RI00071401 | 2,3-Diphosphoglyceric acid,2TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC(=O)[C@@H](COP(=O)(O)O)OP(=O)(O)O[Si](C)(C)C(C)(C)C | TBDMS | 494.1322 | Standard polar | 3469.1094 |
RI00071402 | 2,3-Diphosphoglyceric acid,2TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H](OP(=O)(O)O)C(=O)O)O[Si](C)(C)C(C)(C)C | TBDMS | 494.1322 | Standard polar | 3296.6218 |
RI00071403 | 2,3-Diphosphoglyceric acid,2TBDMS,isomer#4 | JsmolCC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O | TBDMS | 494.1322 | Standard polar | 3271.5098 |
RI00071404 | 2,3-Diphosphoglyceric acid,2TBDMS,isomer#5 | JsmolCC(C)(C)[Si](C)(C)OP(=O)(O[C@H](COP(=O)(O)O)C(=O)O)O[Si](C)(C)C(C)(C)C | TBDMS | 494.1322 | Standard polar | 3342.3352 |
RI00071405 | 2,3-Diphosphoglyceric acid,3TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OP(=O)(O)O | TBDMS | 608.2187 | Standard polar | 3143.483 |
RI00071406 | 2,3-Diphosphoglyceric acid,3TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC(=O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C | TBDMS | 608.2187 | Standard polar | 3144.1084 |
RI00071407 | 2,3-Diphosphoglyceric acid,3TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)OC(=O)[C@@H](COP(=O)(O)O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | TBDMS | 608.2187 | Standard polar | 3182.001 |
RI00071408 | 2,3-Diphosphoglyceric acid,3TBDMS,isomer#4 | JsmolCC(C)(C)[Si](C)(C)OP(=O)(O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O | TBDMS | 608.2187 | Standard polar | 3030.5261 |
RI00071409 | 2,3-Diphosphoglyceric acid,3TBDMS,isomer#5 | JsmolCC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O | TBDMS | 608.2187 | Standard polar | 3042.459 |
RI00071410 | 2,3-Diphosphoglyceric acid,4TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C | TBDMS | 722.3052 | Standard polar | 2965.3918 |
RI00071411 | 2,3-Diphosphoglyceric acid,4TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC(=O)[C@@H](COP(=O)(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 | TBDMS | 722.3052 | Standard polar | 2983.3135 |
RI00071412 | 2,3-Diphosphoglyceric acid,4TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C | TBDMS | 722.3052 | Standard polar | 2903.0222 |
RI00071413 | 2,3-Diphosphoglyceric acid,5TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)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 | TBDMS | 836.3917 | Standard polar | 2902.4824 |
RI00071414 | Maltotetraose | JsmolOC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O | Underivatized | 666.2219 | Standard polar | 3632.5618 |
RI00071415 | Maltotetraose | JsmolOC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O | Underivatized | 666.2219 | Standard non polar | 5067.8545 |
RI00071416 | Maltotetraose | JsmolOC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O | Underivatized | 666.2219 | Semi standard non polar | 5503.3584 |
RI00071417 | Norcotinine | JsmolO=C1CCC(N1)C1=CN=CC=C1 | Underivatized | 162.0793 | Standard polar | 2481.7761 |
RI00071418 | Norcotinine,1TMS,isomer#1 | JsmolC[Si](C)(C)N1C(=O)CCC1C1=CC=CN=C1 | TMS | 234.1188 | Standard non polar | 1687.3821 |
RI00071419 | Norcotinine,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)N1C(=O)CCC1C1=CC=CN=C1 | TBDMS | 276.1658 | Standard non polar | 1942.5934 |
RI00071420 | Norcotinine | JsmolO=C1CCC(N1)C1=CN=CC=C1 | Underivatized | 162.0793 | Standard non polar | 1567.9685 |
RI00071421 | Norcotinine | JsmolO=C1CCC(N1)C1=CN=CC=C1 | Underivatized | 162.0793 | Semi standard non polar | 1842.8916 |
RI00071422 | Norcotinine,1TMS,isomer#1 | JsmolC[Si](C)(C)N1C(=O)CCC1C1=CC=CN=C1 | TMS | 234.1188 | Semi standard non polar | 1677.2809 |
RI00071423 | Norcotinine,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)N1C(=O)CCC1C1=CC=CN=C1 | TBDMS | 276.1658 | Semi standard non polar | 1930.1924 |
RI00071424 | Norcotinine,1TMS,isomer#1 | JsmolC[Si](C)(C)N1C(=O)CCC1C1=CC=CN=C1 | TMS | 234.1188 | Standard polar | 2183.9583 |
RI00071425 | Norcotinine,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)N1C(=O)CCC1C1=CC=CN=C1 | TBDMS | 276.1658 | Standard polar | 2340.1492 |