RI00067376 | 2-Aminomuconic acid,4TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)/C=C\C=C(/C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C | TMS | 445.1956 | Semi standard non polar | 1990.0848 |
RI00067377 | 2-Aminomuconic acid,3TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)N/C(=C/C=C\C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | TBDMS | 499.2969 | Semi standard non polar | 2614.9214 |
RI00067378 | 2-Aminomuconic acid,3TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC(=O)/C=C\C=C(/C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 499.2969 | Semi standard non polar | 2720.6582 |
RI00067379 | 2-Aminomuconic acid,3TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)OC(=O)/C(=C\C=C/C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 499.2969 | Semi standard non polar | 2704.2505 |
RI00067380 | 2-Aminomuconic acid,4TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)/C=C\C=C(/C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 613.3834 | Semi standard non polar | 2840.4175 |
RI00067381 | 2-Aminomuconic acid,3TMS,isomer#1 | JsmolC[Si](C)(C)N/C(=C/C=C\C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C | TMS | 373.1561 | Standard polar | 2229.4717 |
RI00067382 | 2-Aminomuconic acid,3TMS,isomer#2 | JsmolC[Si](C)(C)OC(=O)/C=C\C=C(/C(=O)O)N([Si](C)(C)C)[Si](C)(C)C | TMS | 373.1561 | Standard polar | 2092.2634 |
RI00067383 | 2-Aminomuconic acid,3TMS,isomer#3 | JsmolC[Si](C)(C)OC(=O)/C(=C\C=C/C(=O)O)N([Si](C)(C)C)[Si](C)(C)C | TMS | 373.1561 | Standard polar | 2135.482 |
RI00067384 | 2-Aminomuconic acid,4TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)/C=C\C=C(/C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C | TMS | 445.1956 | Standard polar | 1877.4702 |
RI00067385 | 2-Aminomuconic acid,3TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)N/C(=C/C=C\C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | TBDMS | 499.2969 | Standard polar | 2448.8672 |
RI00067386 | 2-Aminomuconic acid,3TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC(=O)/C=C\C=C(/C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 499.2969 | Standard polar | 2358.861 |
RI00067387 | 2-Aminomuconic acid,3TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)OC(=O)/C(=C\C=C/C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 499.2969 | Standard polar | 2382.7764 |
RI00067388 | 2-Aminomuconic acid,4TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)/C=C\C=C(/C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 613.3834 | Standard polar | 2288.894 |
RI00067389 | Obtusifoliol,1TMS,isomer#1 | JsmolC=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)[C@@H](C)[C@@H]1CC3)C(C)C | TMS | 498.4257 | Semi standard non polar | 3350.696 |
RI00067390 | Obtusifoliol,1TBDMS,isomer#1 | JsmolC=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H]1CC3)C(C)C | TBDMS | 540.4726 | Semi standard non polar | 3570.7092 |
RI00067391 | Obtusifoliol | Jsmol[H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@]1([H])CC3)[C@H](C)CCC(=C)C(C)C | Underivatized | 426.3862 | Standard polar | 2840.12 |
RI00067392 | Obtusifoliol | Jsmol[H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@]1([H])CC3)[C@H](C)CCC(=C)C(C)C | Underivatized | 426.3862 | Standard non polar | 3309.3545 |
RI00067393 | Obtusifoliol | Jsmol[H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@]1([H])CC3)[C@H](C)CCC(=C)C(C)C | Underivatized | 426.3862 | Semi standard non polar | 3276.4387 |
RI00067394 | Isobutyryl-CoA | JsmolCC(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N | Underivatized | 837.1571 | Standard polar | 5703.2427 |
RI00067395 | Isobutyryl-CoA | JsmolCC(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N | Underivatized | 837.1571 | Standard non polar | 4278.4004 |
RI00067396 | Isobutyryl-CoA | JsmolCC(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N | Underivatized | 837.1571 | Semi standard non polar | 6301.572 |
RI00067397 | 15-Keto-13,14-dihydroprostaglandin A2,1TMS,isomer#1 | JsmolCCCCCC(=O)CC[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O[Si](C)(C)C | TMS | 406.2539 | Semi standard non polar | 2742.4094 |
RI00067398 | 15-Keto-13,14-dihydroprostaglandin A2,1TMS,isomer#2 | JsmolCCCCCC(=O)CC[C@H]1C=CC(O[Si](C)(C)C)=C1C/C=C\CCCC(=O)O | TMS | 406.2539 | Semi standard non polar | 2843.7463 |
RI00067399 | 15-Keto-13,14-dihydroprostaglandin A2,1TMS,isomer#3 | JsmolCCCCCC(=CC[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C | TMS | 406.2539 | Semi standard non polar | 2845.7837 |
RI00067400 | 15-Keto-13,14-dihydroprostaglandin A2,1TMS,isomer#4 | JsmolCCCCC=C(CC[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O[Si](C)(C)C | TMS | 406.2539 | Semi standard non polar | 2875.489 |