GC-Autofit Calibration
Settings
Library Pipeline: Equations
Internal Standard: Tropic acid (ISTD)
Biofluid: Urine
Blank Provided: true
Number of Samples: 11
MF Score Cut Off: 400.0
Date: 2025-07-24 14:19:07 UTC
Runtime: 2.09 minutes 5.7 seconds
Status
| 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 |