Table 2.
Metabolite | Positive ion mode | Negative ion mode | Metabolic pathway | ||||
---|---|---|---|---|---|---|---|
VIP | FC | P value | VIP | FC | P value | ||
Energy metabolism | |||||||
Adp | – | – | – | 1.80 | 5.87 | < 0.001 | Energy metabolism |
c12h22o11‐Disaccharide‐(6c/6c; glc‐glc/glc‐frc/gal‐glc) | – | – | – | 1.22 | 3.38 | 0.002 | — |
Lactose + k | 2.22 | 17.84 | < 0.001 | – | – | – | Galactose metabolism |
Nicotinamide | 2.20 | 4.55 | < 0.001 | – | – | – | Nicotinate metabolism |
Lipid metabolism | |||||||
Arachidonic acid (20:4) | – | – | – | 1.56 | 6.95 | < 0.001 | Fatty acid synthesis |
Docosahexaenoic acid (22:6) | – | – | – | 1.44 | 4.47 | < 0.001 | Fatty acid synthesis |
Eicosapentaenoic acid | – | – | – | 1.52 | 9.40 | < 0.001 | Fatty acid synthesis |
LysoPC (16:0) | 1.60 | 4.39 | < 0.001 | – | – | – | Glycerophospholipid metabolism |
LysoPC (16:1) | 1.24 | 2.29 | 0.007 | – | – | – | Glycerophospholipid metabolism |
LysoPC (18:0) | 1.68 | 4.17 | < 0.001 | – | – | – | Glycerophospholipid metabolism |
LysoPC (18:1) | 1.43 | 2.89 | 0.003 | 1.21 | 2.88 | 0.005 | Glycerophospholipid metabolism |
LysoPC (20:4) | 1.50 | 3.27 | 0.001 | – | – | – | Glycerophospholipid metabolism |
LysoPC (22:6) | 1.51 | 2.79 | 0.001 | – | – | – | Glycerophospholipid metabolism |
LysoPE (16:0) | – | – | – | 1.38 | 4.03 | < 0.001 | Glycerophospholipid metabolism |
LysoPE (18:0) | 1.70 | 4.62 | < 0.001 | 1.48 | 4.86 | < 0.001 | Glycerophospholipid metabolism |
LysoPE (20:4) | 1.47 | 2.43 | < 0.001 | 1.44 | 2.80 | < 0.001 | Glycerophospholipid metabolism |
LysoPE (22:6) | 1.34 | 2.15 | 0.007 | 1.19 | 2.06 | 0.003 | Glycerophospholipid metabolism |
Phosphocholine | 1.77 | 2.39 | < 0.001 | – | – | – | Glycerophospholipid metabolism |
Spermidine | 1.82 | 3.23 | < 0.001 | – | – | – | Arginine and proline metabolism |
Sphingosine‐1‐phosphate | – | – | – | 1.46 | 4.06 | < 0.001 | Sphingolipid metabolism |
Sulfoacetaldehyde | – | – | – | 1.56 | 2.15 | < 0.001 | Taurine metabolism |
Amino acid metabolism | |||||||
3‐Sulfino‐l‐alanine | – | – | – | 1.66 | 2.87 | 0.000 | Cysteine and methionine metabolism |
4‐Guanidinobutanoate | 1.88 | 3.23 | < 0.001 | 1.54 | 3.07 | < 0.001 | Arginine and proline metabolism |
4‐Oxoproline | – | – | – | 1.71 | 3.48 | < 0.001 | Arginine and proline metabolism |
5‐Oxo‐l‐proline | 2.09 | 4.05 | < 0.001 | – | – | – | Glutathione metabolism |
Allantoin | 1.91 | 2.10 | < 0.001 | 1.68 | 2.14 | < 0.001 | Purine metabolism |
Allopurinol | 1.56 | 5.12 | < 0.001 | – | – | – | Purine metabolism |
Anthranilate | 1.95 | 2.54 | < 0.001 | – | – | – | Tryptophan metabolism |
Aspartate | 2.26 | 3.11 | < 0.001 | 1.27 | 1.42 | < 0.001 | Arginine biosynthesis |
Carnosine | 1.52 | 6.02 | < 0.001 | – | – | – | Histadine metabolism |
Gluconic acid | 2.03 | 2.70 | < 0.001 | 1.86 | 1.80 | < 0.001 | Pentose phosphate synthesis |
Glyceric acid | – | – | – | 1.84 | 3.24 | < 0.001 | Pentose phosphate synthesis |
Glycerophosphocholine | 2.20 | 7.92 | < 0.001 | – | – | – | Glycerophospholipid metabolism |
Glycyl‐l‐leucine | 1.89 | 2.86 | < 0.001 | – | – | – | – |
Homovanillate | – | – | – | 1.88 | 7.41 | < 0.001 | Tyrosine metabolism |
Indole‐3‐acetate | – | – | – | 1.39 | 2.36 | < 0.001 | Tryptophan metabolism |
L‐glutamic acid | – | – | – | 2.03 | 11.18 | < 0.001 | Arginine biosynthesis |
L‐lysine | 2.11 | 2.19 | < 0.001 | – | – | – | Lysine biosynthesis |
Leu pro | 1.43 | 2.42 | 0.001 | – | – | – | – |
Ll‐2,6‐Diaminoheptanedioate | 1.88 | 2.36 | < 0.001 | 0.73 | 1.20 | 0.122 | Lysine biosynthesis |
Methionine sulfoxide | 1.97 | 4.09 | < 0.001 | – | – | – | Cysteine and methionine metabolism |
N‐acetylneuraminate | 2.23 | 4.20 | < 0.001 | 1.98 | 2.95 | < 0.001 | Amino/nucleotide sugar metabolism |
N‐formylglycine | 1.88 | 1.61 | < 0.001 | 1.88 | 2.12 | < 0.001 | – |
N‐methyl‐d‐aspartic acid | 2.32 | 10.19 | < 0.001 | – | – | – | Ion channel regulator |
O‐phosphoserine | 2.29 | 8.18 | < 0.001 | – | – | – | Gly/Ser/Thr metabolism |
Taurine | 1.99 | 2.33 | < 0.001 | 1.74 | 2.18 | < 0.001 | Bile acid metabolism |
No classification | |||||||
Citramalate | – | – | – | 1.44 | 2.13 | < 0.001 | – |
Mono‐(2‐ethylhexyl) | |||||||
Phthalate dimer | – | – | – | 1.35 | 3.02 | 0.001 | – |
FC, fold change; FM, fibromyalgia; Gly, glycine; Ser, serine; Thr, threonine; VIP, Variable Importance in Projection.
References used to pinpoint the pathway for each metabolite were the Human Metabolome Database30 (http://www.hmdb.ca/) and the Kyoto Encyclopedia of Genes and Genomes KEGG33 (https://www.genome.jp/kegg/).