Compound,CompoundWithTMS,avg_Target_EIC_RT_min,Avg_RI,a||b||c,Intercept(High||Low),Slope(High||Low),RSquared,RSquaredAdj,Peak Area Ratios,Theoretical Concentrations,Concentration_threshold(uM)
2-Hydroxyisovaleric Acid,2-Hydroxyisovaleric Acid,12.75,1179.4,NA||NA||NA,NA||0.04,NA||14.16,0.98,0.98,0.021591982208446558 0.07322640744410941 0.28065774405883503 1.404124154064441 3.7342866899618845 5.385371105160023,0.003 0.01 0.03 0.089 0.222 0.4
2-oxo-3-methylvaleric acid,2-oxo-3-methylvaleric acid - Peak1,13.17,1192.29,NA||NA||NA,NA||0.03,NA||0.16,0.59,0.53,0.0006373994525270387 0.003239674980479473 0.007403574447779825 0.04439116193711983 0.11655415870553698 0.08259721621030819 0.20261569978368799 0.21482166066417843 0.0939316139925569,0.003 0.01 0.03 0.089 0.222 0.4 0.641 0.833 1.0
Maleic,Maleic,16.44,1316.7,NA||NA||NA,NA||0.01,NA||2.2,1.0,1.0,0.0033849456091800665 0.01053465962814066 0.0702002171284686 0.41665950990118106 1.1354415883160707 1.8976628975718846 2.639899280866531 3.755287746134048 4.381760262583272,0.007 0.02 0.059 0.178 0.444 0.8 1.282 1.667 2.0
Succinic acid,Succinic acid,16.64,1325.81,NA||NA||NA,NA||-0.01,NA||2.56,1.0,1.0,0.0029405250346891854 0.009522158085493096 0.06229397643058871 0.3548484088902176 0.9365332669382053 1.527406368911888 2.287701490785093 3.353238339784091 3.7862269022636372,0.005 0.015 0.044 0.133 0.333 0.6 0.962 1.25 1.5
2-Hydroxybenzoic acid(salicylic acid),2-Hydroxybenzoic acid(salicylic acid) (1TMS),17.31,1355.09,NA||NA||NA,NA||-0.0,NA||0.01,0.93,0.9,1.650730042775648e-05 0.0017256452064954412 0.006028536453278752 0.007367217540011097,0.005 0.311 0.56 0.897
5-hydroxyhexanoic,5-hydroxyhexanoic 2tms,17.65,1369.52,NA||NA||NA,NA||0.27,NA||0.52,0.24,0.13,0.011294547165447399 0.03865477838963201 0.1090484437042465 0.37431934065363626 0.830667257920206 0.6197003655583833 1.0522564713732816 0.923707633811386 0.18047213954522276,0.003 0.01 0.03 0.089 0.222 0.4 0.641 0.833 1.0
2-Hydroxybenzoic acid(salicylic acid),2-Hydroxybenzoic acid(salicylic acid) (2TMS),20.97,1522.09,NA||NA||NA,NA||0.54,NA||4.81,0.86,0.83,0.030632394447289706 0.11212324603598897 0.3507482105159055 2.0445339253650117 3.0160187837470014 3.196637519494433 4.451455591458785,0.005 0.014 0.041 0.124 0.311 0.56 0.897
O-Hydroxyphenylacetic acid,O-Hydroxyphenylacetic acid,22.15,1580.72,NA||NA||NA,NA||0.15,NA||3.0,0.99,0.99,0.016134855912465516 0.059161416431307894 0.17051423044823727 0.7019983441522116 1.787849148227935 2.852404759128181 3.9748544797030108 5.363122372331292 5.825535815970862,0.007 0.02 0.059 0.178 0.444 0.8 1.282 1.667 2.0
p-Hydroxyphenylacetic acid,p-Hydroxyphenylacetic acid 2TMS,23.48,1651.12,NA||NA||NA,NA||0.63,NA||3.69,0.91,0.9,0.027631436343045133 0.1025019063664932 0.30550183894080846 1.2476203347606298 3.070551095710991 4.952047551505992 6.359282984390488 6.661389918620095 6.789316038433737,0.007 0.02 0.059 0.178 0.444 0.8 1.282 1.667 2.0
trans-Aconitic acid,trans-Aconitic acid (3TMS),25.65,1771.12,NA||NA||NA,NA||0.49,NA||2.29,0.46,0.39,0.0016890596797476437 0.01490697200672246 0.06041545452955217 0.7075306993625025 2.4313077796137494 4.163200108849518 5.2013636637875456 0.08390006803158555 6.563890744811105,0.007 0.02 0.059 0.178 0.444 0.8 1.282 1.667 2.0
Homovanillic acid,Homovanillic acid 2TMS,25.93,1787.51,NA||NA||NA,NA||0.08,NA||6.35,0.99,0.99,0.010164376040832227 0.04360293185555232 0.14396435450375553 0.6428992152696132 1.6909278359566393 2.9241836552370026 3.9959244446568003 5.563942579682729 6.2142259723278235,0.003 0.01 0.03 0.089 0.222 0.4 0.641 0.833 1.0
1H-Indole-3-acetic acid,1H-Indole-3-acetic acid (2TMS),29.09,1977.12,NA||NA||NA,NA||0.08,NA||0.11,0.22,0.11,0.004139608529563771 0.01544213524569137 0.06518025453833935 0.2579406588335326 0.1341484705731138 0.0571802863456559 0.128925749184608 0.18862247481780048 0.17298471280428152,0.003 0.01 0.03 0.089 0.222 0.4 0.641 0.833 1.0
2-oxo-3-methylvaleric acid,2-oxo-3-methylvaleric acid - Peak2,13.78,1214.37,NA||NA||NA,NA||0.0,NA||0.25,0.81,0.78,0.00079833708318383 0.0024778115040105606 0.01772788334898834 0.05619392909095625 0.1013643362542443 0.19362739555079486 0.297864646995705 0.16970124458755342,0.01 0.03 0.089 0.222 0.4 0.641 0.833 1.0
Citric Acid,Citric Acid 4TMS,26.98,1849.55,NA||NA||NA,NA||0.02,NA||0.85,0.68,0.63,0.0040925197311912865 0.021294412928340868 0.16119030100788667 0.5338784744855691 1.1093987015315117 0.6210806387775215 0.742401566372279 2.388230860715679,0.02 0.059 0.178 0.444 0.8 1.282 1.667 2.0
1H-Indole-3-acetic acid,1H-Indole-3-acetic acid (1TMS),28.22,1923.62,NA||NA||NA,NA||0.05,NA||1.52,0.96,0.96,0.005223229029616981 0.06710742274250539 0.57550830000216 0.6897250282627194 1.0359566070468398 1.3633674857193976 1.4664887417142067,0.03 0.089 0.222 0.4 0.641 0.833 1.0
