Research Article
Effects of Diacetyl Flavoring Exposure in Mice Metabolism
Table 1
Coefficients of determination, equations, retention time (
), MS, MS/MS, LD, LQ, linear range, CV, V, and IS.
| Metabolites | R2 | Equation | tR | MS | MS/MS | LD | LQ | Linear range | CV | V | IS |
| 5-HT | 1 | y = 0.015x- 0.020 | 1.27 | 241 | 60 | 0.42 | 1.40 | 5.00-400.00 | 28 | 18 | Serotonin D4 | Ala | 1 | y = 0.007x - 0.037 | 1.62 | 225 | 44 | 0.05 | 0.18 | 20.00 - 600.00 | 22 | 10 | Orn D6 | Ac-orn | 0.99 | y = 30.165x - 10.120 | 1.12 | 310 | 217 | 0.01 | 0.06 | 0.50 - 40.00 | 32 | 24 | Orn D6 | ADMA | 0.92 | y = 0.0168x +-0.001 | 1.29 | 338 | 46 | 0.07 | 0.20 | 0.25 - 20.00 | 22 | 14 | Ala D4 | Arg | 0.99 | y = 0.015x + 0.048 | 1.12 | 310 | 217 | 0.03 | 0.10 | 5.00 - 400.00 | 34 | 14 | Arg 15N2 | Asn | 1 | y = 0.0149x + 0.024 | 1.18 | 268 | 87 | 0.01 | 0.05 | 5.00 - 400.00 | 20 | 16 | Asn 15N2 | Asp | 0.99 | y = 0.010x - 0.987 | 1.41 | 269 | 116 | 0.01 | 0.03 | 5.00 - 400.00 | 24 | 14 | Asp D3 | Car | 1 | y = 0.010x + 0.001 | 1.00 | 362 | 136 | 0.08 | 0.26 | 0.50 - 40.00 | 24 | 34 | His 13C6 | Cit | 1 | y = 0.021x + 0.007 | 1.33 | 311 | 113 | 1.13 | 3.78 | 5.00 - 400.00 | 22 | 24 | Cit 13C D4 | Cre | 0.99 | y = 0.008x + 0.041 | 0.16 | 114 | 44 | 0.72 | 2.42 | 10.00 - 800.00 | 32 | 14 | Creatinine D3 | Dopa | 0.99 | y = 0.218x - 0.085 | 1.33 | 333 | 198 | 0.16 | 0.55 | 0.50 - 40.00 | 26 | 12 | Dopa D3 | Gln | 1 | y = 0.019x + 0.006 | 1.22 | 282 | 130 | 0.03 | 0.12 | 20.00-1600.00 | 22 | 16 | Gln D5 | Glu | 0.99 | y = 0.012x + 0.030 | 1.42 | 283 | 130 | 1.29 | 4.30 | 10.00 - 800.00 | 26 | 16 | Glu D3 | Gly | 1 | y = 0.002x + 0.004 | 1.29 | 211 | 76 | 0.10 | 0.35 | 25.00- 2000.00 | 22 | 10 | Gly 13C2 15N | His | 1 | y = 0.018x + 0.004 | 1.00 | 291 | 110 | 0.76 | 2.55 | 5.00 - 400.00 | 22 | 22 | His 13C6 | Hst | 0.97 | y= 0.110x - 0.078 | 1.01 | 247 | 154 | 0.03 | 0.11 | 5.00 - 400.00 | 22 | 12 | His 13C6 | Ile | 1 | y = 0.001x - 0.001 | 2.51 | 267 | 69 | 0.15 | 0.52 | 5.00 - 400.00 | 24 | 28 | Ile 13C6 | Kyn | 0.99 | y = 0.024x + 0.004 | 2.43 | 344 | 146 | 0.08 | 0.27 | 1.00 - 80.00 | 22 | 24 | Tyr D4 | Leu | 0.99 | y = 2.542 eā 005x + 2.791 eā 006 | 2.51 | 267 | 43 | 0.06 | 0.02 | 5.00 - 400.00 | 24 | 38 | Ile 13C6 | Lys | 0.99 | y = 0.037x - 0.512 | 2.50 | 417 | 324 | 0.07 | 0.26 | 10.00 - 800.00 | 26 | 12 | Orn D6 | Met | 1 | y = 0.017x - 0.002 | 2.14 | 285 | 104 | 0.21 | 0.73 | 5.00 - 400.00 | 22 | 18 | Met D3 | Met-So | 0.98 | y = 0.025x + 0.0435 | 1.34 | 301 | 88 | 0.01 | 0.05 | 1.00 - 80.00 | 18 | 30 | Met D3 | Orn | 0.98 | y = 0.046x - 0.212 | 2.38 | 403 | 310 | 0.002 | 0.01 | 5.00 - 400.00 | 24 | 12 | Orn D6 | Phe | 0.99 | y = 0.015x + 0.068 | 2.56 | 301 | 120 | 0.006 | 0.02 | 5.00 - 400.00 | 24 | 20 | Phe D5 | Pro | 0.99 | y = 0.012x + 0.105 | 1.61 | 251 | 70 | 0.04 | 0.14 | 5.00 - 400.00 | 26 | 20 | Pro D7 | Put | 0.97 | y=-0.033x +0.270 | 2.55 | 266 | 114 | 0,94 | 3.15 | 0.10 - 8.00 | 26 | 12 | Putrescine D4 | Sar | 1 | y= 2.68x - 0.157 | 1.62 | 225 | 90 | 0.03 | 0.10 | 1.00 - 80.00 | 20 | 10 | Sarcosine D3 | T4-OH-Pro | 0.99 | y= 0.009x - 0.005 | 1.29 | 267 | 132 | 0.01 | 0.06 | 1.00 - 80.00 | 24 | 14 | Pro D7 | Tau | 0.91 | y= 0.016 x + 0.035 | 1.00 | 261 | 126 | 0.03 | 0.10 | 2.50 - 200.00 | 30 | 14 | Taurine 13C2 | Thr | 1 | y = 0.020x + 0.020 | 1.53 | 255 | 73 | 0.07 | 0.26 | 5.00 - 400.00 | 22 | 18 | Thr13C4 15N | Trp | 1 | y = 0.015x - 0.015798 | 2.48 | 317 | 136 | 0.01 | 0.05 | 5.00 - 400.00 | 26 | 16 | Trp 15N2 | Tyr | 1 | y= 0.0258201x +0.0219755 | 1.94 | 340 | 188 | 0.003 | 0.01 | 5.00 - 400.00 | 26 | 22 | Tyr D4 | Val | 0.99 | y = 0.013x + 0.021 | 2.21 | 2534 | 72 | 0.01 | 0.06 | 10.00 - 800.00 | 24 | 16 | Val D8 |
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