RI00018351 | 18-Oxocortisol,4TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OCC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C=O | TBDMS | 832.5345 | Semi standard non polar | 4134.7437 |
RI00018352 | 18-Oxocortisol,4TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)OC=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]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C=O | TBDMS | 832.5345 | Semi standard non polar | 4174.75 |
RI00018353 | 18-Oxocortisol,4TBDMS,isomer#4 | JsmolCC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@@H]1[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]2(C=O)[C@H]1CC[C@@]2(O[Si](C)(C)C(C)(C)C)C(=CO)O[Si](C)(C)C(C)(C)C | TBDMS | 832.5345 | Semi standard non polar | 4066.0015 |
RI00018354 | 18-Oxocortisol,4TBDMS,isomer#5 | JsmolCC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C=O | TBDMS | 832.5345 | Semi standard non polar | 3985.2307 |
RI00018355 | 18-Oxocortisol,4TMS,isomer#1 | JsmolC[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1[C@@H]2[C@@H](O[Si](C)(C)C)C[C@@]2(C=O)[C@H]1CC[C@@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C | TMS | 664.3467 | Standard polar | 3667.4558 |
RI00018356 | 18-Oxocortisol,4TMS,isomer#2 | JsmolC[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O[Si](C)(C)C)C[C@@]2(C=O)[C@H]1CC[C@@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C | TMS | 664.3467 | Standard polar | 3685.9456 |
RI00018357 | 18-Oxocortisol,4TMS,isomer#3 | JsmolC[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1[C@@H]2[C@@H](O[Si](C)(C)C)C[C@@]2(C=O)[C@H]1CC[C@@]2(O[Si](C)(C)C)C(=CO)O[Si](C)(C)C | TMS | 664.3467 | Standard polar | 3755.5105 |
RI00018358 | 18-Oxocortisol,4TMS,isomer#4 | JsmolC[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C=O)[C@H]1CC[C@@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C | TMS | 664.3467 | Standard polar | 3762.4595 |
RI00018359 | 18-Oxocortisol,4TMS,isomer#5 | JsmolC[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1[C@@H]2[C@@H](O[Si](C)(C)C)C[C@@]2(C=O)[C@H]1CC[C@@]2(O)C(=CO[Si](C)(C)C)O[Si](C)(C)C | TMS | 664.3467 | Standard polar | 3828.4097 |
RI00018360 | 18-Oxocortisol,5TMS,isomer#1 | JsmolC[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1[C@@H]2[C@@H](O[Si](C)(C)C)C[C@@]2(C=O)[C@H]1CC[C@@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C | TMS | 736.3862 | Standard polar | 3631.2087 |
RI00018361 | 18-Oxocortisol,4TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC=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]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C=O | TBDMS | 832.5345 | Standard polar | 3889.3877 |
RI00018362 | 18-Oxocortisol,4TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OCC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C=O | TBDMS | 832.5345 | Standard polar | 3882.2852 |
RI00018363 | 18-Oxocortisol,4TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)OC=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]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C=O | TBDMS | 832.5345 | Standard polar | 3981.4539 |
RI00018364 | 18-Oxocortisol,4TBDMS,isomer#4 | JsmolCC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@@H]1[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]2(C=O)[C@H]1CC[C@@]2(O[Si](C)(C)C(C)(C)C)C(=CO)O[Si](C)(C)C(C)(C)C | TBDMS | 832.5345 | Standard polar | 3972.17 |
RI00018365 | 18-Oxocortisol,4TBDMS,isomer#5 | JsmolCC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C=O | TBDMS | 832.5345 | Standard polar | 4067.212 |
RI00018366 | Isohomovanillic acid,1TMS,isomer#1 | JsmolCOC1=CC=C(CC(=O)O[Si](C)(C)C)C=C1O | TMS | 254.0974 | Semi standard non polar | 1729.4382 |
RI00018367 | Isohomovanillic acid,1TMS,isomer#2 | JsmolCOC1=CC=C(CC(=O)O)C=C1O[Si](C)(C)C | TMS | 254.0974 | Semi standard non polar | 1793.3972 |
RI00018368 | Isohomovanillic acid,2TMS,isomer#1 | JsmolCOC1=CC=C(CC(=O)O[Si](C)(C)C)C=C1O[Si](C)(C)C | TMS | 326.137 | Semi standard non polar | 1789.1262 |
RI00018369 | Isohomovanillic acid,1TBDMS,isomer#1 | JsmolCOC1=CC=C(CC(=O)O[Si](C)(C)C(C)(C)C)C=C1O | TBDMS | 296.1444 | Semi standard non polar | 1964.0046 |
RI00018370 | Isohomovanillic acid,1TBDMS,isomer#2 | JsmolCOC1=CC=C(CC(=O)O)C=C1O[Si](C)(C)C(C)(C)C | TBDMS | 296.1444 | Semi standard non polar | 2034.4303 |
RI00018371 | Isohomovanillic acid,2TBDMS,isomer#1 | JsmolCOC1=CC=C(CC(=O)O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C | TBDMS | 410.2309 | Semi standard non polar | 2253.8564 |
RI00018372 | Isohomovanillic acid | JsmolCOC1=CC=C(CC(O)=O)C=C1O | Underivatized | 182.0579 | Standard polar | 3086.9224 |
RI00018373 | Isohomovanillic acid | JsmolCOC1=CC=C(CC(O)=O)C=C1O | Underivatized | 182.0579 | Standard non polar | 1654.6722 |
RI00018374 | Isohomovanillic acid | JsmolCOC1=CC=C(CC(O)=O)C=C1O | Underivatized | 182.0579 | Semi standard non polar | 1688.6554 |
RI00018375 | 16a-Hydroxyestrone,1TMS,isomer#1 | JsmolC[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1C[C@@H](O[Si](C)(C)C)C2=O | TMS | 358.1964 | Semi standard non polar | 2768.0334 |