Table 5.
Metabolite ID | RI | Quant Ion (m/z) | Retention Time (min) | ko/wt | Females | Males | QC %RSD | ID Level | |||
---|---|---|---|---|---|---|---|---|---|---|---|
FC | p Value | FC | p Value | FC | p Value | ||||||
Unknown | 2606 | 254.1 | 16.07 | 23.59 | 3.65 × 10−2 | 10.39 | 1.06 × 10−2 | 29.42 | 6.05 × 10−2 | 13.7 | 4 |
p-cresol glucuronide | 2343 | 375.1 | 14.70 | 17.34 | 9.88 × 10−3 | 14.86 | 2.63 × 10−2 | 19.37 | 1.03 × 10−1 | 33.7 | 3 |
Indole 3 propionic acid | 2095 | 202.1 | 13.28 | 4.41 | 2.19 × 10−2 | 4.46 | 1.74 × 10−2 | 4.39 | 1.01 × 10−1 | 12.2 | 2 |
Phenaceturic acid | 1895 | 250.1 | 12.02 | 2.92 | 4.68 × 10−4 | 2.41 | 2.37 × 10−3 | 3.77 | 4.51 × 10−2 | 19.8 | 3 |
Proline | 1298 | 142.1 | 7.28 | 2.50 | 9.79 × 10−3 | 2.14 | 4.71 × 10−2 | 2.68 | 8.88 × 10−3 | 12.5 | 1 |
Xanthine | 2017 | 353.1 | 12.79 | 1.65 | 9.01 × 10−2 | 0.80 | 5.87 × 10−1 | 3.99 | 2.38 × 10−3 | 10.7 | 2 |
Histidine | 1914 | 254.1 | 12.14 | 1.47 | 3.17 × 10−2 | 1.21 | 2.19 × 10−1 | 1.67 | 1.18 × 10−2 | 14.4 | 1 |
Malate | 1474 | 233.1 | 8.83 | 1.47 | 4.16 × 10−2 | 1.33 | 3.54 × 10−1 | 1.57 | 2.51 × 10−2 | 11.6 | 1 |
Glutamic acid | 1613 | 246.1 | 9.90 | 1.43 | 9.44 × 10−2 | 0.89 | 7.04 × 10−1 | 2.12 | 6.80 × 10−3 | 7.2 | 1 |
Lysine | 1907 | 174.1 | 12.11 | 1.42 | 1.07 × 10−3 | 1.29 | 1.77 × 10−3 | 1.55 | 3.12 × 10−2 | 16.7 | 1 |
Ornithine | 1809 | 142.1 | 11.37 | 1.38 | 6.81 × 10−2 | 1.34 | 7.76 × 10−3 | 1.41 | 1.54 × 10−1 | 14.8 | 1 |
Glutamine | 1771 | 156.1 | 11.09 | 1.36 | 2.65 × 10−2 | 1.08 | 6.17 × 10−1 | 1.65 | 1.75 × 10−2 | 7.3 | 1 |
Myoinositol | 2009 | 305.1 | 12.75 | 1.28 | 3.29 × 10−2 | 1.05 | 6.16 × 10−1 | 1.52 | 1.88 × 10−2 | 14.1 | 1 |
Serine | 1350 | 218.1 | 7.74 | 1.25 | 6.11 × 10−2 | 1.11 | 4.09 × 10−1 | 1.37 | 4.94 × 10−2 | 13.5 | 1 |
Fumaric acid | 1347 | 245.1 | 7.70 | 1.16 | 4.80 × 10−1 | 0.60 | 6.17 × 10−2 | 1.73 | 4.80 × 10−3 | 13.9 | 1 |
Tyrosine | 1931 | 218.1 | 12.25 | 1.15 | 2.69 × 10−1 | 1.05 | 5.44 × 10−1 | 1.24 | 2.49 × 10−1 | 8.1 | 1 |
Phenylalanine | 1632 | 192.1 | 10.04 | 1.14 | 4.24 × 10−1 | 1.18 | 1.68 × 10−1 | 1.11 | 5.73 × 10−1 | 10.9 | 1 |
Stearic acid | 2242 | 341.3 | 14.16 | 0.95 | 4.59 × 10−1 | 0.81 | 2.63 × 10−2 | 1.08 | 3.09 × 10−1 | 7.2 | 1 |
Octadecanol | 2143 | 327.2 | 13.58 | 0.92 | 3.47 × 10−1 | 0.77 | 1.20 × 10−2 | 1.04 | 6.70 × 10−1 | 18.1 | 2 |
Leucine | 1265 | 158.2 | 6.99 | 0.90 | 4.80 × 10−1 | 1.09 | 6.24 × 10−1 | 0.79 | 9.38 × 10−2 | 14.1 | 1 |
Valine | 1208 | 144.1 | 6.49 | 0.86 | 3.00 × 10−1 | 0.96 | 7.71 × 10−1 | 0.80 | 1.05 × 10−1 | 13.2 | 1 |
Isoleucine | 1288 | 158.2 | 7.19 | 0.81 | 1.42 × 10−1 | 0.94 | 6.46 × 10−1 | 0.73 | 5.65 × 10−2 | 13.4 | 1 |
Glucose | 1876 | 217.1 | 11.88 | 0.78 | 4.77 × 10−4 | 0.72 | 1.59 × 10−2 | 0.85 | 3.54 × 10−3 | 8.7 | 1 |
Uric acid | 2088 | 441.2 | 13.24 | 0.77 | 8.27 × 10−2 | 0.94 | 7.73 × 10−1 | 0.67 | 1.02 × 10−2 | 8.7 | 1 |
Threonine | 1376 | 291.1 | 7.96 | 0.73 | 1.65 × 10−2 | 0.69 | 5.60 × 10−2 | 0.76 | 8.27 × 10−2 | 16.5 | 1 |
Glycerol | 1262 | 205.1 | 6.96 | 0.70 | 4.83 × 10−3 | 0.60 | 3.69 × 10−3 | 0.81 | 2.82 × 10−1 | 9.2 | 1 |
Palmitic acid | 2046 | 313.2 | 12.97 | 0.69 | 7.69 × 10−3 | 0.55 | 2.10 × 10−2 | 0.84 | 3.14 × 10−1 | 11.1 | 1 |
Linoleic acid | 2210 | 337.2 | 14.00 | 0.67 | 2.32 × 10−2 | 0.52 | 1.85 × 10−2 | 0.81 | 3.61 × 10−1 | 10.1 | 1 |
Tryptophan | 2215 | 202.1 | 14.03 | 0.64 | 4.44 × 10−4 | 0.47 | 1.10 × 10−3 | 0.84 | 1.32 × 10−1 | 12.1 | 1 |
Cysteine | 1550 | 220.1 | 9.42 | 0.63 | 1.8 × 10−2 | 0.71 | 1.10 × 10−1 | 0.58 | 4.76 × 10−2 | 24.1 | 1 |
11-cis-Octadecenoic acid | 2215 | 339.2 | 14.03 | 0.43 | 3.24 × 10−3 | 0.35 | 2.43 × 10−2 | 0.54 | 1.19 × 10−1 | 9.9 | 2 |
Oleic acid | 2748 | 397.3 | 16.82 | 0.36 | 2.88 × 10−3 | 0.44 | 9.66 × 10−2 | 0.29 | 2.81 × 10−2 | 18.9 | 2 |
cis-9-Hexadecenoic acid | 2026 | 311.2 | 12.85 | 0.19 | 1.10 × 10−2 | 0.16 | 2.56 × 10−2 | 0.22 | 2.05 × 10−1 | 10.2 | 2 |
Fold changes are listed by genotype and gender. Metabolite ID levels indicate the confidence of identification, where 1: Confirmed identification with standard, 2: Putative identification with base peak (Quant) ion (m/z) and Kovats retention index (RI), 3: NIST reference spectra match score of greater than 700, and 4: unknown.