RI01715976 | isoleucine betaine,4TMS,isomer#47 | JsmolC[C@@H]1O[C@@H](O[C@H]2[C@H](C3=C(O)C=C4OC(C5=CC=C(O)C=C5)=CC(=O)C4=C3O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O | TMS | 866.3217 | Standard non polar | 4694.397 |
RI01715975 | isoleucine betaine,4TMS,isomer#33 | JsmolC[C@@H]1O[C@@H](O[C@H]2[C@H](C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C=C5)=CC(=O)C4=C3O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C | TMS | 866.3217 | Standard non polar | 4650.22 |
RI01715974 | isoleucine betaine,4TMS,isomer#32 | JsmolC[C@@H]1O[C@@H](O[C@H]2[C@H](C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C=C5)=CC(=O)C4=C3O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O | TMS | 866.3217 | Standard non polar | 4641.1836 |
RI01715973 | isoleucine betaine,4TMS,isomer#31 | JsmolC[C@@H]1O[C@@H](O[C@H]2[C@H](C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C=C5)=CC(=O)C4=C3O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O | TMS | 866.3217 | Standard non polar | 4642.5454 |
RI01715972 | isoleucine betaine,4TMS,isomer#27 | JsmolC[C@@H]1O[C@@H](O[C@H]2[C@H](C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C=C5)=CC(=O)C4=C3O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O | TMS | 866.3217 | Standard non polar | 4691.832 |
RI01715971 | isoleucine betaine,4TMS,isomer#18 | JsmolC[C@@H]1O[C@@H](O[C@H]2[C@H](C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C=C5)=CC(=O)C4=C3O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C | TMS | 866.3217 | Standard non polar | 4651.813 |
RI01715970 | isoleucine betaine,4TMS,isomer#17 | JsmolC[C@@H]1O[C@@H](O[C@H]2[C@H](C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C=C5)=CC(=O)C4=C3O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O | TMS | 866.3217 | Standard non polar | 4643.4844 |
RI01715969 | isoleucine betaine,4TMS,isomer#16 | JsmolC[C@@H]1O[C@@H](O[C@H]2[C@H](C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C=C5)=CC(=O)C4=C3O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O | TMS | 866.3217 | Standard non polar | 4643.7573 |
RI01715968 | isoleucine betaine,4TMS,isomer#12 | JsmolC[C@@H]1O[C@@H](O[C@H]2[C@H](C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C=C5)=CC(=O)C4=C3O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O | TMS | 866.3217 | Standard non polar | 4687.698 |
RI01715967 | isoleucine betaine,4TMS,isomer#3 | JsmolC[C@@H]1O[C@@H](O[C@H]2[C@H](C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O[Si](C)(C)C)C=C5)=CC(=O)C4=C3O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O | TMS | 866.3217 | Standard non polar | 4638.9023 |
RI01715966 | isoleucine betaine,3TMS,isomer#25 | JsmolC[C@@H]1O[C@@H](O[C@H]2[C@H](C3=C(O)C=C4OC(C5=CC=C(O)C=C5)=CC(=O)C4=C3O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C | TMS | 794.2821 | Standard non polar | 4674.7393 |
RI01715965 | isoleucine betaine,3TMS,isomer#24 | JsmolC[C@@H]1O[C@@H](O[C@H]2[C@H](C3=C(O)C=C4OC(C5=CC=C(O)C=C5)=CC(=O)C4=C3O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O | TMS | 794.2821 | Standard non polar | 4667.729 |
RI01715964 | isoleucine betaine,3TMS,isomer#23 | JsmolC[C@@H]1O[C@@H](O[C@H]2[C@H](C3=C(O)C=C4OC(C5=CC=C(O)C=C5)=CC(=O)C4=C3O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O | TMS | 794.2821 | Standard non polar | 4665.195 |
RI01715963 | isoleucine betaine,3TMS,isomer#19 | JsmolC[C@@H]1O[C@@H](O[C@H]2[C@H](C3=C(O)C=C4OC(C5=CC=C(O)C=C5)=CC(=O)C4=C3O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O | TMS | 794.2821 | Standard non polar | 4716.9595 |
RI01715962 | isoleucine betaine,3TMS,isomer#10 | JsmolC[C@@H]1O[C@@H](O[C@H]2[C@H](C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C=C5)=CC(=O)C4=C3O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O | TMS | 794.2821 | Standard non polar | 4664.1523 |
RI01715961 | isoleucine betaine,3TMS,isomer#4 | JsmolC[C@@H]1O[C@@H](O[C@H]2[C@H](C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C=C5)=CC(=O)C4=C3O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O | TMS | 794.2821 | Standard non polar | 4654.6885 |
RI01715960 | isoleucine betaine,2TMS,isomer#5 | JsmolC[C@@H]1O[C@@H](O[C@H]2[C@H](C3=C(O)C=C4OC(C5=CC=C(O)C=C5)=CC(=O)C4=C3O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O | TMS | 722.2426 | Standard non polar | 4682.368 |
RI01715959 | HMBOA tetrahexose,2TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)N(C(CCCC[N+](C)(C)C)C(=O)[O-])[Si](C)(C)C(C)(C)C | TBDMS | 416.3254 | Standard polar | 1961.4633 |
RI01715958 | HMBOA tetrahexose,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)NC(CCCC[N+](C)(C)C)C(=O)[O-] | TBDMS | 302.239 | Standard polar | 1991.81 |
RI01715957 | HMBOA tetrahexose,2TMS,isomer#1 | JsmolC[N+](C)(C)CCCCC(C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C | TMS | 332.2315 | Standard polar | 1820.8241 |
RI01715956 | HMBOA tetrahexose,1TMS,isomer#1 | JsmolC[N+](C)(C)CCCCC(N[Si](C)(C)C)C(=O)[O-] | TMS | 260.192 | Standard polar | 1883.9049 |
RI01715955 | HMBOA tetrahexose,2TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)N(C(CCCC[N+](C)(C)C)C(=O)[O-])[Si](C)(C)C(C)(C)C | TBDMS | 416.3254 | Semi standard non polar | 2119.371 |
RI01715954 | HMBOA tetrahexose,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)NC(CCCC[N+](C)(C)C)C(=O)[O-] | TBDMS | 302.239 | Semi standard non polar | 1717.8245 |
RI01715953 | HMBOA tetrahexose,2TMS,isomer#1 | JsmolC[N+](C)(C)CCCCC(C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C | TMS | 332.2315 | Semi standard non polar | 1723.4532 |
RI01715952 | HMBOA tetrahexose,1TMS,isomer#1 | JsmolC[N+](C)(C)CCCCC(N[Si](C)(C)C)C(=O)[O-] | TMS | 260.192 | Semi standard non polar | 1514.165 |