RI00000276 | Deoxycorticosterone,2TBDMS,isomer#5 | JsmolCC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@H](C(=CO)O[Si](C)(C)C(C)(C)C)[C@@]3(C)CC[C@@H]12 | TBDMS | 558.3924 | Standard polar | 3682.1858 |
RI00000277 | Deoxycorticosterone,3TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3CC[C@]12C | TBDMS | 672.4789 | Standard polar | 3673.936 |
RI00000278 | Deoxycorticosterone,3TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3CC[C@]12C | TBDMS | 672.4789 | Standard polar | 3694.747 |
RI00000279 | 4-Pyridoxic acid,1TMS,isomer#1 | JsmolCC1=NC=C(CO[Si](C)(C)C)C(C(=O)O)=C1O | TMS | 255.0927 | Semi standard non polar | 1856.0264 |
RI00000280 | 4-Pyridoxic acid,1TMS,isomer#2 | JsmolCC1=NC=C(CO)C(C(=O)O[Si](C)(C)C)=C1O | TMS | 255.0927 | Semi standard non polar | 1837.3528 |
RI00000281 | 4-Pyridoxic acid,1TMS,isomer#3 | JsmolCC1=NC=C(CO)C(C(=O)O)=C1O[Si](C)(C)C | TMS | 255.0927 | Semi standard non polar | 1805.0599 |
RI00000282 | 4-Pyridoxic acid,2TMS,isomer#1 | JsmolCC1=NC=C(CO[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1O | TMS | 327.1322 | Semi standard non polar | 1875.8032 |
RI00000283 | 4-Pyridoxic acid,2TMS,isomer#2 | JsmolCC1=NC=C(CO[Si](C)(C)C)C(C(=O)O)=C1O[Si](C)(C)C | TMS | 327.1322 | Semi standard non polar | 1831.8949 |
RI00000284 | 4-Pyridoxic acid,2TMS,isomer#3 | JsmolCC1=NC=C(CO)C(C(=O)O[Si](C)(C)C)=C1O[Si](C)(C)C | TMS | 327.1322 | Semi standard non polar | 1863.9448 |
RI00000285 | 4-Pyridoxic acid,3TMS,isomer#1 | JsmolCC1=NC=C(CO[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1O[Si](C)(C)C | TMS | 399.1717 | Semi standard non polar | 1952.4487 |
RI00000286 | 4-Pyridoxic acid,1TBDMS,isomer#1 | JsmolCC1=NC=C(CO[Si](C)(C)C(C)(C)C)C(C(=O)O)=C1O | TBDMS | 297.1396 | Semi standard non polar | 2113.202 |
RI00000287 | 4-Pyridoxic acid,1TBDMS,isomer#2 | JsmolCC1=NC=C(CO)C(C(=O)O[Si](C)(C)C(C)(C)C)=C1O | TBDMS | 297.1396 | Semi standard non polar | 2099.8787 |
RI00000288 | 4-Pyridoxic acid,1TBDMS,isomer#3 | JsmolCC1=NC=C(CO)C(C(=O)O)=C1O[Si](C)(C)C(C)(C)C | TBDMS | 297.1396 | Semi standard non polar | 2064.3225 |
RI00000289 | 4-Pyridoxic acid,2TBDMS,isomer#1 | JsmolCC1=NC=C(CO[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)=C1O | TBDMS | 411.2261 | Semi standard non polar | 2330.2283 |
RI00000290 | 4-Pyridoxic acid,2TBDMS,isomer#2 | JsmolCC1=NC=C(CO[Si](C)(C)C(C)(C)C)C(C(=O)O)=C1O[Si](C)(C)C(C)(C)C | TBDMS | 411.2261 | Semi standard non polar | 2338.7522 |
RI00000291 | 4-Pyridoxic acid,2TBDMS,isomer#3 | JsmolCC1=NC=C(CO)C(C(=O)O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C | TBDMS | 411.2261 | Semi standard non polar | 2349.9824 |
RI00000292 | 4-Pyridoxic acid,3TBDMS,isomer#1 | JsmolCC1=NC=C(CO[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C | TBDMS | 525.3126 | Semi standard non polar | 2591.1406 |
RI00000293 | 4-Pyridoxic acid | JsmolCC1=NC=C(CO)C(C(O)=O)=C1O | Underivatized | 183.0532 | Standard polar | 2644.334 |
RI00000294 | 4-Pyridoxic acid | JsmolCC1=NC=C(CO)C(C(O)=O)=C1O | Underivatized | 183.0532 | Standard non polar | 1768.2334 |
RI00000295 | 4-Pyridoxic acid | JsmolCC1=NC=C(CO)C(C(O)=O)=C1O | Underivatized | 183.0532 | Semi standard non polar | 1786.8346 |
RI00000296 | alpha-Ketoisovaleric acid,1TMS,isomer#1 | JsmolCC(C)C(=O)C(=O)O[Si](C)(C)C | TMS | 188.0869 | Semi standard non polar | 1039.8496 |
RI00000297 | alpha-Ketoisovaleric acid,1TMS,isomer#2 | JsmolCC(C)=C(O[Si](C)(C)C)C(=O)O | TMS | 188.0869 | Semi standard non polar | 1112.4884 |
RI00000298 | alpha-Ketoisovaleric acid,1TBDMS,isomer#1 | JsmolCC(C)C(=O)C(=O)O[Si](C)(C)C(C)(C)C | TBDMS | 230.1338 | Semi standard non polar | 1270.1661 |
RI00000299 | alpha-Ketoisovaleric acid,1TBDMS,isomer#2 | JsmolCC(C)=C(O[Si](C)(C)C(C)(C)C)C(=O)O | TBDMS | 230.1338 | Semi standard non polar | 1366.7762 |
RI00000300 | alpha-Ketoisovaleric acid | JsmolCC(C)C(=O)C(O)=O | Underivatized | 116.0473 | Standard polar | 1644.5355 |