Table 2.
Target | Fraction 1 | Subfraction 1 | Subfraction 2 | Subfraction 3 | Compound Class | |
---|---|---|---|---|---|---|
1 | Citric acid-4TMS | 2,971,610 | 87,281 | 124,060 | 23,465 | Carboxylic acids |
2 | Glucose-meto-5TMS(1) | 2,162,365 | 230,045 | 0 | 163,277 | Carbohydrate |
3 | Inositol-6TMS(2) | 1,194,216 | 141,218 | 1123 | 10,389 | Carbocyclic sugar |
4 | 2-Aminopimelic acid-3TMS | 1,188,393 | 35,263 | 46,722 | 10,226 | Amino acid |
5 | Hydroxylamine-3TMS | 609,044 | 0 | 574,334 | 0 | Hydroxylamine |
6 | Glucose-meto-5TMS(2) | 423,257 | 49,736 | 3456 | 34,808 | Carbohydrate |
7 | Galactose-meto-5TMS(2) | 422,411 | 49,066 | 3587 | 38,804 | Carbohydrate |
8 | 1,5-13C2-Citric acid | 412,327 | 13,144 | 16,485 | 3281 | Carboxylic acids |
9 | Lactic acid-2TMS | 268,289 | 437,458 | 247,071 | 444,661 | Carboxylic acids |
10 | 1,6-Anhydroglucose-3TMS | 228,502 | 14,470 | 1080 | 4143 | Carbohydrate |
11 | Alanine-2TMS | 225,866 | 32,076 | 8606 | 14,237 | Amino acid |
12 | Xylose-meto-4TMS(1) | 178,497 | 31,305 | 4775 | 22,749 | Carbohydrates |
13 | 3-Aminoglutaric acid-2TMS | 169,217 | 26,046 | 4177 | 2165 | Amino acid |
14 | 4-Aminobutyric acid-3TMS | 169,048 | 17,510 | 0 | 6009 | Amino acid |
15 | Arabinose-meto-4TMS | 165,445 | 30,249 | 4666 | 19,117 | Carbohydrates |
16 | Palmitic acid-TMS | 154,588 | 129,131 | 126,973 | 120,981 | Saturated fatty acid |
17 | Sarcosine-d3-2TMS | 147,242 | 130,615 | 123,520 | 94,609 | Amino acid |
18 | Lyxose-meto-4TMS(2) | 146,571 | 23,892 | 3754 | 16,430 | Carbohydrates |
19 | Proline-2TMS | 144,359 | 37,171 | 3022 | 0 | Amino acid |
20 | Malic acid-3TMS | 135,932 | 12,652 | 2318 | 3148 | Carboxylic acids |