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PCA
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Analyte VIP score
FAHFA 27:0;O; FAHFA 3:0/24:0;O 4.54
PG O-34:2; PG O-18:2_16:0 4.29
PG 30:0; PG 14:0_16:0 4.16
TG 60:11; TG 18:2_20:4_22:5 4.08
FAHFA 36:2;O; FAHFA 18:1/18:1;O 3.91
PG 38:6 (2); PG 16:0_22:6 3.91
TG 58:11; TG 18:2_20:4_20:5 3.87
FAHFA 34:1;O; FAHFA 16:0/18:1;O 3.84
PG 32:1; PG 16:0_16:1 3.82
PMeOH 34:1; PMeOH 16:0_18:1 3.58
TG 62:11; TG 18:2_22:4_22:5 3.52
PC 34:2;O; PC 16:0_18:2;O 3.5
PE 36:6; PE 14:0_22:6 3.45
CL 76:12; CL 18:2_18:2_18:2_22:6 3.4
HexCer 36:1;O2 3.39
Xanthosine 5'-monophosphate 2.48
TG O-50:2; TG O-16:0_16:0_18:2 2.46
Hippuric acid 2.46
PC 30:3 2.44
DG 30:0; DG 14:0_16:0 2.42
PC 28:0; PC 14:0_14:0 2.41
TG 42:4; TG 10:0_12:0_20:4 2.36
PC 30:2; PC 12:0_18:2 2.34
PC O-30:1 2.32
PC 24:0 2.26
PC 32:4; PC 12:0_20:4 2.18
TG 40:0; TG 10:0_14:0_16:0 2.15
TG 38:0; TG 10:0_12:0_16:0 2.12
TG 46:0; TG 12:0_16:0_18:0 2.09
SM 28:1;O2 2.08
TG 44:0; TG 10:0_16:0_18:0 2.05
DG 32:2; DG 14:0_18:2 2.01
CAR 12:0 2.01
DG 34:4; DG 14:0_20:4 1.98
Pipecolic acid 1.98
TG 42:0; TG 12:0_14:0_16:0 1.98
FA 34:2 1.97
TG O-52:2; TG O-18:1_16:0_18:1 1.95
TG 44:4 (2); TG 12:0_14:0_18:4 1.92
PI 30:0; PI 14:0_16:0 1.9
TG 36:0; TG 10:0_12:0_14:0 1.9
PC 32:2; PC 16:1_16:1 1.89
PE 34:4; PE 14:0_20:4 1.88
TG 34:0; TG 10:0_12:0_12:0 1.86
PC O-30:0 1.85
PC 36:6; PC 14:0_22:6 1.83
PC 34:4; PC 14:0_20:4 1.8
TG 50:4 (2); TG 14:0_16:0_20:4 1.79
Acetylcholine 1.78
5-Aminovaleric acid betaine 1.78
TG O-54:2; TG O-20:0_16:0_18:2 1.78
Ergothioneine 1.78
CAR 14:0 1.77
SM 32:1;O2; SM 16:1;O2/16:0 1.76
PC 30:0; PC 14:0_16:0 1.74
TG 32:0; TG 8:0_10:0_14:0 1.73
FA 22:6;O 1.72
TG 30:0; TG 8:0_10:0_12:0 1.71
Val-Asp 1.7
Cer 32:1;O2; Cer 18:1;O2/14:0 1.69
NAGly 31:1;O2; NAGly 16:0;O(FA 15:0) 1.68
Val-Glu 1.68
FA 20:4;O 1.67
DG 30:1; DG 12:0_18:1 1.67
FAHFA 28:0;O; FAHFA 4:0/24:0;O 1.66
TG 48:0; TG 15:0_16:0_17:0 1.65
DG 32:1; DG 14:0_18:1 1.64
Ectoine 1.64
TG 48:2; TG 14:0_16:0_18:2 1.64
Ile-Asp 1.63
FA 21:1 1.62
DG 30:3; DG 12:0_18:3 1.62
FA 24:1;O 1.59
Hypotaurine 1.59
CAR 10:0 1.57
Allothreonine 1.57
5-Methyl-2'-deoxycytidine 1.57
Threonine 1.55
PC 30:1; PC 14:0_16:1 1.55
FAHFA 25:0;O; FAHFA 3:0/22:0;O 1.54
PG 35:2; PG 17:0_18:2 1.54
TG 48:4 (2); TG 12:0_16:0_20:4 1.53
LPC 14:0/0:0 1.52
N-Acetyl-S-benzylcysteine 1.51
FA 32:2 1.5
N-Acetylornithine 1.49
Arachidonoyl coenzyme A 1.49
FA 14:0 1.49
Adenine 1.48
FA 21:3 1.47
Citrulline 1.46
TG 40:2; TG 10:0_12:0_18:2 1.43
FA 22:5;O 1.42
NAE 18:2 1.41
N-gamma-Glu-Leu 1.41
Trigonelline 1.41
TG 42:2; TG 10:0_14:0_18:2 1.38
PS 36:4; PS 16:0_20:4 1.37
TG 54:8; TG 14:0_18:2_22:6 1.37
Glu-Phe 1.37
TG 46:4 (2); TG 10:0_16:0_20:4 1.37
FA 23:1 1.37
TG 46:2; TG 12:0_16:0_18:2 1.36
FA 19:1 1.36
DG 32:0; DG 16:0_16:0 1.36
PC 29:0 1.35
TG 60:12; TG 18:2_20:4_22:6 1.35
Daidzein 1.34
TG 58:10 (2); TG 16:0_20:4_22:6 1.34
TG 39:0; TG 12:0_13:0_14:0 1.34
CAR 8:0 1.34
TG 52:6 (1); TG 16:1_18:2_18:3 1.34
TG 45:0; TG 14:0_15:0_16:0 1.34
TG 50:4 (1); TG 14:0_18:2_18:2 1.32
FA 18:0;O 1.32
CAR 22:2 1.31
Genistein 1.31
CAR 4:0 1.31
Aconitic acid, trans- 1.31
TG 52:6 (2); TG 14:0_16:0_22:6 1.3
Stachydrine (proline betaine) 1.3
Val-Val 1.3
PG 34:2 (1); PG 16:0_18:2 1.3
Leu-Thr 1.3
N-Acetylleucine 1.3
4-Pyridoxic acid 1.29
TG 50:6 (1); TG 12:0_18:2_20:4 1.27
Fumaric acid 1.27
TG 37:0; TG 10:0_12:0_15:0 1.27
FA 17:1 1.26
TG 40:1; TG 10:0_12:0_18:1 1.26
Arg-Phe 1.25
TG 46:1; TG 12:0_16:0_18:1 1.24
N-Acetylphenylalanine 1.24
Pyridoxine 1.23
PC 33:0; PC 16:0_17:0 1.22
TG 48:1; TG 14:0_16:0_18:1 1.22
Arg-Pro 1.21
Lysine 1.21
PC 35:1; PC 17:0_18:1 1.21
Isoleucine 1.2
N-Acetylmethionine 1.19
Glutamic acid 1.18
PC 37:4; PC 17:0_20:4 1.18
TG 48:4 (1); TG 12:0_18:2_18:2 1.17
TG 41:0; TG 10:0_15:0_16:0 1.17
Ala-Val 1.16
TG 42:3; TG 10:0_14:0_18:3 1.16
Indolelactic acid 1.16
TG 44:2; TG 10:0_16:0_18:2 1.16
Asparagine 1.15
PC 38:3; PC 18:0_20:3 1.15
FA 22:1 1.15
Glycine 1.15
CAR 20:4 1.14
TG 35:0; TG 10:0_12:0_13:0 1.14
TG 42:1; TG 8:0_16:0_18:1 1.13
FA 26:2 1.12
FA 19:2 1.12
Deoxycytidine 1.12
TG 43:0; TG 10:0_16:0_17:0 1.11
TG 40:3; TG 10:0_12:0_18:3 1.11
Glutaric acid 1.11
DG 30:4; DG 10:0_20:4 1.11
TG 52:8; TG 12:0_20:4_20:4 1.1
Glutathione (oxidized) 1.1
TG 54:2; TG 16:0_18:1_20:1 1.1
Lys-Ile 1.1
N-Acetylglutamic acid 1.1
Pro-Pro 1.1
FA 25:1 1.1
gamma-Glu-Tyr 1.1
TMAO 1.1
FA 20:1 1.1
Ile-Ser 1.09
Methionine sulfoxide 1.08
LPC 24:1/0:0 1.07
FA 17:0 1.07
FA 24:1 1.07
FA 24:2 1.07
Taurine 1.07
PC 40:5; PC 18:0_22:5 1.06
Malonic acid 1.06
Sucrose 1.05
N-Acetylhistidine 1.05
Val-Asn 1.05
TG 38:2; TG 10:0_10:0_18:2 1.05
N-Acetylaspartic acid 1.04
PE O-34:3; PE O-16:1_18:2 1.03
CAR 12:0;O 1.03
Phe-Phe 1.02
CAR 4:1;O2 1.02
PE 37:2; PE 19:0_18:2 1.02
Phenylacetylaspartic acid 1.02
PC 33:1; PC 15:0_18:1 1.02
N-Acetylcarnosine 1.01
PE O-35:2; PE O-17:1_18:1 1.01
PC 35:4; PC 15:0_20:4 1.01
TG 60:10; TG 18:1_20:4_22:5 1.01
Urocanic acid 1.01
TG 54:1; TG 16:0_20:0_18:1 1.0
Ile-Pro-Ile 1.0
LPC 23:0/0:0 0.99
TG 48:3; TG 12:0_18:1_18:2 0.99
N-Acetylalanine 0.99
CAR 10:0;O 0.99
CAR 6:0 0.98
S-Succinylcysteine 0.98
CAR 18:2 0.98
DG 28:1; DG 10:0_18:1 0.98
TG 44:1; TG 12:0_14:0_18:1 0.97
CAR 16:1 (1) 0.97
FAHFA 36:3;O; FAHFA 18:2/18:1;O 0.96
PS 34:2; PS 16:0_18:2 0.96
Acetyl-beta-alanine 0.96
TG 38:4; TG 8:0_10:0_20:4 0.96
Genistein-4'-glucuronide 0.95
FA 18:2 0.94
TG 50:6 (2); TG 12:0_16:0_22:6 0.94
PC 32:1; PC 16:0_16:1 0.94
CAR 18:1 0.93
Thr-Leu 0.92
TG 53:3; TG 17:0_18:1_18:2 0.92
HexCer 34:0;O3 0.92
TG 38:1; TG 10:0_12:0_16:1 0.92
TG 52:4 (2); TG 16:0_16:0_20:4 0.92
FA 23:0 0.92
Gluconic acid 0.91
Cer 36:2;O2; Cer 18:2;O2/18:0 0.91
N,N-Dimethylguanosine 0.91
FA 25:0;O 0.91
PC 41:1 0.9
FA 21:0 0.9
PC 31:0; PC 15:0_16:0 0.9
TG 38:3; TG 8:0_12:0_18:3 0.9
FA 26:1 0.9
TG 50:3; TG 14:0_18:1_18:2 0.9
Ile-Phe 0.9
Trisaccharide 0.9
TG 56:2; TG 16:0_18:1_22:1 0.89
TG 47:4; TG 11:0_18:2_18:2 0.89
Glucuronic acid 0.89
Uric acid 0.89
PC 31:2 0.89
Piperidine 0.89
PC 39:4; PC 19:0_20:4 0.88
FA 20:4;O2 0.88
TG 51:3; TG 15:0_18:1_18:2 0.88
Orotic acid 0.88
LPC 20:5/0:0 (1) 0.88
FA 28:6;O 0.88
LPC 17:0/0:0 0.88
S-Lactoylglutathione 0.87
Sarcosine 0.87
FA 17:2 0.87
2-Hydroxybutyric acid 0.86
CE 18:2 0.86
CAR 3:0 0.86
Leu-Ile 0.86
PS 40:5; PS 18:0_22:5 0.86
2'-Deoxyuridine 5'-monophosphate 0.86
Malic acid 0.86
N-Acetylcitrulline 0.86
FA 22:0;O 0.86
TG 36:2; TG 8:0_10:0_18:2 0.86
TG 50:2; TG 16:0_16:0_18:2 0.86
SM 42:1;O2; SM 18:1;O2/24:0 0.85
N-Acetylserine 0.85
Gly-Glu 0.85
Methionine 0.85
DG 26:2; DG 8:0_18:2 0.85
N-Acetylglucosamine 6-phosphate 0.85
FA 18:1 0.85
FA 28:1 0.85
DG 28:3; DG 10:0_18:3 0.85
CAR 8:0;O 0.85
PC O-34:2 0.84
Cer 40:0;O3; Cer 18:0;O3/22:0 0.84
Glycero-3-phosphocholine 0.84
DG 38:4; DG 18:0_20:4 0.84
FA 19:0 0.83
Glucose 0.83
PC 35:2; PC 17:0_18:2 0.83
TG 48:6 (1); TG 10:0_18:2_20:4 0.83
FA 18:3 0.83
Betaine 0.83
Ala-Ala 0.82
PG 42:10; PG 20:4_22:6 0.82
CAR 6:0;O (2) 0.82
DG 28:2; DG 10:0_18:2 0.81
N-Acetylarginine 0.81
TG 53:6; TG 15:0_18:2_20:4 0.81
alpha-Hydroxyglutaric acid 0.81
Succinic acid 0.8
FA 20:2 0.8
Creatinine 0.8
TG 47:2; TG 14:0_15:0_18:2 0.8
Cytidine 3'-monophosphate 0.79
CAR 14:2;O 0.79
Cer 36:1;O2; Cer 18:1;O2/18:0 0.79
FA 34:1 0.79
LPC 24:2/0:0 0.78
PC 37:2; PC 19:0_18:2 0.78
PS 34:1; PS 16:0_18:1 0.78
CL 70:7; CL 16:1_18:2_18:2_18:2 0.77
CAR 10:1 0.77
PE 40:5; PE 18:0_22:5 0.77
CAR 14:0;O 0.77
FA 22:0 0.76
PE O-36:6; PE O-16:1_20:5 0.76
LPC 19:0/0:0 0.76
Thr-Thr 0.76
FA 18:1;O 0.76
Alanine 0.76
Cer 42:2;O3; Cer 18:0;O3/24:2 0.76
PE O-39:5; PE O-17:1_22:4 0.75
Trimethyllysine 0.75
Cytidine 5'-diphosphocholine 0.75
trans-Crotonobetaine 0.74
PE O-32:1; PE O-16:1_16:0 0.74
Cer 46:0;O4; Cer 20:0;O3/26:0;(OH)2 0.74
TG 36:1; TG 8:0_10:0_18:1 0.74
N-Acetylthreonine 0.73
CAR 16:0 0.73
PC 38:4; PC 18:0_20:4 0.73
Pyridoxal 5-phosphate 0.73
PS 36:2; PS 18:0_18:2 0.73
DG 36:4 (2); DG 16:0_20:4 0.73
PC 40:1 0.73
Pro-Asp 0.72
PE 31:0; PE 15:0_16:0 0.72
gamma-Glu-Cys 0.72
FA 22:2 0.72
Linoleoyl coenzyme A 0.72
Ser-Glu 0.72
Fructose 6-phosphate 0.72
TG 48:6 (2); TG 10:0_16:0_22:6 0.72
GM3 34:1;O2 0.72
TG 41:2; TG 11:0_12:0_18:2 0.72
His-Trp 0.72
Tetrasaccharide 0.71
FA 30:1 0.71
FA 31:1 0.71
Cer 46:1;O2; Cer 20:1;O2/26:0 0.71
SM 41:2;O2; SM 18:2;O2/23:0 0.7
TG 45:3; TG 10:0_17:1_18:2 0.7
Daidzein 4'-sulfate 0.7
SM 40:4;O2 0.7
4-Guanidinobutyric acid 0.7
SM 34:2;O2; SM 18:2;O2/16:0 0.7
PC 44:5 0.7
Lactic acid 0.7
Adenosine 3'-monophosphate 0.7
TG 50:7; TG 10:0_18:2_22:5 0.7
FA 24:0;O 0.69
FA 24:6 0.69
Disaccharide 0.69
TG 56:8 (2); TG 16:0_18:2_22:6 0.69
Nicotinamide 0.69
PE O-36:2; PE O-18:1_18:1 0.69
N-Acetylputrescine 0.69
Leucine 0.69
SM 41:1;O2; SM 18:1;O2/23:0 0.69
Gly-Leu 0.68
TG 51:4; TG 15:0_18:2_18:2 0.68
Cer 34:2;O2; Cer 18:2;O2/16:0 0.68
Dimethylarginine 0.68
PC 42:5; PC 22:1_20:4 0.68
Creatine 0.67
TG 44:4 (1); TG 8:0_18:2_18:2 0.67
Cer 30:1;O2; Cer 18:1;O2/12:0 0.67
Cer 46:1;O3; Cer 20:0;O3/26:1 0.67
TG 46:4 (1); TG 10:0_18:2_18:2 0.66
FA 32:1 0.66
3-Hydroxyisobutyric acid 0.66
SM 42:2;O3 0.66
LPE 22:6 0.66
Xanthurenic acid 0.66
Thiamine 0.65
Arginine 0.65
LPC 22:0/0:0 0.65
TG 46:3; TG 10:0_18:1_18:2 0.65
PC 36:0; PC 18:0_18:0 0.65
N-Acetylglucosaminylasparagine 0.64
TG 58:8; TG 18:1_18:2_22:5 0.64
SM 43:1;O2 0.64
LPE 20:4 0.64
FA 32:0 0.64
SM 39:1;O2 0.64
TG 44:3; TG 8:0_18:1_18:2 0.64
Phenylalanine 0.64
N1-Acetylspermidine 0.64
TG 47:1; TG 15:0_16:0_16:1 0.64
Aspartic acid 0.64
PE 32:1; PE 16:0_16:1 0.63
Serine 0.63
PC 33:2; PC 15:0_18:2 0.63
Val-Ile 0.63
DG 38:5; DG 16:0_22:5 0.63
Isocitric acid 0.63
3'-Dephosphocoenzyme A 0.63
Pro-Ala 0.63
PE 39:4; PE 19:0_20:4 0.62
Cer 38:0;O3; Cer 18:0;O3/20:0 0.62
PC 44:8 0.62
Histidine 0.62
FA 25:0 0.62
NAE 24:0 0.61
Vanillin-4-sulfate 0.61
PC O-36:2 0.61
Biopterin 0.61
PC 40:6; PC 20:2_20:4 0.6
TG 51:1; TG 16:0_17:0_18:1 0.6
FA 20:0 0.6
TG 54:6 (1); TG 18:2_18:2_18:2 0.6
HexCer 40:1;O2 0.6
Cysteine-glutathione disulfide 0.6
DG 40:8; DG 18:2_22:6 0.6
PC 42:1 0.6
Cytidine 5'-diphosphate ethanolamine 0.6
Glutathione (reduced) 0.6
CAR 20:3 0.6
FA 20:5 (1) 0.59
Tyrosine 0.59
TG 56:1; TG 16:0_22:0_18:1 0.59
DG 34:3; DG 16:1_18:2 0.59
Uridine 5'-diphosphoacetylglucosamine 0.59
TG 56:9; TG 18:2_18:3_20:4 0.59
TG 50:8; TG 10:0_18:2_22:6 0.59
TG 47:3; TG 12:0_17:1_18:2 0.59
FA 30:0 0.58
Ala-Leu 0.58
TG 51:2; TG 16:0_17:1_18:1 0.58
DG 38:6; DG 16:0_22:6 0.58
TG 54:5; TG 16:0_18:1_20:4 0.58
PC 36:1; PC 18:0_18:1 0.58
TG 52:3; TG 16:0_18:1_18:2 0.58
FA 20:2;O 0.58
LPS 18:0 0.57
FA 24:0 0.57
TG 50:1; TG 16:0_16:0_18:1 0.57
DG 40:4; DG 18:0_22:4 0.57
NAE 22:0 0.57
LPE 22:4 0.57
Val-Tyr 0.57
TG 54:7; TG 16:0_18:2_20:5 0.56
LPE 17:0 0.56
PE O-37:5; PE O-17:1_20:4 0.56
Val-Phe 0.56
Adenosine 5'-diphosphoribose 0.56
Glu-Gln 0.56
TG 58:10 (1); TG 18:2_20:4_20:4 0.56
Phosphoenolpyruvic acid 0.56
TG 52:4 (1); TG 16:1_18:1_18:2 0.56
Cer 41:1;O2; Cer 18:1;O2/23:0 0.56
3-Indoxyl sulfate 0.56
Urea 0.55
SM 40:1;O2; SM 18:1;O2/22:0 0.55
SM 36:5;O2 0.55
TG 56:8 (1); TG 18:2_18:2_20:4 0.55
TG 52:2; TG 16:0_18:0_18:2 0.54
Riboflavin 0.54
LPE O-16:1 0.54
TG 54:6 (2); TG 16:0_18:2_20:4 0.54
LPC 15:0/0:0 0.54
Ile-Gln 0.54
CAR 14:1 0.54
PC 40:2 0.53
Xanthosine 0.53
PC 38:5; PC 18:1_20:4 0.53
LPC 24:0/0:0 0.53
PC 34:3; PC 16:0_18:3 0.53
FAHFA 24:0;O; FAHFA 4:0/20:0;O 0.53
LPE 20:1 0.53
SM 33:1;O2; SM 17:1;O2/16:0 0.53
SM 36:0;O2 0.52
PC 42:4 (1) 0.52
TG 60:4; TG 18:1_24:1_18:2 0.52
TG 45:1; TG 14:0_15:0_16:1 0.52
TG 37:1; TG 9:0_10:0_18:1 0.52
FA 21:4 0.52
CAR 17:0 0.52
TG 46:5; TG 10:0_18:2_18:3 0.52
PC 42:2; PC 24:0_18:2 0.52
PE 34:3; PE 16:1_18:2 0.51
Cer 43:1;O3 0.51
PC O-38:7 0.51
Uridine diphosphate glucose 0.51
Cytosine 0.51
Cer 46:0;O3; Cer 20:0;O3/26:0 0.51
Val-Gln 0.51
CoQ8 0.51
NAE 16:0 0.51
TG 41:1; TG 11:0_12:0_18:1 0.51
1-Methyladenosine 0.51
Allantoin 0.51
PC 36:4 (2); PC 16:0_20:4 0.51
Cer 40:1;O2; Cer 18:1;O2/22:0 0.5
TG 43:2; TG 10:0_15:0_18:2 0.5
PE 38:3; PE 18:0_20:3 0.5
TG 52:1; TG 16:0_18:0_18:1 0.5
TG 45:2; TG 12:0_15:0_18:2 0.5
CoQ9 0.5
LPC 22:1/0:0 0.5
FA 22:6 0.5
CAR 22:0 0.5
FA 16:0 0.5
DLCL 36:4; DLCL 18:2_18:2 0.5
Tryptamine 0.49
Anserine 0.49
HexCer 34:1;O2; HexCer 18:1;O2/16:0 0.49
TG 43:1; TG 10:0_15:0_18:1 0.49
LPC 18:0/0:0 0.49
PC O-36:4 0.49
Cer 42:1;O2; Cer 18:1;O2/24:0 0.48
Cer 41:0;O3; Cer 18:0;O3/23:0 0.48
gamma-Glu-Gln 0.48
NAOrn 17:0;O 0.48
FAHFA 26:0;O; FAHFA 2:0/24:0;O 0.48
Ile-Tyr 0.48
Cer 38:1;O2; Cer 18:1;O2/20:0 0.48
NAE 18:0 0.48
LPE 19:0 0.47
PC O-37:9 0.47
CE 20:4 0.47
LPC 18:3/0:0 0.47
Cysteine-S-sulfate 0.47
PC 44:4 0.47
Cer 41:2;O2; Cer 18:2;O2/23:0 0.47
CAR 16:2 0.47
LPC 20:0/0:0 0.47
DG 34:1; DG 16:0_18:1 0.47
FAHFA 28:1;O; FAHFA 4:0/24:1;O 0.46
Cer 40:2;O2; Cer 18:2;O2/22:0 0.46
Cer 43:0;O3; Cer 18:0;O3/25:0 0.46
Cer 34:1;O3; Cer 18:1;O2/16:0;(OH)2 0.46
PI 38:6 (2); PI 16:0_22:6 0.46
CAR 4:0;O 0.46
PE 39:6; PE 17:0_22:6 0.46
PEtOH 34:2; PEtOH 16:0_18:2 0.46
Cer 42:1;O3; Cer 18:0;O3/24:1 0.46
Cer 42:3;O2; Cer 18:2;O2/24:1 0.46
Serotonin 0.46
SM 42:2;O2; SM 18:1;O2/24:1 0.46
Cer 42:0;O4; Cer 18:0;O3/24:0;(OH)2 0.46
TG 49:1; TG 15:0_16:0_18:1 0.46
N-epsilon-Methyllysine 0.46
LPC 20:4/0:0 (2) 0.46
FA 20:3 0.45
CAR 18:1;O 0.45
Cer 43:1;O2; Cer 18:1;O2/25:0 0.45
Phenol sulfate 0.45
Gln-Leu 0.45
PI 38:6 (1); PI 18:2_20:4 0.45
Proline 0.45
HexCer 41:1;O2 0.45
Argininosuccinic acid 0.44
LPE 20:2 0.44
Cysteic acid 0.44
PC 31:1 0.44
PG 36:2; PG 18:1_18:1 0.44
Carnosine 0.44
LPC 20:4/0:0 (1) 0.44
Carnitine 0.44
Guanosine 0.43
PE O-38:2 (2); PE O-18:1_20:1 0.43
Glutamine 0.43
DG 40:7; DG 18:2_22:5 0.43
alpha-Aminoadipic acid 0.43
Flavin adenine dinucleotide 0.43
S-Adenosylhomocysteine 0.43
TG 54:3; TG 18:0_18:1_18:2 0.43
PE 36:1; PE 18:0_18:1 0.43
PI 38:4; PI 18:0_20:4 0.42
TG 56:5; TG 16:0_18:1_22:4 0.42
PG 36:1; PG 18:0_18:1 0.42
Cer 44:0;O4; Cer 20:0;O3/24:0;(OH)2 0.42
Pro-hydroxy-Pro 0.42
gamma-Glu-Leu 0.42
LPS 22:0 0.42
PI 32:0; PI 16:0_16:0 0.42
PE O-36:3; PE O-18:2_18:1 0.41
Cer 33:1;O2; Cer 17:1;O2/16:0 0.41
LPC 22:6/0:0 0.41
LPS 23:0 0.41
TG 53:2; TG 17:0_18:1_18:1 0.41
1-Methylhistidine 0.41
N-Acetylgalactosamine 4-sulfate 0.41
TG 58:3; TG 16:0_24:1_18:2 0.41
CE 18:1 0.41
PEtOH 36:2; PEtOH 18:0_18:2 0.41
Thymidine 0.41
Cer 44:1;O2; Cer 20:1;O2/24:0 0.41
5'-S-Methyl-5'-thioadenosine 0.41
Cytidine 5'-monophosphate 0.41
4-Acetamidobutanoic acid 0.4
Tryptophan 0.4
LPC 16:0/0:0 0.4
alpha-Ketoglutaric acid 0.4
PG 36:4 (1); PG 18:2_18:2 0.4
Guanine 0.4
CAR 5:1 0.4
PC 32:0; PC 16:0_16:0 0.4
TG 60:6; TG 18:1_20:1_22:4 0.4
Ala-Ile 0.4
FA 18:4 0.4
FA 16:1 0.39
LPG 16:0 0.39
Cer 44:0;O3; Cer 20:0;O3/24:0 0.39
Inosine 0.39
FA 13:0 0.39
FA 22:5 (1) 0.39
LPE 18:2 0.39
PE O-40:5; PE O-18:1_22:4 0.38
1-Methyluric acid 0.38
Thymine 0.38
PEtOH 34:1; PEtOH 16:0_18:1 0.38
LPE 16:0 0.38
NAOrn 27:1;O 0.38
N,N-Dimethylvaline 0.38
PG 34:1; PG 16:0_18:1 0.38
FA 27:0 0.38
LPE 22:5 0.38
LPC 18:1/0:0 0.38
Cer 38:2;O2; Cer 18:2;O2/20:0 0.38
FA 26:0 0.38
PC 34:0; PC 16:0_18:0 0.38
LPC 20:1/0:0 0.37
Glu-Lys 0.37
Nicotinic acid 0.37
LPG 18:0 0.37
Pseudouridine 0.37
TG 58:5; TG 18:0_18:1_22:4 0.37
PC O-38:4 (1) 0.37
PC 38:6 (2); PC 16:0_22:6 0.37
Cer 42:2;O2; Cer 18:2;O2/24:0 0.37
LPI 16:0 0.37
LPG 18:2 0.36
CL 72:8; CL 18:2_18:2_18:2_18:2 0.36
Uridine 5-monophosphate 0.36
PE 38:1; PE 18:0_20:1 0.36
LPC 22:5/0:0 0.36
LPE 18:1 0.36
LPC 20:2/0:0 0.36
FA 16:0;O 0.36
N6-Threonylcarbamoyladenosine 0.36
PG 44:12; PG 22:6_22:6 0.36
CAR 18:3 0.35
CAR 6:0;O (1) 0.35
TG 58:2; TG 16:0_18:1_24:1 0.35
FA 20:5 (2) 0.35
LPI 18:0 0.35
PC O-38:6 0.35
Oxalic acid 0.35
Glu-Gly-Arg 0.35
PC 37:6; PC 15:0_22:6 0.35
SM 42:3;O2; SM 29:2;O2/13:1 0.35
CL 92:4; CL 18:0_26:0_28:0_20:4 0.35
PE O-38:2 (1); PE O-20:0_18:2 0.35
LPE O-17:1 0.35
Inosine 5'-monophosphate 0.35
CAR 20:2 0.35
beta-Nicotinamide adenine dinucleotide 0.35
PS 37:4; PS 17:0_20:4 0.34
Cytidine 5'-monophospho-N-acetylneuraminic acid 0.34
TG 56:3; TG 20:0_18:1_18:2 0.34
PI 38:3; PI 18:0_20:3 0.34
FA 26:6 0.34
LPE 22:0 0.34
CAR 20:1 0.34
DG 36:5; DG 18:2_18:3 0.33
N-Acetylaspartylglutamic acid 0.33
PC 34:1; PC 16:0_18:1 0.33
FA 24:5 0.33
Adenylosuccinic acid 0.33
FA 15:1 0.33
4-Hydroxyisoleucine 0.33
LPE O-18:2 0.33
SM 38:1;O2 0.33
FA 28:0 0.33
Ser-Leu 0.33
Pentose X-phosphate 0.33
HexCer 42:1;O2 0.33
N-Acetylneuraminate 0.33
LPC 22:4/0:0 0.32
FA 22:5 (2) 0.32
DG 36:3; DG 18:1_18:2 0.32
DG 36:2; DG 18:0_18:2 0.32
LPE 24:0 0.32
Cer 44:2;O2; Cer 18:1;O2/26:1 0.32
Citric acid 0.32
PE 38:2; PE 18:0_20:2 0.32
FA 22:4 0.32
SM 34:0;O2 0.32
LPE 18:0 0.32
N6-Succinyladenosine 0.32
PC 42:4 (2) 0.32
Ser-Ile 0.32
LPC 20:3/0:0 0.31
LPS 17:0 0.31
Guanosine 5'-monophosphate 0.31
FA 20:4 0.31
CAR 2:0 0.31
PE 34:1; PE 16:0_18:1 0.31
PE O-40:7; PE O-18:1_22:6 0.31
PE O-35:5; PE O-15:1_20:4 0.31
PC O-37:10 0.3
PE 40:7;O; PE 20:4_20:3;O 0.3
Kynurenine 0.3
Cer 42:0;O3; Cer 18:0;O3/24:0 0.3
Histamine 0.3
PC O-38:4 (2) 0.29
PG 38:4; PG 18:0_20:4 0.29
PG 34:2 (2); PG 16:0_18:2 0.29
PG 40:8; PG 18:2_22:6 0.29
Choline 0.29
PI 34:2; PI 16:0_18:2 0.29
CE 22:6 0.29
LPC O-16:0 0.29
DG 36:4 (1); DG 18:2_18:2 0.29
FA 16:2 0.29
PI 36:1; PI 18:0_18:1 0.29
Glycocholic acid 0.29
LPC 18:2/0:0 0.28
Cer 36:0;O3; Cer 18:0;O3/18:0 0.28
LPC 20:5/0:0 (2) 0.28
PC 38:2; PC 18:0_20:2 0.28
FA 24:4 0.28
CL 74:7; CL 18:1_18:1_18:2_20:3 0.28
PE O-38:5 (1); PE O-16:1_22:4 0.28
PC O-38:8 0.28
PS 38:3; PS 18:0_20:3 0.28
FA 26:5 0.28
Suberic acid 0.28
N-Acetylhistamine 0.28
CAR 5:0 0.28
PG 38:6 (1); PG 18:2_20:4 0.28
PG 32:0; PG 16:0_16:0 0.28
PI 40:7; PI 18:1_22:6 0.28
FA 22:3 0.27
Cer 34:0;O3; Cer 18:0;O3/16:0 0.27
PG 36:3; PG 18:1_18:2 0.27
PC O-34:0 0.27
PE 38:6 (2); PE 16:0_22:6 0.26
Val-Leu 0.26
LPC 16:1/0:0 0.26
PC 38:6 (1); PC 18:2_20:4 0.26
Ornithine 0.26
CL 70:5; CL 16:0_18:1_18:2_18:2 0.26
Cytidine 0.26
PC O-36:0 0.26
Uridine 0.25
PE 38:5; PE 18:1_20:4 0.25
PE 40:8; PE 18:2_22:6 0.25
Phenylacetaldehyde 0.25
N,N-Dimethylarginine 0.25
CAR 16:1 (2) 0.25
PE 34:2; PE 16:0_18:2 0.25
SM 34:1;O2; SM 18:1;O2/16:0 0.25
gamma-Glu-Glu 0.25
DG 40:6; DG 18:2_22:4 0.25
PE O-36:5; PE O-16:1_20:4 0.25
PC 34:2; PC 16:0_18:2 0.25
Hypoxanthine 0.25
FA 18:0 0.25
Aconitic acid, cis- 0.24
CAR 20:0 0.24
PS 40:1; PS 22:0_18:1 0.24
Cytidine 2',3'-cyclic monophosphoric acid 0.24
PE 38:6 (1); PE 18:2_20:4 0.24
Pyruvic acid 0.24
PE O-38:7 (2); PE O-16:1_22:6 0.24
3-Hydroxybutyric acid 0.24
Xanthine 0.24
PE 36:4; PE 16:0_20:4 0.23
PI 36:2; PI 18:0_18:2 0.23
ST 27:1;O;S 0.23
CL 72:7; CL 18:1_18:2_18:2_18:2 0.23
SM 40:2;O2; SM 18:2;O2/22:0 0.23
LPI 15:0 0.23
PC O-39:10 0.23
PS 38:1; PS 20:0_18:1 0.23
FA 24:3 0.23
Pyridoxal 0.23
PC O-38:5 0.23
Spermidine 0.23
PC 36:4 (1); PC 18:2_18:2 0.22
DG 36:1; DG 18:0_18:1 0.22
PE O-40:8; PE O-18:2_22:6 0.22
TG 55:2; TG 18:0_18:1_19:1 0.22
Pantothenic acid 0.22
TG 57:2; TG 16:0_23:0_18:2 0.22
N-Acetylvaline 0.22
PC O-34:1 0.22
Cer 34:1;O2; Cer 18:1;O2/16:0 0.21
Ophthalmic acid 0.21
Tyramine 0.21
CL 75:8; CL 18:1_18:2_18:2_21:3 0.21
PI 36:4; PI 16:0_20:4 0.21
Flavine mononucleotide 0.21
PC O-37:8 0.21
CL 74:10; CL 18:2_18:2_18:2_20:4 0.21
FA 15:0 0.2
PC O-41:11 0.2
FA 14:1 0.2
PS 36:1; PS 18:0_18:1 0.2
PI 40:5; PI 18:0_22:5 0.2
CAR 18:0 0.19
SM 38:2;O2; SM 21:0;O2/17:2 0.19
LPI 20:4 0.19
PC O-35:8 (2) 0.18
CL 72:6; CL 18:1_18:1_18:2_18:2 0.18
Uridine diphosphate glucuronic acid 0.18
PC 37:8 0.18
PC 36:2; PC 18:1_18:1 0.18
PE 36:2; PE 18:1_18:1 0.18
PE 42:7;O; PE 20:4_22:3;O 0.18
PE O-34:2; PE O-16:1_18:1 0.17
PS 40:6; PS 18:0_22:6 0.17
CAR 15:0 0.17
TG 60:2; TG 16:0_26:0_18:2 0.17
PE 40:4; PE 18:0_22:4 0.17
Glucose 1-phosphate 0.17
PI 38:5; PI 18:1_20:4 0.16
PE O-38:7 (1); PE O-18:3_20:4 0.15
SM 38:4;O2; SM 21:0;O2/17:4 0.15
FAHFA 40:4;O; FAHFA 22:4/18:0;O 0.14
SM 36:1;O2; SM 18:1;O2/18:0 0.14
Adenosine 0.14
PE O-38:5 (2); PE O-18:1_20:4 0.13
SM 36:2;O2; SM 18:1;O2/18:1 0.13
PE 40:6; PE 18:0_22:6 0.13
PE 38:4; PE 18:0_20:4 0.13
NAOrn 19:0;O 0.12
PG 36:4 (2); PG 16:0_20:4 0.12
PC O-35:8 (1) 0.11
1-beta-Arabinofuranosyluracil 5'-monophosphate 0.11
Model performance: Q2 = 0.981, p < 0.001 (based on 1000 permutations, 5-fold cross-validation).
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Explorer data - PCA, PLS-DA

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