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. 2018 Jun 18;9:1273. doi: 10.3389/fmicb.2018.01273

Table 4.

Changes in rumen and urine metabolites detected by LC-MS/ToF and NMR between control and treated lambs at 20 weeks.

Metabolite Matrix VIP Change P-value tR (min) [M+H]+ exptl. Δm/z in ppm
LC-MS
M12 Rumen 2.1 <0.001 3.4 215.10263 -0.9
M13 Rumen 2.1 <0.001 3.9 229.11750 -3.4
M10 Rumen 1.9 <0.001 2.9 199.10883 5.6
M9 Rumen 1.9 <0.001 2.5 185.09282 4.0
M14 Rumen 1.8 <0.001 5.2 245.11298 -0.9
M8 Rumen 1.7 <0.001 2.2 169.09685 -1.8
M11 Rumen 1.7 <0.001 11 201.12390 2.6
Choline Rumen 1.0 <0.001 18.8 104.10701 0.2
3-Deoxycarnitine Rumen 1.0 <0.001 18.2 146.11749 3.9
Pipecolic acid Rumen 1.0 <0.001 13.2 130.08677 -0.4

Trimethylamine N-oxide Urine 1.4 <0.001 16.6 76.07569 -2.5
Taurine Urine 1.1 <0.001 7.8 126.02194 -0.5

Metabolite Matrix VIP Change P-value Chemical shifts (ppm)

NMR
Acetic acid Rumen 4.2 N/A 1.93
Suberic acid Rumen 2.6 N/A 1.30/1.55/2.16
C-Alanine Rumen 1.5 N/A 1.49/3.80
Butyric acid Rumen 1.4 N/A 0.90/1.56/2.16
p-Hydroxyphenylacetic acid Rumen 1.3 N/A 3.46/6.88/7.17
Isobutyric acid Rumen 1.0 N/A 1.06/2.39
Malic acid Rumen 0.9 N/A 2.39/2.67/4.31
Phenylacetic acid Rumen 0.9 N/A 3.54/7.30/7.39

Phenylacetylglycine Urine 1.8 N/A 3.68/3.75/7.35/7.40
Citrate Urine 1.6 N/A 2.51/2.68
p-Hydroxyphenylacetic acid Urine 1.6 N/A 4.02
Hippurate Urine 1.5 N/A 3.95/7.54/7.62/7.82
Ureidopropionic acid Urine 1.5 N/A 2.39/3.32
Acetate Urine 1.4 N/A 1.93
Betaine Urine 1.4 N/A 3.26/3.91
Lactate Urine 1.4 N/A 1.34/4.14
Pimelic acid Urine 1.4 N/A 1.29/1.54/2.17
Choline Urine 1.2 N/A 3.52
Isovalerylglycine Urine 1.2 N/A 0.94/2.00/2.17
Trimethylamine Urine 1.2 N/A 3.28
Creatine Urine 0.8 N/A 3.03/3.91

Change in treated compared to non-treated. N/A, not applicable because the signals for each molecule are split in several small fractions. Also named 4-Trimethylammoniobutanoic acid.