RI00062751 | Guanosine diphosphate mannose,2TBDMS,isomer#44 | JsmolCC(C)(C)[Si](C)(C)OP(=O)(O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)[C@H](O)[C@@H]1O | TBDMS | 833.2501 | Semi standard non polar | 5004.5737 |
RI00062752 | Guanosine diphosphate mannose,2TBDMS,isomer#45 | JsmolCC(C)(C)[Si](C)(C)N(C1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C(=O)[NH]1)[Si](C)(C)C(C)(C)C | TBDMS | 833.2501 | Semi standard non polar | 5016.836 |
RI00062753 | Guanosine diphosphate mannose,2TBDMS,isomer#46 | JsmolCC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C(=O)N1[Si](C)(C)C(C)(C)C | TBDMS | 833.2501 | Semi standard non polar | 5040.893 |
RI00062754 | Guanosine diphosphate mannose | JsmolNC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C(=O)N1 | Underivatized | 605.0772 | Standard polar | 4599.0117 |
RI00062755 | Guanosine diphosphate mannose | JsmolNC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C(=O)N1 | Underivatized | 605.0772 | Standard non polar | 3306.0557 |
RI00062756 | Guanosine diphosphate mannose | JsmolNC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C(=O)N1 | Underivatized | 605.0772 | Semi standard non polar | 5349.9854 |
RI00062757 | trans-1,2-Dihydrobenzene-1,2-diol,1TMS,isomer#1 | JsmolC[Si](C)(C)O[C@@H]1C=CC=C[C@H]1O | TMS | 184.092 | Semi standard non polar | 1248.3215 |
RI00062758 | trans-1,2-Dihydrobenzene-1,2-diol,2TMS,isomer#1 | JsmolC[Si](C)(C)O[C@@H]1C=CC=C[C@H]1O[Si](C)(C)C | TMS | 256.1315 | Semi standard non polar | 1301.2076 |
RI00062759 | trans-1,2-Dihydrobenzene-1,2-diol,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)O[C@@H]1C=CC=C[C@H]1O | TBDMS | 226.1389 | Semi standard non polar | 1467.1658 |
RI00062760 | trans-1,2-Dihydrobenzene-1,2-diol,2TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)O[C@@H]1C=CC=C[C@H]1O[Si](C)(C)C(C)(C)C | TBDMS | 340.2254 | Semi standard non polar | 1722.5052 |
RI00062761 | trans-1,2-Dihydrobenzene-1,2-diol | JsmolO[C@@H]1C=CC=C[C@H]1O | Underivatized | 112.0524 | Standard polar | 1775.8132 |
RI00062762 | trans-1,2-Dihydrobenzene-1,2-diol | JsmolO[C@@H]1C=CC=C[C@H]1O | Underivatized | 112.0524 | Standard non polar | 1092.4905 |
RI00062763 | trans-1,2-Dihydrobenzene-1,2-diol | JsmolO[C@@H]1C=CC=C[C@H]1O | Underivatized | 112.0524 | Semi standard non polar | 1059.7239 |
RI00062764 | 3-Hydroxybutyryl-CoA | JsmolC[C@@H](O)CC(=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 | 853.152 | Standard polar | 5803.6313 |
RI00062765 | 3-Hydroxybutyryl-CoA | JsmolC[C@@H](O)CC(=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 | 853.152 | Standard non polar | 4292.714 |
RI00062766 | 3-Hydroxybutyryl-CoA | JsmolC[C@@H](O)CC(=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 | 853.152 | Semi standard non polar | 6560.442 |
RI00062767 | Pyruvaldehyde | JsmolCC(=O)C=O | Underivatized | 72.0211 | Standard polar | 905.5125 |
RI00062768 | Pyruvaldehyde,1TMS,isomer#1 | JsmolC=C(C=O)O[Si](C)(C)C | TMS | 144.0607 | Standard non polar | 785.0617 |
RI00062769 | Pyruvaldehyde,1TBDMS,isomer#1 | JsmolC=C(C=O)O[Si](C)(C)C(C)(C)C | TBDMS | 186.1076 | Standard non polar | 1012.4301 |
RI00062770 | Pyruvaldehyde | JsmolCC(=O)C=O | Underivatized | 72.0211 | Standard non polar | 484.0904 |
RI00062771 | Pyruvaldehyde | JsmolCC(=O)C=O | Underivatized | 72.0211 | Semi standard non polar | 535.0287 |
RI00062772 | Pyruvaldehyde,1TMS,isomer#1 | JsmolC=C(C=O)O[Si](C)(C)C | TMS | 144.0607 | Semi standard non polar | 841.2931 |
RI00062773 | Pyruvaldehyde,1TBDMS,isomer#1 | JsmolC=C(C=O)O[Si](C)(C)C(C)(C)C | TBDMS | 186.1076 | Semi standard non polar | 1100.9073 |
RI00062774 | Pyruvaldehyde,1TMS,isomer#1 | JsmolC=C(C=O)O[Si](C)(C)C | TMS | 144.0607 | Standard polar | 1045.0128 |
RI00062775 | Pyruvaldehyde,1TBDMS,isomer#1 | JsmolC=C(C=O)O[Si](C)(C)C(C)(C)C | TBDMS | 186.1076 | Standard polar | 1235.8809 |