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PCA
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HexCer 42:1;O2 2.43
Anserine 2.38
HexCer 40:1;O2 2.26
PS 40:1; PS 22:0_18:1 2.22
PI 36:1; PI 18:0_18:1 2.14
CL 76:12; CL 18:2_18:2_18:2_22:6 2.13
PS 38:1; PS 20:0_18:1 2.13
Adenosine 5'-diphosphoribose 2.11
PE O-38:2 (2); PE O-18:1_20:1 2.09
CL 74:10; CL 18:2_18:2_18:2_20:4 2.09
3'-Dephosphocoenzyme A 2.08
CL 74:7; CL 18:1_18:1_18:2_20:3 2.08
SM 38:2;O2; SM 21:0;O2/17:2 2.08
PE O-38:2 (1); PE O-20:0_18:2 2.04
PC 30:3 2.01
LPC 14:0/0:0 1.99
FA 27:0 1.9
Carnosine 1.88
Cer 40:0;O3; Cer 18:0;O3/22:0 1.88
TG 50:4 (2); TG 14:0_16:0_20:4 1.87
LPG 18:2 1.86
DG 32:1; DG 14:0_18:1 1.86
N-Acetyl-S-benzylcysteine 1.84
Cer 41:2;O2; Cer 18:2;O2/23:0 1.82
PI 30:0; PI 14:0_16:0 1.81
FA 26:5 1.8
2'-Deoxyadenosine 1.79
4-Guanidinobutyric acid 1.79
FA 26:6 1.76
PC 32:4; PC 12:0_20:4 1.75
DG 36:3; DG 18:1_18:2 1.71
PC O-30:1 1.71
PG 38:6 (2); PG 16:0_22:6 1.7
PC 41:1 1.7
PEtOH 36:2; PEtOH 18:0_18:2 1.68
CL 72:6; CL 18:1_18:1_18:2_18:2 1.68
PC 30:1; PC 14:0_16:1 1.67
PE 34:3; PE 16:1_18:2 1.67
HexCer 41:1;O2 1.67
LPI 16:0 1.66
Arachidonoyl coenzyme A 1.65
Cer 43:1;O2; Cer 18:1;O2/25:0 1.65
N-Acetylarginine 1.63
PC 42:1 1.63
Gln-Leu 1.62
PG 38:6 (1); PG 18:2_20:4 1.62
CL 72:7; CL 18:1_18:2_18:2_18:2 1.61
PG 36:3; PG 18:1_18:2 1.61
LPC 22:4/0:0 1.61
Leu-Ile 1.61
Cer 38:0;O3; Cer 18:0;O3/20:0 1.59
SM 39:1;O2 1.59
PEtOH 34:1; PEtOH 16:0_18:1 1.58
LPC 22:5/0:0 1.58
TG 54:7; TG 16:0_18:2_20:5 1.56
PG 40:8; PG 18:2_22:6 1.56
N-Acetylglutamic acid 1.55
PC O-38:6 1.55
N-epsilon-Methyllysine 1.54
Phenylacetylaspartic acid 1.53
CAR 20:0 1.53
PG 38:5; PG 18:1_20:4 1.53
PC 40:1 1.52
Flavine mononucleotide 1.5
Guanine 1.5
PE O-35:2; PE O-17:1_18:1 1.5
PC 44:4 1.5
PE O-39:5; PE O-17:1_22:4 1.49
PG 32:0; PG 16:0_16:0 1.48
Kynurenine 1.48
Cer 41:1;O2; Cer 18:1;O2/23:0 1.47
SM 40:4;O2 1.46
Glucose 1.46
PC 32:2; PC 16:1_16:1 1.45
SM 41:1;O2; SM 18:1;O2/23:0 1.45
S-Lactoylglutathione 1.44
CL 72:8; CL 18:2_18:2_18:2_18:2 1.44
TG 42:1; TG 8:0_16:0_18:1 1.44
PC 28:0; PC 14:0_14:0 1.43
CAR 12:0 1.43
Cer 38:1;O2; Cer 18:1;O2/20:0 1.43
PG 42:10; PG 20:4_22:6 1.43
N-Acetylleucine 1.43
TG 47:3; TG 12:0_17:1_18:2 1.43
Adenosine 1.42
PG 38:4; PG 18:0_20:4 1.42
PC 42:2; PC 24:0_18:2 1.4
Cer 34:1;O3; Cer 18:1;O2/16:0;(OH)2 1.39
TG 40:0; TG 10:0_14:0_16:0 1.38
FA 32:1 1.38
CAR 18:2 1.38
CAR 6:0 1.38
Spermidine 1.37
PE O-36:2; PE O-18:1_18:1 1.37
FA 30:0 1.36
PMeOH 34:1; PMeOH 16:0_18:1 1.36
PG 44:12; PG 22:6_22:6 1.35
CAR 5:1 1.35
TG 41:0; TG 10:0_15:0_16:0 1.35
PG O-34:2; PG O-18:2_16:0 1.35
TG 41:1; TG 11:0_12:0_18:1 1.35
TG 57:2; TG 16:0_23:0_18:2 1.34
SM 38:1;O2 1.34
TG 50:4 (1); TG 14:0_18:2_18:2 1.34
TG 48:3; TG 12:0_18:1_18:2 1.34
PC 34:4; PC 14:0_20:4 1.33
TG 43:1; TG 10:0_15:0_18:1 1.33
N-Acetylmethionine 1.33
FA 25:0;O 1.32
SM 33:1;O2; SM 17:1;O2/16:0 1.32
TG O-52:2; TG O-18:1_16:0_18:1 1.32
FA 22:6;O 1.31
TG 43:2; TG 10:0_15:0_18:2 1.31
Argininosuccinic acid 1.31
Ala-Val 1.3
TG 51:4; TG 15:0_18:2_18:2 1.3
PE O-40:5; PE O-18:1_22:4 1.3
Tryptamine 1.3
CL 70:5; CL 16:0_18:1_18:2_18:2 1.29
SM 38:4;O2; SM 21:0;O2/17:4 1.29
N-Acetylhistidine 1.28
PG 36:4 (2); PG 16:0_20:4 1.28
Aconitic acid, trans- 1.28
FA 30:1 1.28
Pentose X-phosphate 1.28
TG 58:5; TG 18:0_18:1_22:4 1.28
Acetyl-beta-alanine 1.27
N-Acetylaspartic acid 1.27
SM 36:0;O2 1.27
PE O-36:3; PE O-18:2_18:1 1.27
Fumaric acid 1.27
gamma-Glu-Glu 1.27
PI 36:2; PI 18:0_18:2 1.26
Arg-Pro 1.26
PC 36:6; PC 14:0_22:6 1.26
TG 51:3; TG 15:0_18:1_18:2 1.26
Cer 44:0;O3; Cer 20:0;O3/24:0 1.26
4-Pyridoxic acid 1.26
PS 36:2; PS 18:0_18:2 1.26
TG 42:2; TG 10:0_14:0_18:2 1.26
PE O-37:5; PE O-17:1_20:4 1.26
Glutamic acid 1.25
CAR 4:1;O2 1.25
PS 40:6; PS 18:0_22:6 1.25
Cer 42:0;O3; Cer 18:0;O3/24:0 1.25
PC 34:3; PC 16:0_18:3 1.24
TG 58:3; TG 16:0_24:1_18:2 1.24
FA 22:0;O 1.24
Cer 38:2;O2; Cer 18:2;O2/20:0 1.24
Val-Leu 1.24
Ser-Leu 1.23
TG 45:2; TG 12:0_15:0_18:2 1.23
SM 36:1;O2; SM 18:1;O2/18:0 1.23
FA 25:1 1.23
Indolelactic acid 1.23
FAHFA 36:3;O; FAHFA 18:2/18:1;O 1.23
TG 53:2; TG 17:0_18:1_18:1 1.23
PS 37:4; PS 17:0_20:4 1.23
TG 45:3; TG 10:0_17:1_18:2 1.22
SM 41:2;O2; SM 18:2;O2/23:0 1.22
DG 36:4 (1); DG 18:2_18:2 1.22
Cer 44:2;O2; Cer 18:1;O2/26:1 1.22
SM 36:2;O2; SM 18:1;O2/18:1 1.21
LPC 16:1/0:0 1.21
PE 38:1; PE 18:0_20:1 1.21
CoQ8 1.21
FA 20:4 1.21
Xanthine 1.21
TG 45:1; TG 14:0_15:0_16:1 1.21
CAR 6:0;O (1) 1.2
FA 34:1 1.2
Glutamine 1.2
FA 32:0 1.2
gamma-Glu-Tyr 1.2
FA 32:2 1.2
FA 23:1 1.19
TG 48:4 (2); TG 12:0_16:0_20:4 1.19
TG 32:0; TG 8:0_10:0_14:0 1.19
PE 39:6; PE 17:0_22:6 1.19
PE O-40:7; PE O-18:1_22:6 1.18
Cer 34:0;O3; Cer 18:0;O3/16:0 1.18
Guanosine 1.18
TG 44:2; TG 10:0_16:0_18:2 1.18
LPS 17:0 1.18
PE O-38:5 (2); PE O-18:1_20:4 1.18
FA 34:2 1.17
N-Acetylaspartylglutamic acid 1.17
Phosphoenolpyruvic acid 1.17
TG 53:3; TG 17:0_18:1_18:2 1.16
Flavin adenine dinucleotide 1.16
N-Acetylcitrulline 1.16
FA 24:3 1.16
TG 48:4 (1); TG 12:0_18:2_18:2 1.16
4-Hydroxyisoleucine 1.16
LPC 15:0/0:0 1.16
PC 31:1 1.15
TG 55:2; TG 18:0_18:1_19:1 1.15
Pro-Asp 1.14
CAR 10:0 1.14
Cysteine-glutathione disulfide 1.14
Isocitric acid 1.14
PE O-32:1; PE O-16:1_16:0 1.14
Adenylosuccinic acid 1.13
CAR 10:0;O 1.13
TG 47:2; TG 14:0_15:0_18:2 1.13
Inosine 1.13
Acetylcholine 1.13
Hypotaurine 1.13
LPC 20:5/0:0 (2) 1.12
DG 30:0; DG 14:0_16:0 1.12
PE O-38:5 (1); PE O-16:1_22:4 1.12
Glu-Gln 1.12
PI 38:6 (2); PI 16:0_22:6 1.11
Xanthosine 1.11
LPE 18:2 1.11
Cer 43:0;O3; Cer 18:0;O3/25:0 1.1
TG 50:3; TG 14:0_18:1_18:2 1.1
Nicotinamide 1.09
HexCer 34:0;O3 1.09
PE 40:6; PE 18:0_22:6 1.09
S-Succinylcysteine 1.09
FA 31:1 1.09
FAHFA 27:0;O; FAHFA 3:0/24:0;O 1.09
LPI 15:0 1.09
Glutaric acid 1.08
FA 20:4;O2 1.08
TG 51:2; TG 16:0_17:1_18:1 1.07
Hippuric acid 1.07
Cer 44:1;O2; Cer 20:1;O2/24:0 1.07
PE 40:4; PE 18:0_22:4 1.06
Glycero-3-phosphocholine 1.05
TG 48:1; TG 14:0_16:0_18:1 1.05
N,N-Dimethylguanosine 1.04
gamma-Glu-Gln 1.04
PI 32:0; PI 16:0_16:0 1.04
Cytidine 5'-monophospho-N-acetylneuraminic acid 1.04
TG 48:2; TG 14:0_16:0_18:2 1.04
PC 32:1; PC 16:0_16:1 1.04
Ala-Leu 1.04
Cer 36:0;O3; Cer 18:0;O3/18:0 1.04
N6-Succinyladenosine 1.03
Cer 36:1;O2; Cer 18:1;O2/18:0 1.03
Adenosine 3'-monophosphate 1.03
Fructose 6-phosphate 1.03
FA 24:5 1.03
CAR 4:0;O 1.03
Val-Glu 1.03
N,N-Dimethylarginine 1.03
alpha-Aminoadipic acid 1.03
N-Acetylputrescine 1.02
N-Acetylneuraminate 1.02
LPI 20:4 1.02
TG 49:1; TG 15:0_16:0_18:1 1.02
CAR 8:0;O 1.02
Pyridoxal 5-phosphate 1.01
Gluconic acid 1.01
PC O-36:0 1.01
TG 47:1; TG 15:0_16:0_16:1 1.0
N-Acetylphenylalanine 1.0
PE 42:7;O; PE 20:4_22:3;O 1.0
TG 46:1; TG 12:0_16:0_18:1 1.0
CAR 14:1 1.0
Val-Gln 0.99
FA 22:3 0.99
5-Methyl-2'-deoxycytidine 0.99
Cer 36:2;O2; Cer 18:2;O2/18:0 0.99
TG 44:1; TG 12:0_14:0_18:1 0.98
Glucose 1-phosphate 0.98
3-Indoxyl sulfate 0.98
Ergothioneine 0.97
Malic acid 0.97
CAR 2:0 0.97
PC 39:4; PC 19:0_20:4 0.96
Arginine 0.96
N-gamma-Glu-Leu 0.96
TG 54:1; TG 16:0_20:0_18:1 0.96
PE 34:4; PE 14:0_20:4 0.96
Citric acid 0.96
PI 34:2; PI 16:0_18:2 0.96
TG 50:2; TG 16:0_16:0_18:2 0.96
FA 16:0;O 0.95
CAR 14:0;O 0.95
FA 26:1 0.95
TG 56:1; TG 16:0_22:0_18:1 0.95
Cytidine 2',3'-cyclic monophosphoric acid 0.95
TG 56:2; TG 16:0_18:1_22:1 0.95
Aconitic acid, cis- 0.95
Serine 0.95
TG 46:2; TG 12:0_16:0_18:2 0.95
PC 36:0; PC 18:0_18:0 0.95
Val-Asp 0.94
TG 51:1; TG 16:0_17:0_18:1 0.94
Inosine 5'-monophosphate 0.94
TG 43:0; TG 10:0_16:0_17:0 0.94
PC 29:0 0.93
PI 36:4; PI 16:0_20:4 0.93
PE O-36:5; PE O-16:1_20:4 0.93
CAR 6:0;O (2) 0.92
PS 36:1; PS 18:0_18:1 0.92
PC 30:0; PC 14:0_16:0 0.92
PC O-38:8 0.92
CAR 8:0 0.92
Cer 42:1;O3; Cer 18:0;O3/24:1 0.91
Vanillin-4-sulfate 0.91
Asparagine 0.91
Aspartic acid 0.91
Cer 40:1;O2; Cer 18:1;O2/22:0 0.9
alpha-Ketoglutaric acid 0.9
Glu-Gly-Arg 0.9
FA 25:0 0.9
FA 20:4;O 0.89
PE O-38:7 (2); PE O-16:1_22:6 0.89
PG 34:2 (1); PG 16:0_18:2 0.89
TG 46:0; TG 12:0_16:0_18:0 0.89
TMAO 0.88
Uridine diphosphate glucose 0.88
PC 42:4 (2) 0.88
TG 58:2; TG 16:0_18:1_24:1 0.88
Hypoxanthine 0.88
Glutathione (oxidized) 0.88
Ile-Asp 0.88
PC 42:5; PC 22:1_20:4 0.88
N-Acetylserine 0.88
Val-Ile 0.87
PE 36:2; PE 18:1_18:1 0.87
FA 22:5;O 0.87
trans-Crotonobetaine 0.87
LPC 24:0/0:0 0.87
SM 32:1;O2; SM 16:1;O2/16:0 0.86
PMeOH 34:2; PMeOH 16:0_18:2 0.86
PC O-34:2 0.86
5'-S-Methyl-5'-thioadenosine 0.86
TG 45:0; TG 14:0_15:0_16:0 0.86
LPE 22:4 0.86
TG 60:2; TG 16:0_26:0_18:2 0.85
Glu-Lys 0.85
FA 24:0;O 0.85
Uridine 5'-diphosphoacetylglucosamine 0.85
NAE 18:2 0.85
PC 30:2; PC 12:0_18:2 0.85
Guanosine 5'-monophosphate 0.85
DG 36:2; DG 18:0_18:2 0.85
2'-Deoxyuridine 5'-monophosphate 0.85
S-Adenosylhomocysteine 0.84
N-Acetylthreonine 0.84
PE 38:2; PE 18:0_20:2 0.84
Serotonin 0.83
PG 34:1; PG 16:0_18:1 0.82
PC O-38:7 0.82
FA 22:2 0.82
Lactic acid 0.82
Pro-Pro 0.82
Carnitine 0.82
FA 21:0 0.81
PE O-38:7 (1); PE O-18:3_20:4 0.81
TG 44:0; TG 10:0_16:0_18:0 0.81
TG 52:3; TG 16:0_18:1_18:2 0.81
1-Methyluric acid 0.8
CAR 14:2;O 0.8
PE 36:6; PE 14:0_22:6 0.8
PG 30:0; PG 14:0_16:0 0.8
CAR 20:1 0.8
Adenine 0.8
PC O-34:0 0.8
PC O-38:5 0.8
Uridine diphosphate glucuronic acid 0.8
N-Acetylglucosamine 6-phosphate 0.79
TG 46:3; TG 10:0_18:1_18:2 0.79
TG 52:2; TG 16:0_18:0_18:2 0.79
N-Acetylcarnosine 0.79
HexCer 36:1;O2 0.79
PE 40:7;O; PE 20:4_20:3;O 0.78
PEtOH 34:2; PEtOH 16:0_18:2 0.78
1-beta-Arabinofuranosyluracil 5'-monophosphate 0.78
CAR 12:0;O 0.78
TG 50:1; TG 16:0_16:0_18:1 0.78
PC 34:0; PC 16:0_18:0 0.78
CAR 10:1 0.77
TG 54:2; TG 16:0_18:1_20:1 0.77
FA 20:0 0.77
Deoxycytidine 0.77
PC 40:6; PC 20:2_20:4 0.77
TG 42:0; TG 12:0_14:0_16:0 0.77
PE 38:4; PE 18:0_20:4 0.77
Choline 0.77
TG 52:1; TG 16:0_18:0_18:1 0.77
PG 36:2; PG 18:1_18:1 0.76
PC 36:4 (1); PC 18:2_18:2 0.76
PE O-34:3; PE O-16:1_18:2 0.76
Disaccharide 0.76
PI 38:4; PI 18:0_20:4 0.76
Tetrasaccharide 0.75
gamma-Glu-Cys 0.75
DG 32:0; DG 16:0_16:0 0.75
Thiamine 0.75
LPI 18:0 0.75
FA 22:5 (1) 0.74
LPC 20:1/0:0 0.74
PI 38:6 (1); PI 18:2_20:4 0.74
FA 18:1;O 0.74
PC O-37:8 0.74
PE O-34:2; PE O-16:1_18:1 0.74
LPC 18:2/0:0 0.74
FA 18:4 0.74
PC 33:2; PC 15:0_18:2 0.74
FA 18:0;O 0.74
TG 52:4 (1); TG 16:1_18:1_18:2 0.74
Cytidine 5'-diphosphate ethanolamine 0.73
N-Acetylornithine 0.73
TG 54:3; TG 18:0_18:1_18:2 0.73
PE O-40:8; PE O-18:2_22:6 0.73
Cer 33:1;O2; Cer 17:1;O2/16:0 0.73
FA 24:2 0.72
LPE O-16:1 0.72
Dimethylarginine 0.72
FA 28:0 0.72
PE 38:3; PE 18:0_20:3 0.72
PS 38:3; PS 18:0_20:3 0.72
TG 56:3; TG 20:0_18:1_18:2 0.72
PC 40:2 0.7
Creatine 0.7
Tyrosine 0.7
PE 38:6 (1); PE 18:2_20:4 0.7
LPE 18:0 0.7
FA 20:5 (2) 0.69
FA 23:0 0.69
Cytidine 5'-diphosphocholine 0.69
LPE 22:6 0.68
Glutathione (reduced) 0.68
PC 33:0; PC 16:0_17:0 0.68
Ectoine 0.67
LPE 20:4 0.67
TG 54:6 (1); TG 18:2_18:2_18:2 0.67
FA 22:6 0.67
PC O-34:1 0.67
TG 48:0; TG 15:0_16:0_17:0 0.66
LPG 16:0 0.66
Alanine 0.66
DG 34:1; DG 16:0_18:1 0.66
N1-Acetylspermidine 0.65
TG 58:10 (2); TG 16:0_20:4_22:6 0.65
Citrulline 0.65
PE 40:8; PE 18:2_22:6 0.65
PC 34:2; PC 16:0_18:2 0.65
DG 40:7; DG 18:2_22:5 0.65
PE 38:5; PE 18:1_20:4 0.65
5-Aminovaleric acid betaine 0.65
FA 22:0 0.65
NAOrn 17:0;O 0.65
CAR 4:0 0.64
N-Acetylalanine 0.64
Glucuronic acid 0.64
PS 34:1; PS 16:0_18:1 0.63
Ser-Glu 0.63
Cer 42:1;O2; Cer 18:1;O2/24:0 0.63
Pro-Ala 0.62
3-Hydroxybutyric acid 0.62
CL 75:8; CL 18:1_18:2_18:2_21:3 0.62
Succinic acid 0.62
Uridine 0.62
PE O-35:5; PE O-15:1_20:4 0.61
FA 20:5 (1) 0.61
TG 54:6 (2); TG 16:0_18:2_20:4 0.61
PE 38:6 (2); PE 16:0_22:6 0.6
SM 40:2;O2; SM 18:2;O2/22:0 0.6
Pantothenic acid 0.6
PG 34:2 (2); PG 16:0_18:2 0.6
PC 37:8 0.6
LPE 17:0 0.6
NAE 16:0 0.6
PS 40:5; PS 18:0_22:5 0.59
N,N-Dimethylvaline 0.59
SM 40:1;O2; SM 18:1;O2/22:0 0.59
Glycine 0.59
N6-Threonylcarbamoyladenosine 0.59
PE 39:4; PE 19:0_20:4 0.59
N-Acetylgalactosamine 4-sulfate 0.59
PC O-30:0 0.58
FA 26:0 0.58
N-Acetylvaline 0.58
Pyruvic acid 0.58
1-Methyladenosine 0.58
FA 19:0 0.58
PE 36:4; PE 16:0_20:4 0.58
LPC 20:4/0:0 (1) 0.57
Tryptophan 0.57
LPC 17:0/0:0 0.57
Lysine 0.57
Pipecolic acid 0.57
FAHFA 40:4;O; FAHFA 22:4/18:0;O 0.57
PE 36:1; PE 18:0_18:1 0.57
TG 38:0; TG 10:0_12:0_16:0 0.57
Ala-Ala 0.57
4-Acetamidobutanoic acid 0.57
TG 56:5; TG 16:0_18:1_22:4 0.57
PS 34:2; PS 16:0_18:2 0.57
PC 37:4; PC 17:0_20:4 0.56
CAR 16:1 (1) 0.56
NAOrn 27:1;O 0.56
TG 36:0; TG 10:0_12:0_14:0 0.56
Cytidine 5'-monophosphate 0.56
CAR 5:0 0.56
PE O-36:6; PE O-16:1_20:5 0.56
alpha-Hydroxyglutaric acid 0.55
PE 32:1; PE 16:0_16:1 0.55
SM 42:1;O2; SM 18:1;O2/24:0 0.55
NAE 18:0 0.55
Trigonelline 0.55
FA 17:1 0.55
TG 52:4 (2); TG 16:0_16:0_20:4 0.55
2-Hydroxybutyric acid 0.55
CAR 3:0 0.54
FA 18:3 0.54
Gly-Leu 0.54
PC O-41:11 0.54
Phenol sulfate 0.54
Allantoin 0.53
FA 24:0 0.53
Malonic acid 0.53
FA 22:4 0.53
LPC 22:6/0:0 0.53
PC 38:2; PC 18:0_20:2 0.53
FA 22:1 0.53
LPE 18:1 0.53
Histidine 0.53
Urea 0.52
Pseudouridine 0.52
PC 35:1; PC 17:0_18:1 0.52
gamma-Glu-Leu 0.52
PC 44:8 0.52
Methionine 0.52
Uridine 5-monophosphate 0.52
Cer 34:1;O2; Cer 18:1;O2/16:0 0.52
PC 42:4 (1) 0.52
Cer 40:2;O2; Cer 18:2;O2/22:0 0.51
Xanthosine 5'-monophosphate 0.51
CAR 18:1 0.51
FA 16:1 0.5
Threonine 0.5
PC 40:5; PC 18:0_22:5 0.5
PC 35:2; PC 17:0_18:2 0.5
FA 16:0 0.5
PI 38:5; PI 18:1_20:4 0.5
Cytosine 0.5
NAOrn 19:0;O 0.49
FA 24:6 0.49
TG 60:10; TG 18:1_20:4_22:5 0.49
beta-Nicotinamide adenine dinucleotide 0.49
DG 36:1; DG 18:0_18:1 0.49
LPS 18:0 0.49
CAR 16:0 0.49
Taurine 0.49
LPC 18:1/0:0 0.49
Thymidine 0.48
FA 17:0 0.48
PC 36:1; PC 18:0_18:1 0.48
PC 36:2; PC 18:1_18:1 0.47
PC O-36:2 0.47
3-Hydroxyisobutyric acid 0.47
PC 37:2; PC 19:0_18:2 0.47
TG 34:0; TG 10:0_12:0_12:0 0.47
Sucrose 0.46
Orotic acid 0.46
Ile-Ser 0.46
TG 54:5; TG 16:0_18:1_20:4 0.46
Methionine sulfoxide 0.46
FA 18:1 0.45
SM 34:0;O2 0.45
FA 18:0 0.45
Gly-Glu 0.45
Cer 42:2;O2; Cer 18:2;O2/24:0 0.45
Piperidine 0.44
SM 28:1;O2 0.44
FA 14:0 0.44
PC 38:6 (2); PC 16:0_22:6 0.44
Ser-Ile 0.44
Trimethyllysine 0.44
Leucine 0.43
PC 38:4; PC 18:0_20:4 0.43
PC 35:4; PC 15:0_20:4 0.43
PC 33:1; PC 15:0_18:1 0.42
FA 20:3 0.42
ST 27:1;O;S 0.42
1-Methylhistidine 0.42
CAR 14:0 0.42
FA 28:6;O 0.42
Creatinine 0.42
Proline 0.41
FA 24:4 0.41
PE 40:5; PE 18:0_22:5 0.41
LPE 22:5 0.41
PC O-35:8 (1) 0.41
PS 36:4; PS 16:0_20:4 0.41
HexCer 34:1;O2; HexCer 18:1;O2/16:0 0.4
FA 13:0 0.4
SM 34:1;O2; SM 18:1;O2/16:0 0.4
FA 16:2 0.39
FA 19:1 0.39
CAR 20:4 0.39
FA 15:1 0.39
PG 32:1; PG 16:0_16:1 0.39
CL 70:7; CL 16:1_18:2_18:2_18:2 0.38
PI 38:3; PI 18:0_20:3 0.38
PC 38:3; PC 18:0_20:3 0.38
PC 32:0; PC 16:0_16:0 0.38
PI 40:5; PI 18:0_22:5 0.38
PC O-35:8 (2) 0.38
PC 38:5; PC 18:1_20:4 0.38
FA 24:1 0.38
PC O-37:9 0.38
DG 38:5; DG 16:0_22:5 0.38
Ophthalmic acid 0.37
PC O-38:4 (2) 0.37
TG 58:8; TG 18:1_18:2_22:5 0.37
PC O-37:10 0.37
FA 22:5 (2) 0.36
PE 34:2; PE 16:0_18:2 0.36
LPC 16:0/0:0 0.36
SM 42:2;O2; SM 18:1;O2/24:1 0.36
Isoleucine 0.36
Cysteine-S-sulfate 0.36
LPE O-18:2 0.36
Phenylalanine 0.35
Thymine 0.35
Sarcosine 0.35
FA 19:2 0.35
CoQ9 0.35
PC 34:1; PC 16:0_18:1 0.35
LPE 16:0 0.35
Stachydrine (proline betaine) 0.35
FA 21:3 0.35
LPC 18:0/0:0 0.34
DG 38:6; DG 16:0_22:6 0.34
FA 20:1 0.34
Allothreonine 0.34
SM 34:2;O2; SM 18:2;O2/16:0 0.34
FA 18:2 0.34
CAR 18:0 0.34
Urocanic acid 0.34
FA 15:0 0.34
Cysteic acid 0.34
Cer 34:2;O2; Cer 18:2;O2/16:0 0.33
CE 20:4 0.33
CE 22:6 0.33
TG 39:0; TG 12:0_13:0_14:0 0.33
Cytidine 0.33
PC O-38:4 (1) 0.32
PC 31:0; PC 15:0_16:0 0.32
PC 37:6; PC 15:0_22:6 0.32
TG 38:2; TG 10:0_10:0_18:2 0.32
PC O-39:10 0.31
PC 36:4 (2); PC 16:0_20:4 0.31
Cer 42:3;O2; Cer 18:2;O2/24:1 0.31
Ornithine 0.3
PC O-36:4 0.3
PI 40:7; PI 18:1_22:6 0.3
SM 42:3;O2; SM 29:2;O2/13:1 0.29
Cer 30:1;O2; Cer 18:1;O2/12:0 0.29
Tyramine 0.29
PG 36:1; PG 18:0_18:1 0.28
PC 38:6 (1); PC 18:2_20:4 0.28
FA 14:1 0.28
Ala-Ile 0.28
TG 56:8 (2); TG 16:0_18:2_22:6 0.28
N-Acetylglucosaminylasparagine 0.27
TG 46:5; TG 10:0_18:2_18:3 0.26
N-Acetylhistamine 0.26
TG 40:2; TG 10:0_12:0_18:2 0.26
Nicotinic acid 0.25
Betaine 0.24
DG 36:4 (2); DG 16:0_20:4 0.23
DG 38:4; DG 18:0_20:4 0.22
Phenylacetaldehyde 0.22
PE 34:1; PE 16:0_18:1 0.22
Cer 32:1;O2; Cer 18:1;O2/14:0 0.22
Pyridoxal 0.22
Oxalic acid 0.21
DG 40:4; DG 18:0_22:4 0.2
Thr-Thr 0.2
Suberic acid 0.18
TG 40:3; TG 10:0_12:0_18:3 0.16
FA 20:2 0.15
Model performance: Q2 = 0.998, p < 0.001 (based on 1000 permutations, 5-fold cross-validation).
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Explorer data - PCA, PLS-DA

_explorer.xlsx
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