RI00071126 | dTDP,3TBDMS,isomer#2 | JsmolCC1=CN([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O | TBDMS | 744.2824 | Standard polar | 4566.801 |
RI00071127 | dTDP,3TBDMS,isomer#3 | JsmolCC1=CN([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O | TBDMS | 744.2824 | Standard polar | 4404.997 |
RI00071128 | dTDP,3TBDMS,isomer#4 | JsmolCC1=CN([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O | TBDMS | 744.2824 | Standard polar | 4633.611 |
RI00071129 | dTDP,3TBDMS,isomer#5 | JsmolCC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O | TBDMS | 744.2824 | Standard polar | 4166.2134 |
RI00071130 | dTDP,3TBDMS,isomer#6 | JsmolCC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O | TBDMS | 744.2824 | Standard polar | 4393.006 |
RI00071131 | dTDP,3TBDMS,isomer#7 | JsmolCC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O | TBDMS | 744.2824 | Standard polar | 4404.334 |
RI00071132 | dTDP,4TBDMS,isomer#1 | JsmolCC1=CN([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O | TBDMS | 858.3688 | Standard polar | 4040.858 |
RI00071133 | dTDP,4TBDMS,isomer#2 | JsmolCC1=CN([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O | TBDMS | 858.3688 | Standard polar | 4213.5156 |
RI00071134 | dTDP,4TBDMS,isomer#3 | JsmolCC1=CN([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O | TBDMS | 858.3688 | Standard polar | 4218.811 |
RI00071135 | dTDP,4TBDMS,isomer#4 | JsmolCC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O | TBDMS | 858.3688 | Standard polar | 4027.6372 |
RI00071136 | Propionyl-CoA | JsmolCCC(=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 | 823.1414 | Standard polar | 5654.535 |
RI00071137 | Propionyl-CoA | JsmolCCC(=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 | 823.1414 | Standard non polar | 4256.7285 |
RI00071138 | Propionyl-CoA | JsmolCCC(=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 | 823.1414 | Semi standard non polar | 6344.58 |
RI00071139 | N1-Acetylspermidine | JsmolCC(=O)NCCCNCCCCN | Underivatized | 187.1685 | Standard polar | 2610.3477 |
RI00071140 | N1-Acetylspermidine,1TMS,isomer#1 | JsmolCC(=O)NCCCNCCCCN[Si](C)(C)C | TMS | 259.208 | Standard non polar | 2012.8663 |
RI00071141 | N1-Acetylspermidine,1TMS,isomer#2 | JsmolCC(=O)N(CCCNCCCCN)[Si](C)(C)C | TMS | 259.208 | Standard non polar | 1941.0978 |
RI00071142 | N1-Acetylspermidine,1TMS,isomer#3 | JsmolCC(=O)NCCCN(CCCCN)[Si](C)(C)C | TMS | 259.208 | Standard non polar | 1892.6372 |
RI00071143 | N1-Acetylspermidine,2TMS,isomer#1 | JsmolCC(=O)N(CCCNCCCCN[Si](C)(C)C)[Si](C)(C)C | TMS | 331.2475 | Standard non polar | 2167.4304 |
RI00071144 | N1-Acetylspermidine,2TMS,isomer#2 | JsmolCC(=O)NCCCN(CCCCN[Si](C)(C)C)[Si](C)(C)C | TMS | 331.2475 | Standard non polar | 2109.6582 |
RI00071145 | N1-Acetylspermidine,2TMS,isomer#3 | JsmolCC(=O)NCCCNCCCCN([Si](C)(C)C)[Si](C)(C)C | TMS | 331.2475 | Standard non polar | 2158.8835 |
RI00071146 | N1-Acetylspermidine,2TMS,isomer#4 | JsmolCC(=O)N(CCCN(CCCCN)[Si](C)(C)C)[Si](C)(C)C | TMS | 331.2475 | Standard non polar | 2088.286 |
RI00071147 | N1-Acetylspermidine,3TMS,isomer#1 | JsmolCC(=O)N(CCCN(CCCCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | TMS | 403.287 | Standard non polar | 2268.0085 |
RI00071148 | N1-Acetylspermidine,3TMS,isomer#2 | JsmolCC(=O)N(CCCNCCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | TMS | 403.287 | Standard non polar | 2273.6113 |
RI00071149 | N1-Acetylspermidine,3TMS,isomer#3 | JsmolCC(=O)NCCCN(CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | TMS | 403.287 | Standard non polar | 2268.7798 |
RI00071150 | N1-Acetylspermidine,4TMS,isomer#1 | JsmolCC(=O)N(CCCN(CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | TMS | 475.3266 | Standard non polar | 2388.692 |