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Increased compound | Chemical shift | VIP value | Loading | Decreased compound | Chemical shift | VIP value | Loading |
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Females early stage | | | | | | | |
N-methyl-a-aminobutyric acid, Ribonolactone | 3.82 | 3.01 | 0.242 | Beta-alanine | 3.18 | 5.66 | −0.455 |
Dimethylglycine | 3.7 | 2.85 | 0.229 | O-phosphoethanolamine | 4.02 | 2.5 | −0.201 |
Phosphocreatine, Creatine, Betaine | 3.9 | 2.72 | 0.219 | Unidentified | 3.66 | 2.12 | −0.171 |
Unidentified | 3.46 | 2.58 | 0.207 | Sarcosine | 3.62 | 2.84 | −0.228 |
Alanine, methylacetoacetic acid, acetylcholine | 3.74 | 1.91 | | Choline, Creatinine | 4.06 | 2.37 | −0.191 |
Choline, | 3.5 | 1.5 | 0.153 | | | | |
3-hydroxyisovaleric acid, 4-pyridoxic acid | 2.34 | 1.62 | 0.130 | | | | |
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Female late stage | | | | | | | |
2-hydroxy-2-methylbutyric acid | 0.94 | 3.01 | 0.242 | Dimethylglycine | 3.7 | 3.34 | −0.268 |
2-ethylacrylic acid | 0.98 | 2.41 | 0.194 | N-methyl-a-aminobutyric acid, ribonolactone | 3.82 | 3.34 | −0.268 |
Diethyl-thiophosphate, O-phosphoethanolamine, Phosphoserine | 3.98 | 2.38 | 0.191 | Unconfirmed | 3.46 | 3.28 | −0.263 |
Beta-alanine | 3.18 | 2.21 | 0.178 | N-methyl-a-aminobutyric acid,3-mercaptopyruvic acid | 3.86 | 3.05 | −0.245 |
Dimethyl-sulphide, Acetyl-phosphate, Amino-acetone, cis-2-methylaconitate | 2.10 | 2.15 | 0.173 | Alanine, methylacetoacetic acid, acetylcholine | 3.74 | 2.73 | −0.219 |
Putrescine, L-leucine, 2-hydroxy-2-methylbutyric acid | 1.7 | 2.03 | 0.163 | Lactate,long chain fatty acids | 1.3 | 2.18 | −0.175 |
3-hydroxyisovaleric acid, 4-pyridoxic acid | 2.34 | 1.87 | 0.150 | Glycine | 3.54 | 2.13 | −0.171 |
2-ethylacrylic acid, stearic acid | 1.02 | 1.82 | 0.146 | lactic acid, N-acetyl-L-alanine | 4.1 | 1.74 | −0.140 |
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Males late stage | | | | | | | |
Beta-alanine, Cystine | 3.18 | 3.26 | 0.262 | N-methyl-a-aminobutyric acid,Ribonolactone | 3.82 | 3.52 | −.282 |
2-hydroxy-2-methyl-butyric acid | 0.94 | 3.00 | 0.241 | N-methyl-a-aminobutyric acid,3-mercaptopyruvic acid | 3.86 | 3.38 | −.271 |
2-ethylacrylic acid | 0.98 | 2.44 | 0.196 | Serine, Dimethylglycine | 3.7 | 3.13 | −.251 |
Dimethyl-sulphide, Acetyl-phosphate, Amino-acetone, cis-2-methylaconitate | 2.1 | 1.98 | 0.159 | Alanine, methylacetoacetic acid, acetylcholine | 3.74 | 2.99 | −.20 |
Putrescine, 2-hydroxy-2-methylbutyric acid, L-leucine | 1.7 | 1.95 | 0.156 | Phosphocreatine, Creatine, Betaine | 3.9 | 2.44 | −.196 |
2-ethylacrylic acid, stearic acid | 1.02 | 1.77 | 0.142 | cis-aconitic acid | 3.46 | 2.33 | −.187 |
Long-chain fatty acids | 0.9 | 1.73 | 0.139 | lactic acid, N-acetyl-L-alanine | 4.1 | 1.98 | −.160 |
O-phosphoethanolamine, phosphoserine | 3.98 | 1.73 | 0.139 | Alanine, Acetylcholine, guanidinoacetic acid | 3.78 | 1.71 | −.136 |
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