RI00020326 | 17-Hydroxypregnenolone sulfate,2TBDMS,isomer#1 | JsmolCC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CC=C4CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C | TBDMS | 640.3649 | Semi standard non polar | 3918.5347 |
RI00020327 | 17-Hydroxypregnenolone sulfate,2TBDMS,isomer#2 | JsmolC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CC=C4CC(OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C | TBDMS | 640.3649 | Semi standard non polar | 3881.3103 |
RI00020328 | 17-Hydroxypregnenolone sulfate,2TBDMS,isomer#3 | JsmolC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C | TBDMS | 640.3649 | Semi standard non polar | 3806.162 |
RI00020329 | 17-Hydroxypregnenolone sulfate,3TBDMS,isomer#1 | JsmolC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CC=C4CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C | TBDMS | 754.4514 | Semi standard non polar | 4086.1343 |
RI00020330 | 17-Hydroxypregnenolone sulfate,2TMS,isomer#1 | JsmolCC(=O)[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@H]3CC=C4CC(OS(=O)(=O)O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C | TMS | 556.271 | Standard polar | 4024.2305 |
RI00020331 | 17-Hydroxypregnenolone sulfate,2TMS,isomer#2 | JsmolC=C(O[Si](C)(C)C)[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@H]3CC=C4CC(OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C | TMS | 556.271 | Standard polar | 4218.244 |
RI00020332 | 17-Hydroxypregnenolone sulfate,2TMS,isomer#3 | JsmolC=C(O[Si](C)(C)C)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4CC(OS(=O)(=O)O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C | TMS | 556.271 | Standard polar | 4165.138 |
RI00020333 | 17-Hydroxypregnenolone sulfate,3TMS,isomer#1 | JsmolC=C(O[Si](C)(C)C)[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@H]3CC=C4CC(OS(=O)(=O)O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C | TMS | 628.3105 | Standard polar | 4052.5813 |
RI00020334 | 17-Hydroxypregnenolone sulfate,2TBDMS,isomer#1 | JsmolCC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CC=C4CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C | TBDMS | 640.3649 | Standard polar | 4164.9277 |
RI00020335 | 17-Hydroxypregnenolone sulfate,2TBDMS,isomer#2 | JsmolC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CC=C4CC(OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C | TBDMS | 640.3649 | Standard polar | 4356.045 |
RI00020336 | 17-Hydroxypregnenolone sulfate,2TBDMS,isomer#3 | JsmolC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C | TBDMS | 640.3649 | Standard polar | 4310.1646 |
RI00020337 | 17-Hydroxypregnenolone sulfate,3TBDMS,isomer#1 | JsmolC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CC=C4CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C | TBDMS | 754.4514 | Standard polar | 4209.4565 |
RI00020338 | 3D,7D,11D-Phytanic acid,1TMS,isomer#1 | JsmolCC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CC(=O)O[Si](C)(C)C | TMS | 384.3424 | Semi standard non polar | 2194.7332 |
RI00020339 | 3D,7D,11D-Phytanic acid,1TBDMS,isomer#1 | JsmolCC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CC(=O)O[Si](C)(C)C(C)(C)C | TBDMS | 426.3893 | Semi standard non polar | 2411.489 |
RI00020340 | 3D,7D,11D-Phytanic acid | JsmolCC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CC(O)=O | Underivatized | 312.3028 | Standard polar | 3150.8264 |
RI00020341 | 3D,7D,11D-Phytanic acid | JsmolCC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CC(O)=O | Underivatized | 312.3028 | Standard non polar | 2108.4949 |
RI00020342 | 3D,7D,11D-Phytanic acid | JsmolCC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CC(O)=O | Underivatized | 312.3028 | Semi standard non polar | 2174.7744 |
RI00020343 | 18-Hydroxycortisol,1TMS,isomer#1 | JsmolC[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=O)CO)[C@@]3(CO)C[C@H](O)[C@@H]12 | TMS | 450.2438 | Semi standard non polar | 3492.033 |
RI00020344 | 18-Hydroxycortisol,1TMS,isomer#2 | JsmolC[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=O)CO[Si](C)(C)C)[C@@]3(CO)C[C@H](O)[C@@H]12 | TMS | 450.2438 | Semi standard non polar | 3496.9583 |
RI00020345 | 18-Hydroxycortisol,1TMS,isomer#3 | JsmolC[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=O)CO)[C@@]3(CO[Si](C)(C)C)C[C@H](O)[C@@H]12 | TMS | 450.2438 | Semi standard non polar | 3447.2266 |
RI00020346 | 18-Hydroxycortisol,1TMS,isomer#4 | JsmolC[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=O)CO)[C@@]3(CO)C[C@H](O[Si](C)(C)C)[C@@H]12 | TMS | 450.2438 | Semi standard non polar | 3450.7642 |
RI00020347 | 18-Hydroxycortisol,1TMS,isomer#5 | JsmolC[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=CO)O[Si](C)(C)C)[C@@]3(CO)C[C@H](O)[C@@H]12 | TMS | 450.2438 | Semi standard non polar | 3452.7283 |
RI00020348 | 18-Hydroxycortisol,1TMS,isomer#6 | JsmolC[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=O)CO)[C@@]3(CO)C[C@H](O)[C@@H]12 | TMS | 450.2438 | Semi standard non polar | 3425.6846 |
RI00020349 | 18-Hydroxycortisol,2TMS,isomer#1 | JsmolC[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=O)CO[Si](C)(C)C)[C@@]3(CO)C[C@H](O)[C@@H]12 | TMS | 522.2833 | Semi standard non polar | 3519.586 |
RI00020350 | 18-Hydroxycortisol,2TMS,isomer#2 | JsmolC[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=O)CO)[C@@]3(CO[Si](C)(C)C)C[C@H](O)[C@@H]12 | TMS | 522.2833 | Semi standard non polar | 3470.571 |