metabolite_name S00020243 S00020244 S00020245 S00020246 S00020247 S00020248 S00020249 S00020250 S00020251 S00020252 S00020253 S00020254 S00020255 S00020256 S00020257 S00020258 S00020259 S00020260 S00020261 S00020262 S00020263 S00020264 S00020265 S00020266 S00020267 S00020268 S00020269 PROPIONIC ACID 503.3478276 523.8848713 707.9677146 363.0752187 178.5520613 483.8878378 452.9515836 267.5304407 269.7836212 651.045547 305.9988966 308.6117323 545.4309088 476.8557325 162.9505447 741.1540362 249.7651507 1147.515742 513.6404655 566.1160604 672.3480898 432.856912 418.0348445 265.5052942 947.068355 312.0848175 1274.110248 ISOVALERIC ACID 46.81503202 30.77317655 30.54546003 16.18716407 12.15919918 43.06839876 33.59880108 17.00783442 17.90537551 47.62643997 23.14205556 14.45655072 43.17985218 40.04165474 11.41821079 38.46445531 23.43245066 56.70890005 32.41353056 27.5558732 49.2557918 41.27887872 20.90261302 23.76344822 64.00054567 33.7691255 59.81843856 ACETIC ACID 4213.710804 5003.468344 6035.887104 2694.283822 1172.681607 3663.860009 2968.787782 1933.217247 2692.972177 4876.610373 1607.648566 1736.859148 7822.820628 4600.185427 2127.141704 4430.971642 1596.9157 3178.432703 2856.572447 3242.189138 4179.838412 2186.781859 2759.458294 2013.829649 6845.078594 3177.046879 4911.362656 BUTYRIC ACID 730.1929011 644.5319385 1257.98545 367.7634653 142.105403 743.2932485 379.3382974 242.8659168 393.078962 939.402578 206.1531233 155.7370107 1680.549574 874.4044111 262.3356427 499.8765221 228.2306963 479.0903963 435.9336884 351.5364466 951.0576194 439.6376455 546.664613 360.0469119 1592.632689 462.4210849 1325.933319 OCTANOIC ACID 1.758823766 .63928333 1.354613115 .354870639 .585897003 .847607891 .904127837 1.763512716 .857056182 .751140775 .327017114 .849846436 .681739754 1.115710837 .81544166 .86047552 .702023221 .525199116 .550991088 .758767324 1.287185335 .61723384 .770408755 1.052415876 .575046692 .567776369 .82839699 VALERIC ACID 81.34042051 79.36987306 101.2571199 24.62546315 14.79346484 54.81490143 44.407589 25.52441261 37.05711003 106.1646897 26.96538802 30.54091659 130.6975366 79.0554352 26.04023367 54.93863562 38.9647534 75.53039801 46.51255281 39.46273141 74.11545253 51.23476094 29.00073309 24.17581898 138.7837902 43.46951123 104.9057065 HEPTANOIC ACID 2.636469192 1.320231698 2.247030866 1.245057248 1.149596671 1.128672924 .789825574 1.284240158 1.167791324 1.072710322 .743233006 1.117656524 1.089760216 .796447652 .934342984 1.482016585 .595915301 .840532808 .679608409 1.64371542 2.069080877 1.429694024 .766420779 .973878715 1.143880033 .98126408 .824841565 HEXANOIC ACID 24.82610778 16.47013886 25.60117163 13.23405051 15.97992364 28.74611778 17.38176286 18.2343796 30.32713313 17.11523985 9.746530945 15.56141154 31.29252873 43.3288922 10.27826067 20.66935498 9.11040133 13.06264408 19.96977625 20.84449812 39.67363463 24.32931373 26.83108631 51.53610874 26.47386231 28.63696855 23.18615467 metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type PROPIONIC ACID 1032 ISOVALERIC ACID 10430 ACETIC ACID 176 BUTYRIC ACID 264 OCTANOIC ACID 379 VALERIC ACID 7991 HEPTANOIC ACID 8094 HEXANOIC ACID 8892