5; PE O-17:1_22:4 0.71
LPS 17:0 0.71
Cer 43:1;O2; Cer 18:1;O2/25:0 0.71
FA 25:1 0.71
Val-Tyr 0.71
gamma-Glu-Leu 0.71
Asparagine 0.71
SM 42:2;O2; SM 18:1;O2/24:1 0.71
His-Trp 0.71
Hypotaurine 0.71
Cer 34:1;O3; Cer 18:1;O2/16:0;(OH)2 0.71
PC O-37:10 0.71
Gly-Glu 0.7
LPC 16:1/0:0 0.7
Genistein-4'-glucuronide 0.7
PC 42:4 (1) 0.7
Cer 40:1;O2; Cer 18:1;O2/22:0 0.7
PE O-35:5; PE O-15:1_20:4 0.7
5-Aminovaleric acid betaine 0.7
TG 60:6; TG 18:1_20:1_22:4 0.7
Cer 42:2;O2; Cer 18:2;O2/24:0 0.7
Ser-Ile 0.7
PC 38:2; PC 18:0_20:2 0.7
N,N-Dimethylvaline 0.7
3-Indoxyl sulfate 0.7
PC 38:5; PC 18:1_20:4 0.7
LPE 18:1 0.69
TG 35:0; TG 10:0_12:0_13:0 0.69
PC 36:1; PC 18:0_18:1 0.69
Methionine sulfoxide 0.69
SM 34:1;O2; SM 18:1;O2/16:0 0.69
Pro-Pro 0.69
SM 36:5;O2 0.69
FA 22:2 0.69
FA 24:5 0.69
N1-Acetylspermidine 0.69
TG 38:0; TG 10:0_12:0_16:0 0.69
Lactic acid 0.69
Cytosine 0.69
SM 34:2;O2; SM 18:2;O2/16:0 0.69
TG 53:2; TG 17:0_18:1_18:1 0.69
Cer 36:1;O2; Cer 18:1;O2/18:0 0.69
PG 36:4 (2); PG 16:0_20:4 0.69
FA 20:3 0.68
DG 36:3; DG 18:1_18:2 0.68
N-Acetylaspartic acid 0.68
N-Acetylglucosamine 6-phosphate 0.68
PC O-36:0 0.68
Allantoin 0.68
Inosine 0.68
FA 18:1 0.68
TG 46:2; TG 12:0_16:0_18:2 0.68
Ile-Pro-Ile 0.68
PE 38:3; PE 18:0_20:3 0.68
Uridine 0.68
FA 23:1 0.68
Taurine 0.68
PS 37:4; PS 17:0_20:4 0.67
TG 46:1; TG 12:0_16:0_18:1 0.67
CL 92:4; CL 18:0_26:0_28:0_20:4 0.67
Acetyl-beta-alanine 0.67
PE 34:1; PE 16:0_18:1 0.67
TG 60:4; TG 18:1_24:1_18:2 0.67
Adenosine 3'-monophosphate 0.67
PC 35:4; PC 15:0_20:4 0.67
FA 24:0;O 0.67
LPC 20:0/0:0 0.67
TG 48:6 (2); TG 10:0_16:0_22:6 0.67
Hippuric acid 0.67
TG 36:0; TG 10:0_12:0_14:0 0.66
Suberic acid 0.66
TG 38:4; TG 8:0_10:0_20:4 0.66
PE 40:7;O; PE 20:4_20:3;O 0.66
PE O-38:7 (2); PE O-16:1_22:6 0.66
PE 36:1; PE 18:0_18:1 0.66
Spermidine 0.66
LPC 19:0/0:0 0.66
PE 40:5; PE 18:0_22:5 0.66
Methionine 0.66
TG 37:0; TG 10:0_12:0_15:0 0.66
FA 26:5 0.66
Tyrosine 0.66
Histidine 0.66
TG 44:4 (2); TG 12:0_14:0_18:4 0.65
FA 14:1 0.65
PE 40:6; PE 18:0_22:6 0.65
TG 40:0; TG 10:0_14:0_16:0 0.65
FA 22:1 0.65
Choline 0.65
PS 34:2; PS 16:0_18:2 0.65
PC 38:6 (2); PC 16:0_22:6 0.65
Gly-Leu 0.64
Cytidine 0.64
FA 24:3 0.64
TG 47:2; TG 14:0_15:0_18:2 0.64
Deoxycytidine 0.64
PS 40:5; PS 18:0_22:5 0.64
Cer 43:0;O3; Cer 18:0;O3/25:0 0.64
N-Acetylalanine 0.64
FA 26:6 0.64
FA 30:1 0.64
LPE 16:0 0.64
LPE 17:0 0.64
PC 37:4; PC 17:0_20:4 0.64
PE 36:2; PE 18:1_18:1 0.64
5-Methyl-2'-deoxycytidine 0.64
Hypoxanthine 0.63
SM 40:1;O2; SM 18:1;O2/22:0 0.63
Leucine 0.63
Creatine 0.63
Xanthosine 5'-monophosphate 0.63
Alanine 0.63
TG 52:2; TG 16:0_18:0_18:2 0.63
Ala-Val 0.63
SM 33:1;O2; SM 17:1;O2/16:0 0.63
SM 42:1;O2; SM 18:1;O2/24:0 0.63
Cer 30:1;O2; Cer 18:1;O2/12:0 0.62
TG 51:2; TG 16:0_17:1_18:1 0.62
DG 28:1; DG 10:0_18:1 0.62
Leu-Ile 0.62
TG 47:1; TG 15:0_16:0_16:1 0.62
TMAO 0.62
LPC 22:5/0:0 0.62
Phenylalanine 0.62
N-epsilon-Methyllysine 0.62
NAE 16:0 0.61
Pyruvic acid 0.61
SM 43:1;O2 0.61
TG 50:6 (2); TG 12:0_16:0_22:6 0.61
FA 16:2 0.61
Aspartic acid 0.61
Thr-Thr 0.61
FA 24:2 0.61
PC 37:2; PC 19:0_18:2 0.61
SM 34:0;O2 0.61
TG 34:0; TG 10:0_12:0_12:0 0.61
PE 40:8; PE 18:2_22:6 0.61
TG 32:0; TG 8:0_10:0_14:0 0.61
SM 38:2;O2; SM 21:0;O2/17:2 0.61
Kynurenine 0.61
Isoleucine 0.61
FA 24:1 0.6
Cer 38:0;O3; Cer 18:0;O3/20:0 0.6
TG 58:3; TG 16:0_24:1_18:2 0.6
Cer 44:1;O2; Cer 20:1;O2/24:0 0.6
PC 37:8 0.6
DG 28:2; DG 10:0_18:2 0.6
N-Acetylornithine 0.6
PE 40:4; PE 18:0_22:4 0.6
Uridine 5'-diphosphoacetylglucosamine 0.6
TG 39:0; TG 12:0_13:0_14:0 0.6
FA 26:2 0.6
PE 34:2; PE 16:0_18:2 0.59
SM 39:1;O2 0.59
TG 48:1; TG 14:0_16:0_18:1 0.59
TG 56:2; TG 16:0_18:1_22:1 0.59
LPE 18:0 0.59
LPC 18:0/0:0 0.58
TG 42:4; TG 10:0_12:0_20:4 0.58
Glucuronic acid 0.58
FA 24:4 0.58
TG 54:2; TG 16:0_18:1_20:1 0.58
Stachydrine (proline betaine) 0.58
TG 42:0; TG 12:0_14:0_16:0 0.58
FA 24:0 0.58
PC 36:4 (2); PC 16:0_20:4 0.58
TG 48:2; TG 14:0_16:0_18:2 0.58
Cer 36:2;O2; Cer 18:2;O2/18:0 0.58
Tryptophan 0.58
PE 38:6 (2); PE 16:0_22:6 0.58
FA 16:0;O 0.58
beta-Nicotinamide adenine dinucleotide 0.57
Cer 38:1;O2; Cer 18:1;O2/20:0 0.57
N-Acetylneuraminate 0.57
Betaine 0.57
LPS 18:0 0.57
TG 44:0; TG 10:0_16:0_18:0 0.57
Nicotinamide 0.56
DG 40:7; DG 18:2_22:5 0.56
LPC 15:0/0:0 0.56
Cer 34:1;O2; Cer 18:1;O2/16:0 0.56
FA 16:0 0.56
TG 30:0; TG 8:0_10:0_12:0 0.56
Sarcosine 0.55
Cytidine 5'-diphosphate ethanolamine 0.55
1-Methylhistidine 0.55
DG 30:3; DG 12:0_18:3 0.55
PS 36:4; PS 16:0_20:4 0.55
TG 50:2; TG 16:0_16:0_18:2 0.55
Malonic acid 0.55
Inosine 5'-monophosphate 0.54
DG 32:1; DG 14:0_18:1 0.54
TG 41:0; TG 10:0_15:0_16:0 0.54
PE 32:1; PE 16:0_16:1 0.54
Pro-Ala 0.54
TG 50:1; TG 16:0_16:0_18:1 0.54
TG 50:8; TG 10:0_18:2_22:6 0.54
Guanosine 5'-monophosphate 0.54
S-Adenosylhomocysteine 0.54
FA 21:0 0.53
TG 57:2; TG 16:0_23:0_18:2 0.53
Val-Ile 0.53
TG 52:8; TG 12:0_20:4_20:4 0.53
Ser-Glu 0.53
FA 14:0 0.53
TG 45:0; TG 14:0_15:0_16:0 0.53
FA 30:0 0.53
TG 49:1; TG 15:0_16:0_18:1 0.52
FA 22:0 0.52
SM 41:1;O2; SM 18:1;O2/23:0 0.52
DG 34:1; DG 16:0_18:1 0.51
Ile-Ser 0.51
PE 39:4; PE 19:0_20:4 0.51
Ala-Ile 0.51
SM 41:2;O2; SM 18:2;O2/23:0 0.51
FA 26:0 0.51
LPC 22:4/0:0 0.51
Isocitric acid 0.51
Pyridoxal 0.5
PE 38:5; PE 18:1_20:4 0.49
Cer 38:2;O2; Cer 18:2;O2/20:0 0.49
NAOrn 19:0;O 0.49
alpha-Aminoadipic acid 0.49
Uridine 5-monophosphate 0.48
Gluconic acid 0.48
TG 43:0; TG 10:0_16:0_17:0 0.48
FA 15:1 0.48
Glycero-3-phosphocholine 0.48
Trigonelline 0.48
FA 15:0 0.47
DG 26:2; DG 8:0_18:2 0.47
LPE 20:4 0.47
SM 40:2;O2; SM 18:2;O2/22:0 0.47
DG 40:8; DG 18:2_22:6 0.46
NAOrn 27:1;O 0.46
Cer 34:2;O2; Cer 18:2;O2/16:0 0.46
DG 32:0; DG 16:0_16:0 0.46
FA 18:0 0.46
DG 40:6; DG 18:2_22:4 0.46
PC 40:5; PC 18:0_22:5 0.46
PE 38:4; PE 18:0_20:4 0.45
FA 27:0 0.45
Cer 46:1;O3; Cer 20:0;O3/26:1 0.44
NAGly 31:1;O2; NAGly 16:0;O(FA 15:0) 0.44
DG 30:1; DG 12:0_18:1 0.44
Cer 42:1;O2; Cer 18:1;O2/24:0 0.44
FA 20:0 0.44
Adenine 0.44
FAHFA 40:4;O; FAHFA 22:4/18:0;O 0.44
PE 37:2; PE 19:0_18:2 0.44
FA 23:0 0.43
Cer 41:0;O3; Cer 18:0;O3/23:0 0.43
1-beta-Arabinofuranosyluracil 5'-monophosphate 0.43
NAE 18:0 0.43
LPC 20:4/0:0 (1) 0.42
FA 13:0 0.42
TG 60:2; TG 16:0_26:0_18:2 0.42
FA 25:0 0.41
DG 38:5; DG 16:0_22:5 0.41
Cer 32:1;O2; Cer 18:1;O2/14:0 0.4
Adenosine 5'-diphosphoribose 0.4
DG 32:2; DG 14:0_18:2 0.4
FA 28:0 0.4
Adenosine 0.39
Uridine diphosphate glucose 0.39
LPC 22:6/0:0 0.39
DG 36:4 (2); DG 16:0_20:4 0.39
TG 52:1; TG 16:0_18:0_18:1 0.39
Oxalic acid 0.38
Cytidine 5'-monophospho-N-acetylneuraminic acid 0.38
TG 58:2; TG 16:0_18:1_24:1 0.38
TG 51:1; TG 16:0_17:0_18:1 0.38
Cer 40:0;O3; Cer 18:0;O3/22:0 0.38
Val-Leu 0.37
FA 20:5 (2) 0.37
PC 39:4; PC 19:0_20:4 0.37
Cer 42:0;O3; Cer 18:0;O3/24:0 0.37
DG 30:4; DG 10:0_20:4 0.36
Cer 42:1;O3; Cer 18:0;O3/24:1 0.36
Per2 0.35
PC 38:4; PC 18:0_20:4 0.35
N-Acetylgalactosamine 4-sulfate 0.35
DG 34:4; DG 14:0_20:4 0.35
N-Acetylglucosaminylasparagine 0.35
PE 36:4; PE 16:0_20:4 0.35
DG 36:2; DG 18:0_18:2 0.34
DG 30:0; DG 14:0_16:0 0.33
Tyramine 0.33
Daidzein 4'-sulfate 0.33
Ectoine 0.32
CE 20:4 0.32
DG 36:1; DG 18:0_18:1 0.3
4-Pyridoxic acid 0.29
Pentose X-phosphate 0.27
Ergothioneine 0.26
Acetylcholine 0.25
Phenylacetaldehyde 0.23
TG 54:1; TG 16:0_20:0_18:1 0.23
Piperidine 0.23
TG 56:1; TG 16:0_22:0_18:1 0.2
CoQ9 0.2
Tryptamine 0.16
Cysteine-S-sulfate 0.15
Model performance: Q2 = 0.987, p < 0.001 (based on 1000 permutations, 5-fold cross-validation).
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Explorer data - PCA, PLS-DA

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