TABLE 2.
Example reference data for compounds in Quality Control Mix.
| Compound | Quant Ion | Ret. Time (s) | MW (g/mol) | Derivatized MW (g/mol) | Comments |
|---|---|---|---|---|---|
| pyruvate | 174 | 351.307 | 88.062 | 189 | MeOX +TMS |
| alanine | 116 | 377.12 | 89.0931 | 233 | 2TMS |
| valine | 144 | 429.334 | 117.146 | 261 | 2TMS |
| serine major | 204 | 489.781 | 105.092 | 321 | 3TMS |
| serine minor | 116 | 449.444 | 105.092 | 249 | 2TMS |
| nicotinic acid | 180 | 469.024 | 123.1 | 195 | 1TMS |
| succinic acid | 147 | 472.082 | 118.088 | 262 | 2TMS |
| methionine | 176 | 555.519 | 149.211 | 293 | 2TMS |
| aspartic acid | 232 | 552.991 | 133.102 | 349 | 3TMS |
| 4-hydroxyproline major | 140 | 556.284 | 131.129 | 347 | 3TMS |
| 4-hydroxyproline minor | 158 | 538.291 | 131.129 | 275 | 2TMS |
| salicylic acid | 267 | 553.285 | 138.12 | 282 | 2TMS |
| glutamic acid | 246 | 589.506 | 147.129 | 363 | 3TMS |
| creatinine | 115 | 569.866 | 113.117 | 329 | 3TMS |
| alpha ketoglutaric acid | 147 | 564.457 | 146.098 | 319 | MeOX+2TMS |
| n-acetyl-aspartic acid major | 158 | 601.618 | 175.139 | 391 | 2TMS |
| n-acetyl-aspartic acid minor | 158 | 603.618 | 175.139 | 319 | 3TMS |
| asparagine | 116 | 607.792 | 132.117 | 348 | 3TMS |
| putrescine | 174 | 634.252 | 88.151 | 376 | 4TMS |
| shikimic acid | 204 | 651.246 | 174.151 | 372 | 4TMS |
| ctiric acid | 273 | 655.832 | 192.124 | 480 | 4TMS |
| l-lysine | 156 | 690.348 | 146.187 | 434 | 4TMS |
| d-(+)-glucose minor | 205 | 689.224 | 180.155 | 540 | MeOX + 5TMS |
| d-(+)-glucose major | 205 | 683.174 | 180.155 | 540 | MeOX + 5TMS |
| stearic acid | 117 | 782.781 | 284.477 | 356 | 1TMS |
| glucose-6-phosphate | 299 (387) | 799.069 | 260.136 | 548 | 4TMS |
| arachidic acid | 117 | 833.055 | 312.53 | 384 | 1TMS |
| serotonin minor | 174 | 838.75. | 176.215 | 464 | 4TMS |
| serotonin major | 174 | 848.09. | 176.215 | 392 | 3TMS |
| adenosine | 236 | 878.14 | 267.241 | 555 | 4TMS |
| sucrose | 361 | 875.803 | 342.296 | 918 | 8TMS |
| chlorogenic acid | 255 | 988.758 | 354.308 | 786 | 6TMS |
| alpha tocopherol | 237 | 1004.41 | 430.706 | 502 | 1TMS |
| cholesterol | 129 | 1015.75 | 386.653 | 458 | 1TMS |