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: 2025-06-09 16:28:30 UTC
Runtime: 1.57 minutes 34.21 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) |
|---|---|---|---|---|---|---|---|---|---|---|---|
| Ethylmalonic acid | Ethylmalonic acid 2TMS | 15.86 | 1292.5 | NA||NA||NA | NA||0.07 | NA||2.02 | 1.0 | 1.0 | 0.010998116980762007 0.03868830049400635 0.12907945286268901 0.48537597637907254 1.0302223574851308 1.835989641152993 3.489731322128266 4.001540419261771 | 0.007 0.02 0.059 0.178 0.444 0.8 1.667 2.0 | |
| Fumaric Acid | Fumaric Acid 2TMS | 17.47 | 1361.81 | NA||NA||NA | NA||1.39 | NA||-0.17 | 0.0 | -0.17 | 0.015380994288183547 0.0758680264965584 0.2072108662079975 1.0642235348886409 3.3037169744624215 5.930938755159173 0.037876844004338814 0.030589999850289405 | 0.003 0.01 0.03 0.089 0.222 0.4 0.833 1.0 | |
| Glutaric acid | Glutaric acid 2TMS | 18.72 | 1415.14 | NA||NA||NA | NA||0.14 | NA||3.02 | 0.95 | 0.95 | 0.016833022235437405 0.04961918050546567 0.18706922710478172 0.6025501463905135 1.5352225110531996 3.0364707495465093 6.03801246158281 5.252144910311398 | 0.007 0.02 0.059 0.178 0.444 0.8 1.667 2.0 | |
| L-Malic acid | L-Malic acid 3TMS | 20.71 | 1508.91 | NA||NA||NA | NA||-0.02 | NA||1.06 | 0.99 | 0.99 | 0.0014156670369149355 0.007693357050635549 0.017493307211877373 0.12533742683897076 0.4344272090522013 0.8437847999002929 1.9123461346445076 1.9417953969816777 | 0.007 0.02 0.059 0.178 0.444 0.8 1.667 2.0 | |
| Adipic acid | Adipic acid 2TMS | 20.88 | 1517.04 | NA||NA||NA | NA||0.49 | NA||3.76 | 0.96 | 0.95 | 0.03306534582909184 0.10835002578946172 0.3813655016875476 1.2236241081004684 2.839859288628705 4.698839390640465 6.586969351891125 7.541344290121885 | 0.007 0.02 0.059 0.178 0.444 0.8 1.667 2.0 | |
| Pyroglutamic acid | Pyroglutamic acid 2TMS | 21.23 | 1535.71 | NA||NA||NA | NA||0.46 | NA||2.67 | 0.62 | 0.55 | 0.00863951805907742 0.02839386909023789 0.13526660719859285 0.7615659525895098 2.0490064375964545 3.9049546566396867 7.715899610026847 2.8662564792099348 | 0.007 0.02 0.059 0.178 0.444 0.8 1.667 2.0 | |
| Tiglylglycine | Tiglylglycine 1TMS | 22.1 | 1579.33 | NA||NA||NA | NA||0.29 | NA||2.66 | 0.82 | 0.79 | 0.007947525837869113 0.03189163890201494 0.11856149062080022 0.4611089416083968 1.2244062845677275 2.251860653992701 2.7667066721444797 2.2985923922241027 | 0.003 0.01 0.03 0.089 0.222 0.4 0.833 1.0 | |
| Oxoglutaric acid | Oxoglutaric acid 2TMS | 22.43 | 1595.27 | NA||NA||NA | NA||-0.0 | NA||2.86 | 1.0 | 1.0 | 0.0033221038447557604 0.012463878177705952 0.051431631484764595 0.2417179558735153 0.6634705396428439 1.1884992997899668 2.344005404609743 | 0.003 0.01 0.03 0.089 0.222 0.4 0.833 | |
| Suberic acid | Suberic acid 2TMS | 24.56 | 1709.29 | NA||NA||NA | NA||0.03 | NA||3.9 | 1.0 | 1.0 | 0.008376336802399829 0.029639897993791107 0.1051178190667089 0.3720502858161521 0.9728878027430035 1.6937727337997912 3.328732562135256 3.837909804419965 | 0.003 0.01 0.03 0.089 0.222 0.4 0.833 1.0 | |
| Methylmalonic acid | Methylmalonic acid 2TMS | 14.18 | 1229.98 | NA||NA||NA | NA||0.03 | NA||1.09 | 1.0 | 1.0 | 0.0483520857106066 0.23659571702620738 0.518939771043823 0.9362521851868544 1.8469870934553172 2.1966544481638985 | 0.059 0.178 0.444 0.8 1.667 2.0 | |
| 2-Hydroxyglutaric Acid | 2-Hydroxyglutaric acid 3TMS | 22.5 | 1598.52 | NA||NA||NA | NA||-0.91 | NA||2.06 | 1.0 | nan | 0.0013637593339953387 3.209072746692015 | 0.444 2.0 |