RI00001176 | Taurocholic acid | Jsmol[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=O | Underivatized | 515.2917 | Standard polar | 5456.6475 |
RI00001177 | Taurocholic acid,4TMS,isomer#1 | JsmolC[C@H](CCC(=O)NCCS(=O)(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C | TMS | 803.4498 | Standard non polar | 4654.892 |
RI00001178 | Taurocholic acid,4TMS,isomer#2 | JsmolC[C@H](CCC(=O)N(CCS(=O)(=O)O)[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C | TMS | 803.4498 | Standard non polar | 4666.6167 |
RI00001179 | Taurocholic acid,4TMS,isomer#3 | JsmolC[C@H](CCC(=O)N(CCS(=O)(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C | TMS | 803.4498 | Standard non polar | 4752.402 |
RI00001180 | Taurocholic acid,4TMS,isomer#4 | JsmolC[C@H](CCC(=O)N(CCS(=O)(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C | TMS | 803.4498 | Standard non polar | 4742.482 |
RI00001181 | Taurocholic acid,4TMS,isomer#5 | JsmolC[C@H](CCC(=O)N(CCS(=O)(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O | TMS | 803.4498 | Standard non polar | 4736.044 |
RI00001182 | Taurocholic acid,5TMS,isomer#1 | JsmolC[C@H](CCC(=O)N(CCS(=O)(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C | TMS | 875.4893 | Standard non polar | 4861.3037 |
RI00001183 | Taurocholic acid | Jsmol[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=O | Underivatized | 515.2917 | Standard non polar | 4187.2837 |
RI00001184 | Taurocholic acid | Jsmol[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=O | Underivatized | 515.2917 | Semi standard non polar | 4771.9604 |
RI00001185 | Taurocholic acid,4TMS,isomer#1 | JsmolC[C@H](CCC(=O)NCCS(=O)(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C | TMS | 803.4498 | Semi standard non polar | 4118.019 |
RI00001186 | Taurocholic acid,4TMS,isomer#2 | JsmolC[C@H](CCC(=O)N(CCS(=O)(=O)O)[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C | TMS | 803.4498 | Semi standard non polar | 4033.3613 |
RI00001187 | Taurocholic acid,4TMS,isomer#3 | JsmolC[C@H](CCC(=O)N(CCS(=O)(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C | TMS | 803.4498 | Semi standard non polar | 4132.0347 |
RI00001188 | Taurocholic acid,4TMS,isomer#4 | JsmolC[C@H](CCC(=O)N(CCS(=O)(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C | TMS | 803.4498 | Semi standard non polar | 4146.319 |
RI00001189 | Taurocholic acid,4TMS,isomer#5 | JsmolC[C@H](CCC(=O)N(CCS(=O)(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O | TMS | 803.4498 | Semi standard non polar | 4165.156 |
RI00001190 | Taurocholic acid,5TMS,isomer#1 | JsmolC[C@H](CCC(=O)N(CCS(=O)(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C | TMS | 875.4893 | Semi standard non polar | 4100.923 |
RI00001191 | Taurocholic acid,4TMS,isomer#1 | JsmolC[C@H](CCC(=O)NCCS(=O)(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C | TMS | 803.4498 | Standard polar | 4734.482 |
RI00001192 | Taurocholic acid,4TMS,isomer#2 | JsmolC[C@H](CCC(=O)N(CCS(=O)(=O)O)[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C | TMS | 803.4498 | Standard polar | 4770.6206 |
RI00001193 | Taurocholic acid,4TMS,isomer#3 | JsmolC[C@H](CCC(=O)N(CCS(=O)(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C | TMS | 803.4498 | Standard polar | 4721.715 |
RI00001194 | Taurocholic acid,4TMS,isomer#4 | JsmolC[C@H](CCC(=O)N(CCS(=O)(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C | TMS | 803.4498 | Standard polar | 4774.733 |
RI00001195 | Taurocholic acid,4TMS,isomer#5 | JsmolC[C@H](CCC(=O)N(CCS(=O)(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O | TMS | 803.4498 | Standard polar | 4697.53 |
RI00001196 | Taurocholic acid,5TMS,isomer#1 | JsmolC[C@H](CCC(=O)N(CCS(=O)(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C | TMS | 875.4893 | Standard polar | 4555.702 |
RI00001197 | Aldosterone,1TMS,isomer#1 | JsmolC[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C=O)[C@@H](C(=O)CO[Si](C)(C)C)CC[C@@H]12 | TMS | 432.2332 | Semi standard non polar | 3323.2769 |
RI00001198 | Aldosterone,1TMS,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](C(=O)CO)CC[C@@H]12 | TMS | 432.2332 | Semi standard non polar | 3274.3613 |
RI00001199 | Aldosterone,1TMS,isomer#3 | JsmolC[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C=O)C(=C(CO)O[Si](C)(C)C)CC[C@@H]12 | TMS | 432.2332 | Semi standard non polar | 3325.9167 |
RI00001200 | Aldosterone,1TMS,isomer#4 | JsmolC[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C=O)[C@@H](C(=CO)O[Si](C)(C)C)CC[C@@H]12 | TMS | 432.2332 | Semi standard non polar | 3268.6797 |