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. 2024 Jun 13;14:13630. doi: 10.1038/s41598-024-64561-z

Table 2.

Library matched metabolite peaks that most significantly differentiated LIFE (n = 52) and CON (n = 52) groups (VIP ≥ 1 and p < 0.05 for group fold differences ≥ │1.8│).

Metabolite peaka Ontology level (OL) Metabolite VIP p-valueb Fold differencec
0.63_148.0602m/z OL_1 3-Methylaspartate 2.6 1.30E−09 − 2.5
OL_1 Glutamic acid 2.6 1.30E−09 − 2.5
OL_1 N-Acetylserine 2.6 1.30E−09 − 2.5
OL_2a N-Methyl-d-aspartic acid 2.6 1.30E−09 − 2.5
OL_2a O-Acetylserine 2.6 1.30E−09 − 2.5
12.14_330.2553n OL_2b Docosapentaenoic acid 2.4 2.55E−07 − 6.1
13.06_373.2733m/z OL_1 α-Muricholic acid 2.4 2.61E−07 − 2.6
OL_1 β-Muricholic acid 2.4 2.61E−07 − 2.6
OL_2b γ-Muricholic acid 2.4 2.61E−07 − 2.6
OL_2b 7-Ketochenodeoxycholate 2.4 2.61E−07 − 2.6
OL_2b Allocholic acid 2.4 2.61E−07 − 2.6
OL_2b Cholic acid 2.4 2.61E−07 − 2.6
OL_2b Ursocholic acid 2.4 2.61E−07 − 2.6
1.01_129.0787n OL_1 Pipecolic acid 2.2 2.14E−04 1.8
16.63_437.3015m/z OL_2a Diosgenin 2.1 2.09E−05 1.9
0.68_309.1050n OL_2b N-Acetylneuraminic acid 2.1 2.41E−06 − 2.0
17.26_568.4279n OL_2a Lutein 2.0 1.41E−05 2.9
11.74_430.2950m/z OL_2b Glycylcholic acid 2.0 2.35E−05 − 3.2
0.74_308.0903m/z OL_1 Reduced glutathione 1.9 3.66E−05 2.3
13.46_243.2100m/z OL_2b γ-Linolenic acid 1.9 5.88E−05 5.9
11.22_347.2213m/z OL_1 Cortexolone 1.9 4.56E−05 − 1.9
OL_1 Corticosterone 1.9 4.56E−05 − 1.9
9.98_288.1587m/z OL_2b Dihydromorphine 1.8 1.63E−04 − 4.1
4.31_134.0599m/z OL_2a Acetaminophen 1.7 1.70E−02 − 1.9
16.16_432.3234n OL_2b 1,24,25-Trihydroxyvitamin D3 1.7 2.58E−03 − 1.8
4.70_144.0806m/z OL_1 Tryptamine 1.7 7.73E−04 2.0
OL_2b 3-(2-Hydroxyethyl)indole 1.7 7.73E−04 2.0
15.68_430.3081n OL_2b 7α-hydroxy-3-oxo-4-cholestenoic acid 1.7 8.45E−04 6.7
5.31_228.0625m/z OL_2b Indolelactic acid 1.6 1.78E−03 − 2.7
OL_2b trans-Cinnamoylglycine 1.6 1.78E−03 − 2.7
10.85_180.1015m/z OL_2a Propham 1.6 1.15E−03 − 4.4
OL_2b Salsolinol 1.6 1.15E−03 − 4.4
0.58_188.1520n OL_1 N,N,N-Trimethyllysine 1.6 2.57E−04 − 1.9
OL_2b Propamocarb free base 1.6 2.57E−04 − 1.9
1.48_190.0704m/z OL_1 N-Acetylglutamate 1.6 5.15E−03 − 1.8
OL_2a 3-Dehydroshikimic acid 1.6 5.15E−03 − 1.8
4.83_268.1511m/z OL_1 2-Methylbutyroylcarnitine 1.6 1.01E−02 − 1.8
OL_1 Isovaleryl-l-carnitine 1.6 1.01E−02 − 1.8
OL_1 Valeryl-l-carnitine 1.6 1.01E−02 − 1.8
7.79_206.0809m/z OL_1 trans-Cinnamoylglycine 1.5 9.80E−04 2.5
OL_2a Dioxacarb 1.5 9.80E−04 2.5
16.78_328.2392n OL_2b Docosahexaenoic acid 1.5 2.52E−03 2.1
7.79_148.0523n OL_2b trans-Cinnamic acid 1.5 1.93E−03 2.6
14.13_392.2921n OL_2b Sodium deoxycholate 1.5 1.20E−03 − 1.8
OL_2b Chenodeoxycholic acid 1.5 1.20E−03 − 1.8
OL_2b Murideoxycholic acid 1.5 1.20E−03 − 1.8
0.96_117.0428n OL_1 N-Acetylglycine 1.5 5.17E−04 1.8
0.83_277.1025m/z OL_2a Pseudouridine 1.5 8.86E−04 − 1.8
1.01_82.0651m/z OL_2a 5-Aminopentanoate 1.4 8.73E−03 2.0
OL_2a Betaine 1.4 8.73E−03 2.0
OL_2a Nicotine 1.4 8.73E−03 2.0
9.25_150.0677n OL_1 Hydrocinnamic acid 1.4 7.82E−03 1.9
1.01_160.0602m/z OL_2a Glucosaminate 1.4 4.96E−03 2.6
OL_2a 1-Methylnicotinamide 1.4 4.96E−03 2.6
11.48_266.1382m/z OL_2a Monocyclohexyl phthalate 1.4 1.54E−03 − 2.5
5.82_170.0210m/z OL_2a trans-4-Hydroxy-l-proline 1.6 1.71E−03 − 1.8
1.53_248.1484m/z OL_1 Hydroxybutyrylcarnitine 1.4 6.57E−03 − 2.4
OL_2b Prometon 1.4 6.57E−03 − 2.4
11.37_334.2139n OL_2b Prostaglandin B2 1.4 5.06E−03 4.1
13.46_392.2921n OL_1 Ursodeoxycholate 1.4 2.74E−03 − 2.3
OL_1 Murideoxycholic acid 1.4 2.74E−03 − 2.3
OL_2b Deoxycholic acid 1.4 2.74E−03 − 2.3
OL_2b Chenodeoxycholic acid 1.4 2.74E−03 − 2.3
13.46_339.2677m/z OL_2b Dehydrolithocholic acid 1.4 2.92E−03 − 2.8
8.72_416.3156m/z OL_2b Glycolithocholic acid 1.4 3.62E−03 − 2.0
5.31_179.0581n OL_1 Hippuric acid 1.4 5.55E−03 1.8
14.16_401.2658m/z OL_1 Nordeoxycholic acid 1.3 6.63E−03 − 1.8
7.86_260.0887m/z OL_2a 3-Hydroxycarbofuran 1.3 4.78E−03 − 2.1
0.74_365.1050m/z OL_1 Lactose 1.3 6.49E−03 − 1.9
OL_1 Sucrose 1.3 6.49E−03 − 1.9
OL_1 Trehalose dihydrate 1.3 6.49E−03 − 1.9
OL_2a Palatinose 1.3 6.49E−03 − 1.9
17.15_316.2514m/z OL_2a Adrenic acid 1.3 9.31E−03 3.5
14.19_252.6229m/z OL_2a N-Acetyl leukotriene E4 1.3 3.34E−02 − 2.2
16.85_401.3408m/z OL_1 7-Ketocholesterol 1.3 8.46E−03 − 2.2
OL_1 7α-Hydroxy-4-cholesten-3-one 1.3 8.46E−03 − 2.2
11.03_357.2032m/z OL_2b Prostaglandin B2 1.3 8.85E−03 2.3
0.74_216.1226m/z OL_2a Epinephrine 1.3 4.23E−02 1.9
7.00_219.0624m/z OL_2b 3,4-Dimethoxyphenylacetic acid 1.2 1.66E−02 3.8
8.55_233.0778m/z OL_1 3,4-Dimethoxyphenylpropanoic acid 1.2 1.85E−02 2.1
10.79_375.2138m/z OL_2b Prostaglandin E2 1.2 2.40E−02 2.1
2.45_160.0756m/z OL_2b Indoleacetaldehyde 1.2 2.87E−02 2.1
OL_1 Serotonin 1.2 2.87E−02 2.1
7.33_173.1048n OL_1 Hexanoyl glycine 1.2 6.64E−03 2.8
OL_2b N-Acetylleucine 1.2 6.64E−03 2.8
9.57_189.0784n OL_2b IndolE−3-propionic acid 1.2 1.14E−02 − 2.3
OL_2a IndolE−3-methyl acetate 1.2 1.14E−02 − 2.3
15.73_433.3307m/z OL_2a Coprocholic acid 1.2 1.15E−02 − 2.2
8.55_151.0749m/z OL_2a (3,4-Dimethoxyphenyl)methanol 1.2 1.96E−02 2.0
OL_2b 2-Phenylpropionate 1.2 1.96E−02 2.0
OL_2b 3-Phenylpropanoic acid 1.2 1.96E−02 2.0
1.01_147.0649m/z OL_2a Fucose 1.2 2.52E−02 − 3.0
OL_2a Galactitol 1.2 2.52E−02 − 3.0
OL_2a Sorbitol 1.2 2.52E−02 − 3.0
2.45_160.0756m/z OL_2a Cotinine 1.2 2.87E−02 2.1
1.01_199.0211m/z OL_1 Glucuronic acid-lactone 1.2 8.76E−03 − 3.1
OL_1 Ascorbic acid 1.2 8.76E−03 − 3.1
4.74_134.0598m/z OL_2b Norepinephrine 1.1 2.38E−02 − 2.3
12.17_331.1146m/z OL_2b Mono (5-carboxy-2-ethylpentyl) phthalate 1.1 1.58E−02 − 4.4
7.55_183.0647m/z OL_2a 3,4-Dimethoxybenzoic acid 1.2 6.37E−02 1.9
OL_2a 2,4-Dimethoxybenzoic acid 1.2 6.37E−02 1.9
OL_2b 1,3-Dimethyluric acid 1.2 7.63E−02 − 1.8
5.56_146.0689n OL_2b Glutamine 1.1 1.12E−02 − 1.8
10.46_301.1314n OL_2b 10-Hydroxymorphine 1.1 3.09E−02 − 2.0
OL_2b Fenoxycarb 1.1 3.09E−02 − 2.0
OL_2b Furalaxyl 1.1 3.09E−02 − 2.0
OL_2b Oxymorphone 1.1 3.09E−02 − 2.0
OL_2b MorphinE-N-oxide 1.1 3.09E−02 − 2.0
16.56_285.2204m/z OL_1 13-cis-retinal 1.1 2.33E−02 2.7
OL_2b Eicosapentaenoic acid 1.1 2.33E−02 2.7
0.74_189.1229m/z OL_1 N-α-Acetyllysine 1.1 3.84E−02 − 1.9
13.72_495.3445m/z OL_2a 2,6-di-tert-butyl-4-hydroxy-4-methylcyclohexa-2,5-dien-1-one 1.1 7.11E−02 4.4
9.79_183.0800m/z OL_2b 9-Hydroxyfluorene 1.0 3.47E−02 − 2.2
5.31_175.0363m/z OL_2a 4-hydroxyphenylacetic acid 1.0 3.44E−02 − 4.2
1.07_138.0524m/z OL_2a Proline 1.0 3.51E−02 − 3.7
5.56_491.1998m/z OL_2a Folinic acid 1.0 3.08E−02 − 2.0

The table is sorted by Variable Influence on Projection (VIP). See Supplementary Table S4 for additional important metabolite peaks with statistics.

aMass spectrometry metabolomics platforms cannot always distinguish between isomers, and multiple peaks may match the same compound. Additionally, one peak may match multiple metabolites due to adduct formation or isobaric compounds. For the complete list of metabolites annotations or identifications of metabolite peaks see Supplementary Tables S1 and S2.

bt-test with Satterthwaite correction for unequal variances.

cPositive fold difference indicates that the mean value for the LIFE group was greater than for the CON group.