Table 1.
Mechanosensitive metabolites identified by PLS-DA VIP scores. VIP scores in PLS-DA identified metabolite features that contributed the most to the variation between control and exercised datasets. The top 25 metabolite features were matched with potential metabolite identities using the metabolite database METLIN (adducts: H+, Na+; mass tolerance: 15 ppm). False positives and drugs were removed from compound matches. An uncondensed list of compound matches is shown in Supplemental Table 4. Mass-to-charge ratios may match multiple metabolite identities because of either isoptomers or differential adduct formation (H+ or Na+) during ionization. Columns: Metabolite identity-putative metabolite match between experimental data and Metlin database. Mass-mass of putative metabolite. PPM—difference between database and experimental metabolite in parts per million. Adduct—ion adduct of experimental metabolite feature. Feature—mass of experimental metabolite feature. VIP score—variable importance projection score for PLS-DA analysis. High/Low—arrows indicate if the expression increased or decreased with exercise.
| MECHANOSENSITIVE METABOLITE FEATURES | ||||||
|---|---|---|---|---|---|---|
| PLS-DA VIP | ||||||
| Metabolite Identity | Mass | PPM | Adduct | Feature | VIP score | High (↑)/Low (↓) with Ex |
| 540.3787308 | 3.2385 | ↓ | ||||
| 724.3843297 | 3.1837 | ↑ | ||||
| 432.3287659 | 2.9562 | ↑ | ||||
| 254.1659953 | 2.9487 | ↑ | ||||
| alpha-licanic acid | 292.2038 | 11 | Na | 315.1893049 | 2.9388 | ↑ |
| Oxo-phytodienoic Acid | 292.2038 | 11 | ||||
| Colnelenic acid | 292.2038 | 11 | ||||
| Octadecatrienoic acid derivatives | 292.2038 | 11 | ||||
| Etherolenic acid | 292.2038 | 11 | ||||
| Na | 588.3494507 | 2.8234 | ↑ | |||
| Phosphatidylserine | 573.3067 | 13 | H | 574.3215061 | 2.7651 | ↑ |
| Phenyalanyl-cysteine | 268.0882 | 7 | H | 269.0934337 | 2.7517 | ↑ |
| benzopyrene derivatives | 268.0888 | 9 | ||||
| 3-hydroxyphenoytoin | 268.0848 | 5 | ||||
| 5-(4-hydroxyphenyl-5-phenylhydantoin | 268.0848 | 5 | ||||
| 2,4-Imidazolidinedione | 268.0848 | 5 | ||||
| N-acetyl-d-tryptophan | 246.1004 | 14 | Na | |||
| Methionyl-prolnie/prolyl-methionine | 246.1038 | 1 | ||||
| 389.2767817 | 2.5654 | ↑ | ||||
| 416.2059441 | 2.5421 | ↑ | ||||
| (1xi,3S)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-1,3-dicarboxylic acid | 274.0954 | 9 | H | 275.105217 | 2.5367 | ↑ |
| p-(3,4-Dihydro-6-methoxy-2-naphthyl)phenol | 252.115 | 3 | Na | |||
| (1Z,4Z)-1,5-bis(4-hydroxyphenyl)-1,4-pentadiene | 252.115 | 3 | ||||
| 2-Phenylethyl 3-phenyl-2-propenoate | 252.115 | 3 | ||||
| Cinnamyl phenylacetate | 252.115 | 3 | ||||
| 158.9621908 | 2.5173 | ↑ | ||||
| Chaetoglobosin N | 542.2781 | 12 | Na | 565.2744141 | 2.5167 | ↑ |
| 574.296524 | 2.5135 | ↑ | ||||
| 636.3336589 | 2.4987 | ↑ | ||||
| 490.2615585 | 2.4765 | ↑ | ||||
| Idebenone metabolite (QS-4) | 268.0947 | 10 | H | 269.1048467 | 2.4558 | ↑ |
| diethyl 2,6-dimethyl-4-oxo-4h-pyran-3,5-dicarboxylate | 268.0947 | 10 | ||||
| 3,3′-diindolylmethane | 246.1157 | 0 | Na | |||
| Phosphatidylserine | 701.4268 | 4 | Na | 724.4128876 | 2.4345 | ↑ |
| Unoprostone isopropyl ester | 424.3189 | 8 | H | 425.3225082 | 2.4303 | ↓ |
| 4,4′-Diaponeurosporene | 402.3287 | 10 | Na | |||
| Vitamin D3 derivatives | 402.3298 | 8 | ||||
| Thiocholesterol | 402.332 | 2 | ||||
| Phosphatidylcholine | 677.4996 | 12 | H | 678.4982526 | 2.4231 | ↓ |
| clavulone derivatives | 446.2305 | 11 | H | 447.2428487 | 2.4219 | ↑ |
| 6B-Hydroxybudesonide | 446.2305 | 11 | ||||
| ethyl-1-(2,4,6-trihydroxy-3-isobutyrylphenyl)butyl]-4-cyclohexene-1,3-dione | 446.2304 | 11 | ||||
| 1-heptadecanoyl-sn-glycerol 3-phosphate | 424.259 | 11 | Na | |||
| Phosphatidic acid | 424.259 | 11 | ||||
| 426.3269309 | 2.4128 | ↓ | ||||
| 544.3290849 | 2.391 | ↑ | ||||
| 608.3555145 | 2.3803 | ↓ | ||||
| 2,3-diacetoxy-7,8-epoxy-24,29-dinor-1,3,5-friedelatriene-20-carboxylic acid | 13 | 13 | Na | 575.3056708 | 2.3351 | ↑ |