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Analyte VIP score
NAGly 31:1;O2; NAGly 16:0;O(FA 15:0) 4.1
TG 60:11; TG 18:2_20:4_22:5 4.06
PG 30:0; PG 14:0_16:0 4.03
DG 34:4; DG 14:0_20:4 4.0
TG 35:0; TG 10:0_12:0_13:0 3.86
DG 30:0; DG 14:0_16:0 3.85
DG 32:2; DG 14:0_18:2 3.83
TG 41:2; TG 11:0_12:0_18:2 3.75
PG O-34:2; PG O-18:2_16:0 3.75
TG 54:8; TG 14:0_18:2_22:6 3.69
DG 30:4; DG 10:0_20:4 3.58
PC 24:0 3.58
Cer 43:0;O3; Cer 18:0;O3/25:0 3.52
TG 42:4; TG 10:0_12:0_20:4 3.51
Cer 44:0;O3; Cer 20:0;O3/24:0 3.47
CAR 6:0;O (1) 3.47
Phenylacetylaspartic acid 3.46
Cer 36:0;O3; Cer 18:0;O3/18:0 3.44
DG 38:6; DG 16:0_22:6 3.43
TG 60:10; TG 18:1_20:4_22:5 3.41
Glycocholic acid 3.41
TG 60:12; TG 18:2_20:4_22:6 3.41
Phe-Phe 3.4
TG 50:8; TG 10:0_18:2_22:6 3.38
FA 21:4 3.26
PC O-30:1 2.85
CAR 12:0 2.82
PC 30:2; PC 12:0_18:2 2.72
CAR 10:0 2.72
PC 30:3 2.58
CAR 14:0 2.39
PC 28:0; PC 14:0_14:0 2.39
CAR 8:0 2.33
PC 32:4; PC 12:0_20:4 2.32
Pipecolic acid 2.2
Histamine 2.2
CAR 10:1 2.18
PC O-30:0 2.07
SM 28:1;O2 1.97
DG 28:2; DG 10:0_18:2 1.97
Hippuric acid 1.88
CAR 6:0 1.88
SM 32:1;O2; SM 16:1;O2/16:0 1.84
DG 32:1; DG 14:0_18:1 1.82
Citrulline 1.8
PMeOH 34:1; PMeOH 16:0_18:1 1.79
PG 32:1; PG 16:0_16:1 1.79
PC 30:0; PC 14:0_16:0 1.77
3'-Dephosphocoenzyme A 1.75
PI 30:0; PI 14:0_16:0 1.73
CAR 10:0;O 1.73
FA 21:3 1.73
CAR 12:0;O 1.72
PC 34:4; PC 14:0_20:4 1.71
PC 32:2; PC 16:1_16:1 1.7
LPC 14:0/0:0 1.7
Glutathione (reduced) 1.66
LPE 24:0 1.63
PMeOH 34:2; PMeOH 16:0_18:2 1.62
TG 30:0; TG 8:0_10:0_12:0 1.61
gamma-Glu-Cys 1.61
Arg-Phe 1.56
CAR 22:0 1.55
His-Trp 1.55
Ala-Leu 1.54
LPC 18:3/0:0 1.54
Cer 32:1;O2; Cer 18:1;O2/14:0 1.54
LPE 20:2 1.51
NAE 18:2 1.5
SM 36:2;O2; SM 18:1;O2/18:1 1.47
TG O-50:2; TG O-16:0_16:0_18:2 1.47
FA 20:4;O2 1.46
PC 29:0 1.45
SM 36:5;O2 1.45
CAR 14:1 1.45
PC 30:1; PC 14:0_16:1 1.44
PC 34:2;O; PC 16:0_18:2;O 1.42
N-Acetylcitrulline 1.41
CoQ8 1.4
SM 34:2;O2; SM 18:2;O2/16:0 1.4
CAR 14:0;O 1.37
LPC 23:0/0:0 1.35
LPC 24:0/0:0 1.34
FA 14:0 1.33
TG 36:2; TG 8:0_10:0_18:2 1.32
Cer 41:0;O3; Cer 18:0;O3/23:0 1.32
PC 36:6; PC 14:0_22:6 1.32
TG 36:0; TG 10:0_12:0_14:0 1.3
TG 40:1; TG 10:0_12:0_18:1 1.3
Allothreonine 1.29
HexCer 34:0;O3 1.28
N-Acetylornithine 1.28
Adenosine 1.28
TG 40:0; TG 10:0_14:0_16:0 1.28
N-Acetylhistamine 1.27
Ectoine 1.27
TG 34:0; TG 10:0_12:0_12:0 1.27
FA 34:1 1.24
TG 38:0; TG 10:0_12:0_16:0 1.24
3-Hydroxybutyric acid 1.22
PC 31:1 1.21
PE 39:4; PE 19:0_20:4 1.19
TG 32:0; TG 8:0_10:0_14:0 1.18
LPE 22:0 1.17
Threonine 1.16
Glutaric acid 1.15
TG 38:1; TG 10:0_12:0_16:1 1.15
Cer 34:2;O2; Cer 18:2;O2/16:0 1.13
LPG 18:2 1.13
5-Aminovaleric acid betaine 1.12
CAR 16:1 (2) 1.1
Cysteine-glutathione disulfide 1.1
Hypotaurine 1.1
Arg-Pro 1.1
LPC 20:2/0:0 1.09
TG 42:2; TG 10:0_14:0_18:2 1.08
Pro-hydroxy-Pro 1.08
PC O-36:4 1.08
PC 33:1; PC 15:0_18:1 1.08
Guanine 1.07
Cer 36:2;O2; Cer 18:2;O2/18:0 1.06
Cysteine-S-sulfate 1.06
Cer 34:0;O3; Cer 18:0;O3/16:0 1.05
Ornithine 1.04
PC 34:3; PC 16:0_18:3 1.04
LPC 22:4/0:0 1.04
TG 42:0; TG 12:0_14:0_16:0 1.04
CAR 2:0 1.04
PI 40:7; PI 18:1_22:6 1.03
FA 19:2 1.03
TG 42:3; TG 10:0_14:0_18:3 1.03
SM 38:2;O2; SM 21:0;O2/17:2 1.02
LPE 22:5 1.02
Cytidine 3'-monophosphate 1.02
Pantothenic acid 1.02
CAR 16:0 1.01
Pseudouridine 1.01
Glu-Phe 1.01
Aspartic acid 1.01
PE 31:0; PE 15:0_16:0 1.01
PE 32:1; PE 16:0_16:1 1.0
TG 54:6 (1); TG 18:2_18:2_18:2 1.0
LPC 22:0/0:0 0.99
LPC 17:0/0:0 0.99
PC 33:0; PC 16:0_17:0 0.98
TG 44:4 (2); TG 12:0_14:0_18:4 0.98
PG 34:2 (1); PG 16:0_18:2 0.98
TG 36:1; TG 8:0_10:0_18:1 0.98
LPC 16:1/0:0 0.98
alpha-Hydroxyglutaric acid 0.98
Guanosine 0.97
Pyridoxal 0.97
LPC 19:0/0:0 0.97
Val-Asn 0.97
PG 35:2; PG 17:0_18:2 0.97
PC 40:6; PC 20:2_20:4 0.97
4-Acetamidobutanoic acid 0.97
PE 38:2; PE 18:0_20:2 0.97
CAR 8:0;O 0.97
TG 42:1; TG 8:0_16:0_18:1 0.96
Cysteic acid 0.96
TG 44:0; TG 10:0_16:0_18:0 0.96
TG 40:2; TG 10:0_12:0_18:2 0.96
N-Acetylvaline 0.96
Lys-Ile 0.96
LPS 17:0 0.95
TG 37:0; TG 10:0_12:0_15:0 0.95
FA 20:2 0.95
TG 41:0; TG 10:0_15:0_16:0 0.95
N-epsilon-Methyllysine 0.94
PC 37:6; PC 15:0_22:6 0.94
CAR 16:1 (1) 0.94
PE 34:3; PE 16:1_18:2 0.94
PG 44:12; PG 22:6_22:6 0.94
PE 39:6; PE 17:0_22:6 0.93
CAR 18:1;O 0.93
N-Acetylaspartylglutamic acid 0.92
Stachydrine (proline betaine) 0.91
FA 16:0;O 0.91
Indolelactic acid 0.9
Cer 40:0;O3; Cer 18:0;O3/22:0 0.9
S-Lactoylglutathione 0.89
N,N-Dimethylvaline 0.89
PE 34:1; PE 16:0_18:1 0.89
PC 33:2; PC 15:0_18:2 0.89
Trigonelline 0.89
TG 46:2; TG 12:0_16:0_18:2 0.89
N-Acetylcarnosine 0.89
TG O-54:2; TG O-20:0_16:0_18:2 0.88
TG 56:9; TG 18:2_18:3_20:4 0.88
Pro-Ala 0.87
TG 46:0; TG 12:0_16:0_18:0 0.87
PI 38:6 (1); PI 18:2_20:4 0.87
TG 48:2; TG 14:0_16:0_18:2 0.87
Cer 42:1;O3; Cer 18:0;O3/24:1 0.87
PC 31:0; PC 15:0_16:0 0.87
FA 24:3 0.87
4-Pyridoxic acid 0.86
Cer 42:0;O3; Cer 18:0;O3/24:0 0.85
TG 48:4 (2); TG 12:0_16:0_20:4 0.85
1-Methyluric acid 0.85
TG 46:4 (2); TG 10:0_16:0_20:4 0.85
TG 51:4; TG 15:0_18:2_18:2 0.85
Adenosine 5'-diphosphoribose 0.85
TG 48:4 (1); TG 12:0_18:2_18:2 0.84
SM 38:4;O2; SM 21:0;O2/17:4 0.84
TG 44:3; TG 8:0_18:1_18:2 0.84
5-Methyl-2'-deoxycytidine 0.83
TG 44:2; TG 10:0_16:0_18:2 0.83
PC 35:4; PC 15:0_20:4 0.82
Cer 30:1;O2; Cer 18:1;O2/12:0 0.82
TG 54:7; TG 16:0_18:2_20:5 0.82
Pyridoxal 5-phosphate 0.82
TG 56:8 (1); TG 18:2_18:2_20:4 0.82
TG 50:4 (1); TG 14:0_18:2_18:2 0.82
1-beta-Arabinofuranosyluracil 5'-monophosphate 0.82
PC O-35:8 (1) 0.81
TG 46:1; TG 12:0_16:0_18:1 0.81
PC O-38:4 (2) 0.81
CAR 15:0 0.8
TG 48:3; TG 12:0_18:1_18:2 0.8
FA 18:3 0.8
Val-Tyr 0.8
TG 44:1; TG 12:0_14:0_18:1 0.8
CAR 20:0 0.8
LPC 15:0/0:0 0.8
CAR 4:1;O2 0.8
Ile-Gln 0.8
PC O-44:6 0.8
PI 36:2; PI 18:0_18:2 0.79
TG 50:4 (2); TG 14:0_16:0_20:4 0.79
TG 52:8; TG 12:0_20:4_20:4 0.78
Allantoin 0.78
Tryptophan 0.78
PE 38:5; PE 18:1_20:4 0.78
LPE 22:6 0.78
TG 38:2; TG 10:0_10:0_18:2 0.78
PS 37:4; PS 17:0_20:4 0.78
PC 36:0; PC 18:0_18:0 0.78
Glycero-3-phosphocholine 0.78
TG 58:11; TG 18:2_20:4_20:5 0.77
SM 42:2;O3 0.77
Val-Glu 0.77
2'-Deoxyuridine 5'-monophosphate 0.77
5'-S-Methyl-5'-thioadenosine 0.77
FA 26:5 0.77
PS 38:3; PS 18:0_20:3 0.77
SM 34:1;O2; SM 18:1;O2/16:0 0.77
DG 36:5; DG 18:2_18:3 0.76
FA 22:5 (2) 0.76
TG 54:6 (2); TG 16:0_18:2_20:4 0.76
TG 43:0; TG 10:0_16:0_17:0 0.76
LPC 20:1/0:0 0.76
PG 38:6 (1); PG 18:2_20:4 0.75
PC 35:1; PC 17:0_18:1 0.75
CL 70:7; CL 16:1_18:2_18:2_18:2 0.75
Cer 38:0;O3; Cer 18:0;O3/20:0 0.75
FA 18:4 0.75
PE O-39:5; PE O-17:1_22:4 0.75
PE O-40:8; PE O-18:2_22:6 0.75
PC 40:1 0.75
TG 48:1; TG 14:0_16:0_18:1 0.74
PE O-36:5; PE O-16:1_20:4 0.74
SM 36:1;O2; SM 18:1;O2/18:0 0.74
N-Acetylleucine 0.74
Sucrose 0.74
TG 58:8; TG 18:1_18:2_22:5 0.74
Urea 0.73
PE 40:5; PE 18:0_22:5 0.73
Leu-Thr 0.73
FA 22:3 0.73
2-Hydroxybutyric acid 0.73
CAR 22:2 0.72
TG 53:3; TG 17:0_18:1_18:2 0.72
SM 42:3;O2; SM 29:2;O2/13:1 0.72
N-Acetylgalactosamine 4-sulfate 0.72
PE 40:7;O; PE 20:4_20:3;O 0.72
TG 48:6 (2); TG 10:0_16:0_22:6 0.72
PE O-34:2; PE O-16:1_18:1 0.71
Cer 38:2;O2; Cer 18:2;O2/20:0 0.71
TG 50:6 (1); TG 12:0_18:2_20:4 0.71
FA 28:6;O 0.71
PC 38:3; PC 18:0_20:3 0.71
FA 17:2 0.71
TG 45:2; TG 12:0_15:0_18:2 0.71
TG 52:6 (1); TG 16:1_18:2_18:3 0.71
PE 37:2; PE 19:0_18:2 0.71
PG 36:1; PG 18:0_18:1 0.7
Ergothioneine 0.7
FA 24:4 0.7
TG 44:4 (1); TG 8:0_18:2_18:2 0.7
Betaine 0.7
TG O-52:2; TG O-18:1_16:0_18:1 0.7
FA 22:4 0.7
PS 40:5; PS 18:0_22:5 0.7
LPC 18:1/0:0 0.7
N-Acetylputrescine 0.69
TG 51:3; TG 15:0_18:1_18:2 0.69
FA 22:5 (1) 0.69
PC 32:0; PC 16:0_16:0 0.69
4-Guanidinobutyric acid 0.69
PE O-32:1; PE O-16:1_16:0 0.69
FA 32:1 0.69
FA 24:5 0.69
PC 38:5; PC 18:1_20:4 0.68
FA 20:4 0.68
TG 43:2; TG 10:0_15:0_18:2 0.68
TG 47:3; TG 12:0_17:1_18:2 0.68
TG 52:4 (1); TG 16:1_18:1_18:2 0.68
Daidzein 4'-sulfate 0.67
LPE 22:4 0.67
PC 34:0; PC 16:0_18:0 0.67
PC O-35:8 (2) 0.67
TG 40:3; TG 10:0_12:0_18:3 0.67
FA 22:2 0.67
Ser-Glu 0.67
DG 40:6; DG 18:2_22:4 0.66
LPE 17:0 0.66
gamma-Glu-Tyr 0.66
PC 37:4; PC 17:0_20:4 0.66
Adenylosuccinic acid 0.66
TG 43:1; TG 10:0_15:0_18:1 0.66
CAR 4:0;O 0.66
PC O-37:9 0.66
TG 46:4 (1); TG 10:0_18:2_18:2 0.66
Uridine diphosphate glucuronic acid 0.66
TG 46:3; TG 10:0_18:1_18:2 0.65
alpha-Ketoglutaric acid 0.65
FA 20:3 0.65
TG 54:5; TG 16:0_18:1_20:4 0.65
PI 38:5; PI 18:1_20:4 0.65
TG 39:0; TG 12:0_13:0_14:0 0.65
TG 50:3; TG 14:0_18:1_18:2 0.64
PEtOH 34:2; PEtOH 16:0_18:2 0.64
TG 38:3; TG 8:0_12:0_18:3 0.64
TG 50:6 (2); TG 12:0_16:0_22:6 0.64
HexCer 41:1;O2 0.64
PE 38:6 (1); PE 18:2_20:4 0.64
LPI 16:0 0.64
TG 45:3; TG 10:0_17:1_18:2 0.63
CAR 5:1 0.63
LPC 24:1/0:0 0.63
Anserine 0.63
PC 42:5; PC 22:1_20:4 0.63
N-Acetylglucosamine 6-phosphate 0.63
TG 56:8 (2); TG 16:0_18:2_22:6 0.62
PE 34:4; PE 14:0_20:4 0.62
S-Adenosylhomocysteine 0.62
PC 32:1; PC 16:0_16:1 0.62
4-Hydroxyisoleucine 0.62
FA 20:2;O 0.61
TG 52:6 (2); TG 14:0_16:0_22:6 0.61
CAR 5:0 0.61
TG 50:7; TG 10:0_18:2_22:5 0.61
FA 26:2 0.61
LPI 15:0 0.6
PC 36:4 (1); PC 18:2_18:2 0.6
TG 53:2; TG 17:0_18:1_18:1 0.6
TG 41:1; TG 11:0_12:0_18:1 0.6
Asparagine 0.6
LPC 20:0/0:0 0.59
PEtOH 34:1; PEtOH 16:0_18:1 0.59
PC O-38:4 (1) 0.59
TG 52:3; TG 16:0_18:1_18:2 0.59
PE O-38:7 (1); PE O-18:3_20:4 0.58
PE 38:1; PE 18:0_20:1 0.58
Suberic acid 0.58
PI 36:1; PI 18:0_18:1 0.58
CL 74:7; CL 18:1_18:1_18:2_20:3 0.58
Thr-Leu 0.58
FA 25:1 0.58
FA 24:6 0.58
S-Succinylcysteine 0.57
PE 34:2; PE 16:0_18:2 0.57
CAR 18:3 0.57
LPC 18:0/0:0 0.57
LPE 18:1 0.57
FA 20:4;O 0.56
CL 72:6; CL 18:1_18:1_18:2_18:2 0.56
TG 50:2; TG 16:0_16:0_18:2 0.56
PS 40:1; PS 22:0_18:1 0.56
LPS 18:0 0.55
FA 22:6 0.55
PE O-38:2 (1); PE O-20:0_18:2 0.55
Cer 34:1;O2; Cer 18:1;O2/16:0 0.55
CAR 18:1 0.55
PG 32:0; PG 16:0_16:0 0.55
FAHFA 27:0;O; FAHFA 3:0/24:0;O 0.54
Tetrasaccharide 0.54
TG 47:2; TG 14:0_15:0_18:2 0.54
N-Acetylglutamic acid 0.54
SM 40:2;O2; SM 18:2;O2/22:0 0.54
TG 54:3; TG 18:0_18:1_18:2 0.54
LPC 20:4/0:0 (2) 0.54
TG 55:2; TG 18:0_18:1_19:1 0.54
LPC 18:2/0:0 0.53
PC 38:2; PC 18:0_20:2 0.53
Spermidine 0.53
CAR 16:2 0.53
TG 45:0; TG 14:0_15:0_16:0 0.53
FAHFA 25:0;O; FAHFA 3:0/22:0;O 0.53
PS 34:1; PS 16:0_18:1 0.53
TG 46:5; TG 10:0_18:2_18:3 0.53
Glu-Gln 0.52
N6-Threonylcarbamoyladenosine 0.52
LPE O-16:1 0.52
PE 38:3; PE 18:0_20:3 0.52
LPC O-16:0 0.51
TG 45:1; TG 14:0_15:0_16:1 0.51
PE O-35:2; PE O-17:1_18:1 0.51
Carnitine 0.51
TG 51:2; TG 16:0_17:1_18:1 0.51
LPC 20:3/0:0 0.51
Phosphoenolpyruvic acid 0.51
TG 60:4; TG 18:1_24:1_18:2 0.5
PG 36:3; PG 18:1_18:2 0.5
HexCer 36:1;O2 0.5
DG 40:7; DG 18:2_22:5 0.5
TG 48:0; TG 15:0_16:0_17:0 0.5
PC O-34:1 0.5
TG 50:1; TG 16:0_16:0_18:1 0.5
Deoxycytidine 0.5
Carnosine 0.5
PC 39:4; PC 19:0_20:4 0.5
3-Hydroxyisobutyric acid 0.49
CAR 18:2 0.49
Val-Val 0.49
TG 52:2; TG 16:0_18:0_18:2 0.49
DG 38:4; DG 18:0_20:4 0.49
LPC 24:2/0:0 0.49
PC 35:2; PC 17:0_18:2 0.48
Cer 40:2;O2; Cer 18:2;O2/22:0 0.48
PE O-40:5; PE O-18:1_22:4 0.48
Flavine mononucleotide 0.48
Creatinine 0.48
Fumaric acid 0.48
FA 19:1 0.47
LPC 22:6/0:0 0.47
TG 56:5; TG 16:0_18:1_22:4 0.47
Cytidine 2',3'-cyclic monophosphoric acid 0.47
Dimethylarginine 0.47
Uric acid 0.46
FA 16:2 0.46
HexCer 40:1;O2 0.46
Arginine 0.46
CAR 3:0 0.46
PC 42:2; PC 24:0_18:2 0.46
LPC 20:5/0:0 (2) 0.46
Phenol sulfate 0.46
FA 18:2 0.46
TG 52:4 (2); TG 16:0_16:0_20:4 0.45
CE 18:2 0.45
DG 40:8; DG 18:2_22:6 0.45
Succinic acid 0.45
gamma-Glu-Leu 0.45
PC O-38:8 0.45
TG 56:3; TG 20:0_18:1_18:2 0.45
Oxalic acid 0.44
PC O-38:7 0.44
PE 40:8; PE 18:2_22:6 0.44
PC O-37:10 0.44
FA 16:0 0.44
PC 34:1; PC 16:0_18:1 0.44
gamma-Glu-Glu 0.44
CAR 18:0 0.44
DG 34:3; DG 16:1_18:2 0.43
PE 40:4; PE 18:0_22:4 0.43
Linoleoyl coenzyme A 0.43
CL 75:8; CL 18:1_18:2_18:2_21:3 0.43
LPC 22:5/0:0 0.43
TG 54:2; TG 16:0_18:1_20:1 0.43
DG 36:4 (1); DG 18:2_18:2 0.43
LPI 20:4 0.43
PEtOH 36:2; PEtOH 18:0_18:2 0.43
LPE 19:0 0.43
Gly-Leu 0.43
SM 33:1;O2; SM 17:1;O2/16:0 0.43
DG 36:4 (2); DG 16:0_20:4 0.42
Leu-Ile 0.42
N1-Acetylspermidine 0.42
PC 41:1 0.42
TMAO 0.42
TG 47:1; TG 15:0_16:0_16:1 0.42
Cer 42:2;O3; Cer 18:0;O3/24:2 0.42
NAE 16:0 0.42
Thymidine 0.42
SM 43:1;O2 0.42
gamma-Glu-Gln 0.41
Thymine 0.41
TG 51:1; TG 16:0_17:0_18:1 0.41
Cer 43:1;O2; Cer 18:1;O2/25:0 0.41
TG 49:1; TG 15:0_16:0_18:1 0.41
TG 58:3; TG 16:0_24:1_18:2 0.41
Inosine 5'-monophosphate 0.41
PE O-38:7 (2); PE O-16:1_22:6 0.41
PE O-34:3; PE O-16:1_18:2 0.41
PC 42:1 0.41
Val-Phe 0.4
Cer 36:1;O2; Cer 18:1;O2/18:0 0.4
Orotic acid 0.4
LPE O-18:2 0.4
PG 42:10; PG 20:4_22:6 0.4
Isocitric acid 0.4
Cer 42:1;O2; Cer 18:1;O2/24:0 0.4
Ile-Ser 0.4
TG 52:1; TG 16:0_18:0_18:1 0.4
PI 34:2; PI 16:0_18:2 0.4
Ala-Val 0.39
Serine 0.39
Biopterin 0.39
FA 24:0 0.39
FA 18:0;O 0.38
LPC 22:1/0:0 0.38
Xanthosine 0.38
Cer 34:1;O3; Cer 18:1;O2/16:0;(OH)2 0.38
NAOrn 19:0;O 0.38
PC 44:5 0.38
Creatine 0.38
LPI 18:0 0.38
Glutamic acid 0.38
PE 38:6 (2); PE 16:0_22:6 0.37
DG 36:3; DG 18:1_18:2 0.37
LPE 20:4 0.37
FA 17:1 0.37
Genistein-4'-glucuronide 0.37
Uridine 0.37
Ile-Tyr 0.37
TG 58:5; TG 18:0_18:1_22:4 0.37
Ile-Phe 0.36
FA 18:0 0.36
CAR 4:0 0.36
PC 44:4 0.36
Glu-Lys 0.36
N-Acetylaspartic acid 0.36
Ala-Ile 0.36
LPC 20:4/0:0 (1) 0.36
CAR 6:0;O (2) 0.36
Val-Leu 0.36
Thr-Thr 0.36
PI 38:6 (2); PI 16:0_22:6 0.35
Cer 41:2;O2; Cer 18:2;O2/23:0 0.35
Gln-Leu 0.35
Cer 38:1;O2; Cer 18:1;O2/20:0 0.35
PC 31:2 0.35
CL 72:7; CL 18:1_18:2_18:2_18:2 0.35
PC O-34:2 0.35
Ala-Ala 0.34
LPE 18:2 0.34
N,N-Dimethylarginine 0.34
Gly-Glu 0.34
FA 24:1 0.34
TG 57:2; TG 16:0_23:0_18:2 0.34
PC 44:8 0.34
PI 40:5; PI 18:0_22:5 0.34
TG 56:2; TG 16:0_18:1_22:1 0.34
alpha-Aminoadipic acid 0.34
PS 36:4; PS 16:0_20:4 0.34
Glutathione (oxidized) 0.34
PC 37:2; PC 19:0_18:2 0.34
Acetyl-beta-alanine 0.34
PC O-39:10 0.34
Ile-Pro-Ile 0.34
FA 26:1 0.34
LPE O-17:1 0.33
Cer 44:2;O2; Cer 18:1;O2/26:1 0.33
TG 58:10 (1); TG 18:2_20:4_20:4 0.33
Taurine 0.33
Val-Asp 0.33
Proline 0.33
FA 28:0 0.32
CAR 20:4 0.32
NAOrn 17:0;O 0.32
Kynurenine 0.32
Cer 44:1;O2; Cer 20:1;O2/24:0 0.32
CAR 20:3 0.32
Uridine diphosphate glucose 0.31
DG 32:0; DG 16:0_16:0 0.31
FA 28:1 0.31
Arachidonoyl coenzyme A 0.31
CE 20:4 0.31
PC 34:2; PC 16:0_18:2 0.31
TG 58:2; TG 16:0_18:1_24:1 0.31
FA 22:6;O 0.31
Fructose 6-phosphate 0.31
Argininosuccinic acid 0.3
TG 54:1; TG 16:0_20:0_18:1 0.3
Glucose 1-phosphate 0.3
Ser-Leu 0.3
TG 60:2; TG 16:0_26:0_18:2 0.3
N-gamma-Glu-Leu 0.3
CAR 17:0 0.3
Guanosine 5'-monophosphate 0.3
Citric acid 0.29
NAE 18:0 0.29
Glucuronic acid 0.29
PS 38:1; PS 20:0_18:1 0.29
Ser-Ile 0.29
PE O-37:5; PE O-17:1_20:4 0.29
N-Acetylneuraminate 0.29
Pro-Pro 0.29
PG 38:4; PG 18:0_20:4 0.29
Pentose X-phosphate 0.29
CE 18:1 0.29
PE O-36:6; PE O-16:1_20:5 0.29
FA 30:1 0.29
SM 38:1;O2 0.28
CAR 14:2;O 0.28
PE O-36:2; PE O-18:1_18:1 0.28
Val-Ile 0.28
PC 42:4 (1) 0.28
PI 38:3; PI 18:0_20:3 0.28
PE 36:4; PE 16:0_20:4 0.27
TG 56:1; TG 16:0_22:0_18:1 0.27
Isoleucine 0.27
PG 36:4 (1); PG 18:2_18:2 0.27
N6-Succinyladenosine 0.27
N-Acetylthreonine 0.27
Methionine sulfoxide 0.27
PC 36:1; PC 18:0_18:1 0.27
Xanthosine 5'-monophosphate 0.27
Cer 42:3;O2; Cer 18:2;O2/24:1 0.27
Cytosine 0.27
FA 27:0 0.27
PE O-40:7; PE O-18:1_22:6 0.27
PS 36:2; PS 18:0_18:2 0.27
Serotonin 0.26
Choline 0.26
PC 38:6 (1); PC 18:2_20:4 0.26
FA 15:0 0.26
Disaccharide 0.26
CL 70:5; CL 16:0_18:1_18:2_18:2 0.26
PG 36:2; PG 18:1_18:1 0.26
FAHFA 40:4;O; FAHFA 22:4/18:0;O 0.26
FA 32:0 0.26
Nicotinic acid 0.26
Cer 40:1;O2; Cer 18:1;O2/22:0 0.26
Xanthine 0.25
FA 14:1 0.25
Val-Gln 0.25
DG 38:5; DG 16:0_22:5 0.25
PE 36:6; PE 14:0_22:6 0.25
FA 24:2 0.25
FA 19:0 0.25
Urocanic acid 0.25
Thiamine 0.25
LPG 16:0 0.25
FA 20:5 (2) 0.25
N-Acetylmethionine 0.25
FA 22:5;O 0.25
PG 34:1; PG 16:0_18:1 0.25
PC 40:5; PC 18:0_22:5 0.24
SM 41:1;O2; SM 18:1;O2/23:0 0.24
Cytidine 5'-diphosphate ethanolamine 0.24
PC 42:4 (2) 0.24
PC 38:6 (2); PC 16:0_22:6 0.24
GM3 34:1;O2 0.24
Cer 41:1;O2; Cer 18:1;O2/23:0 0.23
Ophthalmic acid 0.23
Trisaccharide 0.23
Pro-Asp 0.23
FA 18:1 0.23
Aconitic acid, cis- 0.22
DG 36:1; DG 18:0_18:1 0.22
FA 23:1 0.22
Uridine 5'-diphosphoacetylglucosamine 0.22
FA 30:0 0.22
Cer 42:2;O2; Cer 18:2;O2/24:0 0.22
FA 24:0;O 0.22
PE 42:7;O; PE 20:4_22:3;O 0.22
N-Acetyl-S-benzylcysteine 0.22
PE 36:1; PE 18:0_18:1 0.22
Adenosine 3'-monophosphate 0.21
SM 42:1;O2; SM 18:1;O2/24:0 0.21
PG 34:2 (2); PG 16:0_18:2 0.21
DG 34:1; DG 16:0_18:1 0.21
DG 40:4; DG 18:0_22:4 0.21
FA 23:0 0.21
N,N-Dimethylguanosine 0.21
FAHFA 36:3;O; FAHFA 18:2/18:1;O 0.2
Adenine 0.2
Aconitic acid, trans- 0.2
Ile-Asp 0.2
N-Acetylalanine 0.2
Phenylalanine 0.2
CL 74:10; CL 18:2_18:2_18:2_20:4 0.2
PC O-37:8 0.19
FA 25:0 0.19
PE 40:6; PE 18:0_22:6 0.19
HexCer 42:1;O2 0.19
3-Indoxyl sulfate 0.19
Methionine 0.19
LPE 16:0 0.19
Cytidine 5'-diphosphocholine 0.19
Lactic acid 0.19
PI 32:0; PI 16:0_16:0 0.19
N-Acetylarginine 0.19
CoQ9 0.18
PS 40:6; PS 18:0_22:6 0.18
FA 20:1 0.18
Pyruvic acid 0.18
Leucine 0.18
FA 20:5 (1) 0.18
Inosine 0.18
PS 36:1; PS 18:0_18:1 0.18
PE 38:4; PE 18:0_20:4 0.18
PC O-41:11 0.18
PC O-36:0 0.18
FA 13:0 0.18
Cer 33:1;O2; Cer 17:1;O2/16:0 0.18
PC 36:2; PC 18:1_18:1 0.18
PE O-35:5; PE O-15:1_20:4 0.18
ST 27:1;O;S 0.18
FA 18:1;O 0.18
Sarcosine 0.18
CAR 20:1 0.18
Cytidine 0.17
SM 42:2;O2; SM 18:1;O2/24:1 0.17
Glutamine 0.17
FA 22:1 0.17
CAR 20:2 0.17
PI 38:4; PI 18:0_20:4 0.17
Nicotinamide 0.17
PE O-38:2 (2); PE O-18:1_20:1 0.16
SM 36:0;O2 0.16
Hypoxanthine 0.16
Malonic acid 0.16
Trimethyllysine 0.16
Alanine 0.16
LPC 16:0/0:0 0.16
CE 22:6 0.16
Cytidine 5'-monophosphate 0.16
Glucose 0.15
Gluconic acid 0.15
Tryptamine 0.15
FA 17:0 0.15
SM 40:4;O2 0.15
PC 38:4; PC 18:0_20:4 0.15
FA 16:1 0.15
Histidine 0.15
HexCer 34:1;O2; HexCer 18:1;O2/16:0 0.15
PC O-38:6 0.15
Glu-Gly-Arg 0.15
FA 20:0 0.15
PC 40:2 0.15
Phenylacetaldehyde 0.15
PC O-38:5 0.15
Tyramine 0.15
Lysine 0.15
Vanillin-4-sulfate 0.14
Malic acid 0.14
LPE 18:0 0.14
Glycine 0.14
FA 21:0 0.14
Cytidine 5'-monophospho-N-acetylneuraminic acid 0.14
PE O-38:5 (2); PE O-18:1_20:4 0.13
DG 36:2; DG 18:0_18:2 0.13
Uridine 5-monophosphate 0.13
Tyrosine 0.13
N-Acetylglucosaminylasparagine 0.13
PE 36:2; PE 18:1_18:1 0.13
N-Acetylphenylalanine 0.13
PE O-36:3; PE O-18:2_18:1 0.13
FA 15:1 0.13
Flavin adenine dinucleotide 0.13
PG 38:5; PG 18:1_20:4 0.13
N-Acetylhistidine 0.12
PS 34:2; PS 16:0_18:2 0.12
FA 22:0 0.12
Acetylcholine 0.12
SM 40:1;O2; SM 18:1;O2/22:0 0.12
1-Methylhistidine 0.11
PG 36:4 (2); PG 16:0_20:4 0.11
CL 72:8; CL 18:2_18:2_18:2_18:2 0.11
PC 36:4 (2); PC 16:0_20:4 0.11
PE O-38:5 (1); PE O-16:1_22:4 0.11
PG 40:8; PG 18:2_22:6 0.1
PC O-36:2 0.1
SM 41:2;O2; SM 18:2;O2/23:0 0.1
SM 39:1;O2 0.1
NAOrn 27:1;O 0.1
N-Acetylserine 0.1
PI 36:4; PI 16:0_20:4 0.09
SM 34:0;O2 0.09
PC 37:8 0.09
trans-Crotonobetaine 0.09
1-Methyladenosine 0.09
CL 92:4; CL 18:0_26:0_28:0_20:4 0.09
FA 26:0 0.09
PC O-34:0 0.08
Piperidine 0.07
Model performance: Q2 = 0.986, p < 0.001 (based on 1000 permutations, 5-fold cross-validation).
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Explorer data - PCA, PLS-DA

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