| 氨基酸及其衍生物Amino acids and their derivatives | 天冬氨酸Aspartic acid | 13.568 | 0.6834 | 0.0247 | 1.3218 | Up |
| 谷氨酸Glutamic acid | 14.744 | 1.2283 | 0.0017 | 1.5026 | Up |
| 谷氨酸盐Glutamine | 16.503 | 3.2743 | 0.0443 | 1.4131 | Up |
| 异亮氨酸Isoleucine | 10.588 | 1.1547 | 0.0232 | 1.3751 | Up |
| 蛋氨酸Methionine | 13.578 | 0.9800 | 0.0227 | 1.3712 | Up |
| N-甲酰-L-蛋氨酸N-formyl-L-methionine | 15.729 | -0.4150 | 0.0463 | 1.3166 | Down |
| 羟脯胺酸Oxoproline | 13.649 | 0.6648 | 0.0402 | 1.3251 | Up |
| 鸟氨酸Ornithine | 16.915 | 1.2580 | 0.0489 | 1.3506 | Up |
| 酪氨酸Tyrosine | 18.255 | 1.3905 | 0.0027 | 1.4861 | Up |
| 苯基丙氨酸Phenylalanine | 14.860 | 0.8506 | 0.0268 | 1.3273 | Up |
| L-组氨酸甜菜碱N(alpha), N(alpha)-dimethyl-L-histidine | 17.136 | 1.2927 | 0.0064 | 1.4160 | Up |
糖类及其衍生物
Sugars and their derivatives | 赤藓糖Erythrose | 12.687 | -0.6572 | 0.0008 | 1.5139 | Down |
| 塔格糖Tagatose | 17.197 | 1.1699 | 0.0181 | 1.4103 | Up |
| 6-脱氧-D-葡萄糖6-deoxy-D-glucose | 16.175 | 2.1378 | 0.0091 | 1.4189 | Up |
| 葡萄糖-1-磷酸Glucose-1-phosphate | 16.379 | 0.9139 | 0.0438 | 1.2903 | Up |
| 葡萄糖-6-磷酸Glucose-6-phosphate | 21.850 | -1.6865 | 0.0154 | 1.4795 | Down |
脂肪酸
Fatty acid | 豆蔻酸Myristic acid | 17.327 | 2.6436 | 0.0109 | 1.5117 | Up |
| 花生四烯酸Arachidonic acid | 22.200 | -1.9118 | 0.0413 | 1.3907 | Down |
有机酸
Organic acid | 柠檬酸Citric acid | 9.8766 | -0.7485 | 0.0009 | 1.5087 | Down |
| 马来酸Maleic acid | 10.698 | -0.4605 | 0.0464 | 1.2939 | Down |
| 3-羟丁酸3-hydroxybutyric acid | 8.7102 | -1.5905 | 0.0214 | 1.4670 | Down |
| 3-羟基-3-甲基戊二酸3-hydroxy-3-methylglutaric acid | 14.526 | -1.2892 | 0.0037 | 1.5065 | Down |
| 3-邻羟基苯乙酸3-hydroxyphenylacetic acid | 14.727 | -1.1634 | 0.0010 | 1.5084 | Down |
| β-甘露糖基甘油酸β-mannosylglycerate | 20.685 | 2.0396 | 0.0442 | 1.3879 | Up |
| 莽草酸Shikimic acid | 16.753 | 1.9183 | 0.0215 | 1.4382 | Up |
醇类
Alcohol | 丙三醇Glycerol | 10.320 | 0.5890 | 0.0249 | 1.3618 | Up |
| 丁三醇2-deoxyerythritol | 10.509 | -0.5241 | 0.0464 | 1.2975 | Down |
| 核酸及其衍生物Nucleic acids and their derivatives | 2-脱氧尿苷2-deoxyuridine | 10.419 | -0.8792 | 0.0008 | 1.5304 | Down |
| 尿嘧啶Uracil | 11.224 | 1.9685 | 0.0212 | 1.4209 | Up |
| 胞苷-1-磷酸Cytidine-monophosphate | 18.965 | -0.6101 | 0.0481 | 1.2821 | Down |
其他
Others | 2-羟基莠去津Atrazine-2-hydroxy | 17.975 | 2.6033 | 0.0285 | 1.3645 | Up |
| N-环已基甲酰胺N-cyclohexylformamide | 10.544 | -0.4960 | 0.0233 | 1.4012 | Down |
| 21-羟基孕烯醇酮21-hydroxypregnenolone | 27.105 | -1.8590 | 0.0395 | 1.3045 | Down |
| 1,2,4-苯三酚1,2,4-benzenetriol | 14.634 | -1.0837 | 0.0006 | 1.5169 | Down |