RI00071301 | Glutaconyl-CoA | JsmolCC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)\C=C\CC(O)=O | Underivatized | 879.1313 | Standard polar | 6601.5723 |
RI00071302 | Glutaconyl-CoA | JsmolCC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)\C=C\CC(O)=O | Underivatized | 879.1313 | Standard non polar | 4338.0884 |
RI00071303 | Glutaconyl-CoA | JsmolCC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)\C=C\CC(O)=O | Underivatized | 879.1313 | Semi standard non polar | 6916.97 |
RI00071304 | 1-Deoxy-D-xylulose,1TMS,isomer#1 | JsmolC[Si](C)(C)OC[C@@H]1OC[C@@H](O)[C@@H]1O | TMS | 206.0974 | Semi standard non polar | 1349.4397 |
RI00071305 | 1-Deoxy-D-xylulose,1TMS,isomer#2 | JsmolC[Si](C)(C)O[C@@H]1CO[C@@H](CO)[C@H]1O | TMS | 206.0974 | Semi standard non polar | 1381.9432 |
RI00071306 | 1-Deoxy-D-xylulose,1TMS,isomer#3 | JsmolC[Si](C)(C)O[C@@H]1[C@H](CO)OC[C@H]1O | TMS | 206.0974 | Semi standard non polar | 1373.9535 |
RI00071307 | 1-Deoxy-D-xylulose,2TMS,isomer#1 | JsmolC[Si](C)(C)OC[C@@H]1OC[C@@H](O[Si](C)(C)C)[C@@H]1O | TMS | 278.137 | Semi standard non polar | 1458.8384 |
RI00071308 | 1-Deoxy-D-xylulose,2TMS,isomer#2 | JsmolC[Si](C)(C)OC[C@@H]1OC[C@@H](O)[C@@H]1O[Si](C)(C)C | TMS | 278.137 | Semi standard non polar | 1458.182 |
RI00071309 | 1-Deoxy-D-xylulose,2TMS,isomer#3 | JsmolC[Si](C)(C)O[C@@H]1CO[C@@H](CO)[C@H]1O[Si](C)(C)C | TMS | 278.137 | Semi standard non polar | 1445.7361 |
RI00071310 | 1-Deoxy-D-xylulose,3TMS,isomer#1 | JsmolC[Si](C)(C)OC[C@@H]1OC[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C | TMS | 350.1765 | Semi standard non polar | 1539.06 |
RI00071311 | 1-Deoxy-D-xylulose,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC[C@@H]1OC[C@@H](O)[C@@H]1O | TBDMS | 248.1444 | Semi standard non polar | 1575.5488 |
RI00071312 | 1-Deoxy-D-xylulose,1TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)O[C@@H]1CO[C@@H](CO)[C@H]1O | TBDMS | 248.1444 | Semi standard non polar | 1585.98 |
RI00071313 | 1-Deoxy-D-xylulose,1TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)O[C@@H]1[C@H](CO)OC[C@H]1O | TBDMS | 248.1444 | Semi standard non polar | 1594.997 |
RI00071314 | 1-Deoxy-D-xylulose,2TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC[C@@H]1OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O | TBDMS | 362.2309 | Semi standard non polar | 1883.9591 |
RI00071315 | 1-Deoxy-D-xylulose,2TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC[C@@H]1OC[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C | TBDMS | 362.2309 | Semi standard non polar | 1890.3547 |
RI00071316 | 1-Deoxy-D-xylulose,2TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)O[C@@H]1CO[C@@H](CO)[C@H]1O[Si](C)(C)C(C)(C)C | TBDMS | 362.2309 | Semi standard non polar | 1889.6594 |
RI00071317 | 1-Deoxy-D-xylulose,3TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC[C@@H]1OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C | TBDMS | 476.3173 | Semi standard non polar | 2182.0127 |
RI00071318 | 1-Deoxy-D-xylulose | JsmolOC[C@@H]1OC[C@@H](O)[C@@H]1O | Underivatized | 134.0579 | Standard polar | 2636.1877 |
RI00071319 | 1-Deoxy-D-xylulose | JsmolOC[C@@H]1OC[C@@H](O)[C@@H]1O | Underivatized | 134.0579 | Standard non polar | 1316.413 |
RI00071320 | 1-Deoxy-D-xylulose | JsmolOC[C@@H]1OC[C@@H](O)[C@@H]1O | Underivatized | 134.0579 | Semi standard non polar | 1288.4965 |
RI00071321 | 2,3-Diphosphoglyceric acid,1TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)[C@@H](COP(=O)(O)O)OP(=O)(O)O | TMS | 337.9988 | Semi standard non polar | 2071.0405 |
RI00071322 | 2,3-Diphosphoglyceric acid,1TMS,isomer#2 | JsmolC[Si](C)(C)OP(=O)(O)OC[C@@H](OP(=O)(O)O)C(=O)O | TMS | 337.9988 | Semi standard non polar | 2139.6868 |
RI00071323 | 2,3-Diphosphoglyceric acid,1TMS,isomer#3 | JsmolC[Si](C)(C)OP(=O)(O)O[C@H](COP(=O)(O)O)C(=O)O | TMS | 337.9988 | Semi standard non polar | 2135.508 |
RI00071324 | 2,3-Diphosphoglyceric acid,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)[C@@H](COP(=O)(O)O)OP(=O)(O)O | TBDMS | 380.0457 | Semi standard non polar | 2324.4849 |
RI00071325 | 2,3-Diphosphoglyceric acid,1TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@@H](OP(=O)(O)O)C(=O)O | TBDMS | 380.0457 | Semi standard non polar | 2385.5781 |