elps5470-sup-0001-TableS1-S3

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Metabolomics analysis of muscle from piglets fed low protein diets supplemented
with branched chain amino acids using HPLC-high resolution MS
Xian Wang1*, Hongkui Wei2*, Jingjing Cao3, Zhen Li3, Pingli He1**
1State
Key Laboratory of Animal Nutrition, College of Animal Science and Technology, China
Agricultural University, Beijing, 100193, P. R. China
2 Department
of Animal Nutrition and Feed Science, College of Animal Science and Technology,
Huazhong Agricultural University, Wuhan 430070, P. R. China
3State
Key Laboratory of Plant Physiology and Biochemistry, College of Biological Sciences,
China Agricultural University, Beijing, 100193, P. R. China
*Xian Wang and Hongkui Wei contributed equally to this work
**Corresponding author. State Key Laboratory of Animal Nutrition, College of Animal Science
and Technology, China Agricultural University, Beijing, 100193, China
E-mail address: hepingli@cau.edu.cn.
Tel: + 86-10-62733588; fax: +86-10-62733688.
Table S1. Amino acids concentration in muscle of piglets with different diets (nmol/mg)
SEM1
Diets
NP1
LP2
Methionine
137.53b
Threonine
P value
LP+BCAA
LP+2BCAA
117.68b
285.95a
318.36a
25.91
<.0001
260.71b
250.54b
338.18b
472.74a
33.10
0.001
Tryptophan
3051.99
2475.47
2547.51
2739.75
805.64
0.96
Valine
190.39
202.69
206.17
228.42
22.71
0.70
Isoleucine
76.67
99.91
99.17
110.13
11.21
0.23
Leucine
195.80
200.74
247.35
262.21
22.33
0.13
Phenylalanine
76.88
115.32
114.73
123.52
12.77
0.08
Glycine
2809.69
2034.44
2890.34
3133.65
319.42
0.13
Glutamic acid
398.06
383.28
432.61
497.64
48.89
0.38
Ornithine
42.19
68.69
120.20
120.91
21.59
0.05
Arginine
172.47
165.89
213.97
230.39
27.34
0.34
Serine
217.92
206.50
200.85
260.25
19.61
0.17
Phosphoserine
39.80
42.56
40.03
45.12
3.58
0.70
Taurine
2209.14
2194.45
1673.79
2002.92
167.97
0.13
Aspartic acid
281.75
336.57
335.76
387.43
36.55
0.28
γ-Aminobutyric acids
17.12
16.63
17.84
14.89
3.712
0.95
Table S2. Identification and trends of change for differential metabolites in liver of piglets with
different diets
Name
Formula
Theoretical
Mean measured
Delta
Retention
exact m/z
m/z
PPM
Time (min)
MS fragments
L-Proline
C5H9NO2
116.0706
116.0708
1.55
0.86
70.0659, 116.0708
L-Threonine
C4H9NO3
120.0655
120.0656
0.65
0.85
102.0538, 74.0599
L-Pyroglutamic acid
C5H7NO3
130.0499
130.0499
0.09
0.84
84.0402, 70.4949
Creatine
C4H9N3O2
132.0768
132.0767
0.70
0.85
132.0766, 90.0552
Hypoxanthine
C5H4N4O
137.0458
137.0456
1.19
1.18
137.0455, 110.0348
L-Lysine
C6H14N2O2
147.1128
147.1127
0.59
0.75
130.0853, 84.0811
L-Citrulline
C6H13N3O3
176.1030
176.1028
0.96
0.83
159.0763, 113.0709
Oleic acid
C18H34O2
282.2632
282.2635
2.49
6.94
265.2533, 283.2607
Docosahexaenoic acid
C22H32O2
329.2475
329.2466
2.90
6.63
175.1485, 219.1370
C17H20N4O6
377.1456
377.1450
1.43
4.11
243.0880, 172.0880
C15H22O2
235.1693
235.1687
2.56
7.87
235.1694, 179.1068
Riboflavin
Confertifolin
Table S3. Identification and trends of change for differential metabolites in plasma of piglets with
different diets
Name
Formula
Theoretical
Mean
Delta
Retention
exact m/z
measured m/z
PPM
Time (min)
MS fragments
Threonine
C4H9NO3
120.0655
120.0656
1.03
0.96
120.0653, 102.0545
Leucine
C6H13NO2
132.1019
132.1019
0.29
1.37
69.0700, 86.0967
Methionine
C5H11NO2S
150.0583
150.0581
1.27
1.18
133.0313, 102.0544
Valine
C5H11NO2
118.0863
118.0864
1.38
1.16
72.0815, 118.0863
L-Histidine
C6H9N3O2
156.0768
156.0768
0.09
0.93
156.0757, 110.0714
Alanine
C3H7NO2
90.0550
90.0555
6.18
0.95
90.0558, 72.0451
γ-Aminobutyric acid
C4H9NO2
104.0706
104.0710
3.93
0.96
69.0341, 87.0443
5-Aminolevulinate
C5H9NO3
132.0655
132.0660
3.94
0.99
86.0606, 114.0552
N-Methyltyramine
C9H13NO
152.1070
152.1069
0.78
1.82
121.0647, 103.0543
Phenylalanine
C9H11NO2
166.0863
166.0860
1.36
1.55
120.0806, 103.0545
N-Acetyl-L-lysine
C8H16N2O3
189.1234
189.1233
0.41
0.76
189.1224, 143.1172
C6H12N2O4S2
241.0311
241.0307
1.57
0.79
120.0130, 74.0293
Cystine
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