Table 2.
Metabolite | 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 | ||||||
Serine | 1350 | 204.1 | 7.82 | 211.44 | 1.95 × 10−7 | 173.01 | 1.97 × 10−4 | 264.67 | 9.31 × 10−4 | 11.6 | 1 |
Isoleucine | 1288 | 158.1 | 7.27 | 194.89 | 6.21 × 10−8 | 148.17 | 1.02 × 10−4 | 258.11 | 4.17 × 10−4 | 13.3 | 1 |
Threonine | 1375 | 291.2 | 8.04 | 192.66 | 1.84 × 10−9 | 178.06 | 1.77 × 10−5 | 213.14 | 3.99 × 10−4 | 8.84 | 1 |
Leucine | 1261 | 158.1 | 7.05 | 191.17 | 2.17 × 10−8 | 195.86 | 2.06 × 10−5 | 219.21 | 9.81 × 10−5 | 33.4 | 1 |
Methionine | 1515 | 176.1 | 9.25 | 184.73 | 1.05 × 10−8 | 173.84 | 4.87 × 10−5 | 196.27 | 6.61 × 10−4 | 9.4 | 1 |
Glutamine | 1723 | 156.0 | 10.81 | 146.47 | 3.63 × 10−11 | 228.76 | 1.19 × 10−6 | 121.57 | 2.09 × 10−4 | 12.1 | 1 |
Valine | 1206 | 144.1 | 6.57 | 107.94 | 1.82 × 10−7 | 81.72 | 4.17 × 10−5 | 143.93 | 7.04 × 10−4 | 10.5 | 1 |
Glycine | 1303 | 174.1 | 7.41 | 91.06 | 1.06 × 10−8 | 71.84 | 4.41 × 10−6 | 118.73 | 4.38 × 10−5 | 25.5 | 1 |
Phenylalanine | 1630 | 192.1 | 10.13 | 84.99 | 4.24 × 10−7 | 57.00 | 5.02 × 10−5 | 123.75 | 6.26 × 10−4 | 9.0 | 1 |
Tyrosine | 1931 | 218.1 | 12.34 | 70.60 | 2.04 × 10−8 | 61.11 | 3.35 × 10−5 | 83.72 | 6.62 × 10−4 | 9.9 | 1 |
Proline | 1298 | 142.1 | 7.28 | 57.90 | 2.34 × 10−6 | 57.05 | 4.11 × 10−4 | 63.12 | 3.40 × 10−3 | 35.7 | 1 |
Aminobutyric acid | 1161 | 130.1 | 6.17 | 56.53 | 3.81 × 10−8 | 31.51 | 1.03 × 10−4 | 120.84 | 1.11 × 10−3 | 9.5 | 1 |
Asparagine | 1668 | 231.1 | 10.40 | 42.83 | 2.29 × 10−9 | 33.20 | 2.73 × 10−4 | 53.77 | 3.84 × 10−4 | 6.4 | 1 |
Cystine | 2289 | 266.1 | 14.51 | 36.43 | 3.56 × 10−4 | 22.89 | 5.40 × 10−3 | 54.72 | 1.04 × 10−2 | 30.8 | 2 |
Nitrophenyl Glucuronide | 2344 | 375.2 | 14.80 | 35.02 | 2.99 × 10−6 | 30.66 | 2.61 × 10−4 | 43.74 | 2.19 × 10−3 | 7.9 | 3 |
Pyroglutamate | 1523 | 156.0 | 9.31 | 32.84 | 2.00 × 10−15 | 30.31 | 7.63 × 10−9 | 35.14 | 4.62 × 10−6 | 13.6 | 2 |
Tryptophan | 2216 | 202.1 | 14.13 | 26.01 | 2.82 × 10−7 | 29.54 | 3.95 × 10−4 | 26.53 | 1.50 × 10−3 | 16.2 | 2 |
Aminomalonic acid | 1461 | 320.1 | 8.79 | 17.40 | 1.19 × 10−2 | 10.32 | 1.90 × 10−2 | 27.11 | 5.15 × 10−3 | 27.6 | 2 |
Alanine | 1360 | 262.1 | 7.83 | 17.39 | 8.68 × 10−7 | 10.94 | 6.45 × 10−4 | 27.21 | 9.58 × 10−4 | 14.2 | 2 |
Ornithine | 1609 | 142.1 | 9.96 | 17.05 | 7.26 × 10−7 | 11.50 | 3.04 × 10−4 | 24.80 | 1.17 × 10−3 | 31.7 | 2 |
Phenaceturic acid | 1896 | 250.1 | 12.10 | 14.05 | 1.48 × 10−8 | 10.33 | 4.10 × 10−5 | 18.88 | 4.06 × 10−4 | 10.0 | 3 |
Asparagine ester | 1618 | 216.1 | 10.03 | 12.80 | 4.86 × 10−4 | 16.42 | 1.98 × 10−2 | 12.93 | 3.24 × 10−2 | 31.1 | 2 |
Cresol glucuronide | 2405 | 375.2 | 15.21 | 8.80 | 9.91 × 10−6 | 5.51 | 8.41 × 10−4 | 13.93 | 1.75 × 10−3 | 5.9 | 3 |
Glutamic acid | 1614 | 246.1 | 9.99 | 7.38 | 2.94 × 10−7 | 5.74 | 1.49 × 10−5 | 9.44 | 6.22 × 10−3 | 9.6 | 1 |
5 Hydroxy Indole | 1719 | 277.1 | 10.79 | 5.89 | 1.02 × 10−7 | 5.70 | 2.88 × 10−5 | 5.79 | 6.50 × 10−3 | 26.1 | 2 |
Lysine | 1908 | 230.1 | 12.19 | 5.18 | 3.24 × 10−4 | 3.50 | 2.19 × 10−3 | 7.49 | 1.74 × 10−2 | 6.3 | 1 |
Histidine | 1915 | 154.1 | 12.23 | 4.05 | 6.41 × 10−5 | 5.71 | 1.40 × 10−3 | 3.18 | 2.66 × 10−2 | 31.9 | 1 |
Glutaric acid 3 hydroxy | 1596 | 247.1 | 9.86 | 2.82 | 2.01 × 10−3 | 2.30 | 2.05 × 10−2 | 3.17 | 1.27 × 10−1 | 12.7 | 2 |
Serine N-acetyl | 1499 | 261.1 | 9.13 | 2.22 | 2.30 × 10−3 | 1.82 | 1.74 × 10−2 | 2.86 | 1.10 × 10−2 | 11.1 | 2 |
Adipic acid | 1498 | 186.0 | 9.13 | 2.19 | 2.79 × 10−3 | 1.94 | 1.33 × 10−2 | 2.70 | 1.46 × 10−2 | 8.7 | 2 |
Alanine beta | 1423 | 174.1 | 8.46 | 1.65 | 4.35 × 10−2 | 1.10 | 8.15 × 10−1 | 2.48 | 3.17 × 10−2 | 34.3 | 1 |
3hydroxyphenyl acetic acid | 1614 | 164.0 | 9.98 | 1.63 | 1.27 × 10−2 | 1.38 | 3.18 × 10−1 | 1.90 | 3.30 × 10−2 | 13.1 | 2 |
Putrescine | 1739 | 174.1 | 10.93 | 0.98 | 9.64 × 10−1 | 2.36 | 7.55 × 10−3 | 1.12 | 8.10 × 10−1 | 12.5 | 1 |
Succinic acid | 1311 | 247.1 | 7.47 | 0.73 | 2.00 × 10−1 | 0.80 | 5.86 × 10−1 | 0.54 | 1.80 × 10−2 | 20.8 | 1 |
Quinolone 2 carboxylic acid | 2262 | 406.2 | 14.37 | 0.55 | 1.17 × 10−2 | 0.57 | 1.50 × 10−1 | 0.62 | 3.86 × 10−2 | 21.9 | 2 |
Butyrylglycine | 1447 | 158.1 | 8.66 | 0.52 | 1.12 × 10−2 | 0.38 | 6.22 × 10−3 | 0.70 | 8.70 × 10−2 | 15.8 | 2 |
Thymine | 1397 | 270.1 | 8.24 | 0.48 | 5.57 × 10−3 | 0.47 | 1.46 × 10−1 | 0.56 | 4.23 × 10−2 | 30.2 | 2 |
Hexanoylglycine | 1644 | 158.1 | 10.23 | 0.39 | 2.96 × 10−3 | 0.40 | 1.26 × 10−2 | 0.45 | 1.72 × 10−2 | 22.9 | 2 |
Allantoin | 1876 | 188.0 | 11.96 | 0.26 | 5.08 × 10−3 | 0.19 | 7.09 × 10−2 | 0.37 | 4.23 × 10−2 | 29.2 | 2 |
Taurine | 1672 | 326.1 | 10.44 | 0.24 | 6.57 × 10−3 | 0.28 | 1.84 × 10−1 | 0.13 | 2.07 × 10−3 | 14.7 | 2 |
Fold changes (FC) 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.