RI00060851 | Phosphoadenosine phosphosulfate,3TBDMS,isomer#11 | JsmolCC(C)(C)[Si](C)(C)OP(=O)(O[C@@H]1[C@@H](COP(=O)(O)OS(=O)(=O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O)O[Si](C)(C)C(C)(C)C | TBDMS | 849.2457 | Standard polar | 6576.0044 |
RI00060852 | Phosphoadenosine phosphosulfate,3TBDMS,isomer#12 | JsmolCC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O | TBDMS | 849.2457 | Standard polar | 6347.2803 |
RI00060853 | Phosphoadenosine phosphosulfate,3TBDMS,isomer#13 | JsmolCC(C)(C)[Si](C)(C)OS(=O)(=O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O | TBDMS | 849.2457 | Standard polar | 6311.3247 |
RI00060854 | Phosphoadenosine phosphosulfate,3TBDMS,isomer#14 | JsmolCC(C)(C)[Si](C)(C)OP(=O)(O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OS(=O)(=O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O)O[Si](C)(C)C(C)(C)C | TBDMS | 849.2457 | Standard polar | 6519.0093 |
RI00060855 | Phosphoadenosine phosphosulfate,3TBDMS,isomer#15 | JsmolCC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OS(=O)(=O)O)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O | TBDMS | 849.2457 | Standard polar | 6303.088 |
RI00060856 | Phosphoadenosine phosphosulfate,3TBDMS,isomer#16 | JsmolCC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O)OS(=O)(=O)O | TBDMS | 849.2457 | Standard polar | 6256.8506 |
RI00060857 | Phosphoadenosine phosphosulfate,3TBDMS,isomer#17 | JsmolCC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O | TBDMS | 849.2457 | Standard polar | 6363.2954 |
RI00060858 | Phosphoadenosine phosphosulfate,3TBDMS,isomer#18 | JsmolCC(C)(C)[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](COP(=O)(O)OS(=O)(=O)O)O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@@H]1O | TBDMS | 849.2457 | Standard polar | 6300.722 |
RI00060859 | Hydroxymethylbilane | JsmolOCC1=C(CC(O)=O)C(CCC(O)=O)=C(CC2=C(CC(O)=O)C(CCC(O)=O)=C(CC3=C(CC(O)=O)C(CCC(O)=O)=C(CC4=C(CC(O)=O)C(CCC(O)=O)=CN4)N3)N2)N1 | Underivatized | 854.2858 | Standard polar | 7356.335 |
RI00060860 | Hydroxymethylbilane | JsmolOCC1=C(CC(O)=O)C(CCC(O)=O)=C(CC2=C(CC(O)=O)C(CCC(O)=O)=C(CC3=C(CC(O)=O)C(CCC(O)=O)=C(CC4=C(CC(O)=O)C(CCC(O)=O)=CN4)N3)N2)N1 | Underivatized | 854.2858 | Standard non polar | 5102.967 |
RI00060861 | Hydroxymethylbilane | JsmolOCC1=C(CC(O)=O)C(CCC(O)=O)=C(CC2=C(CC(O)=O)C(CCC(O)=O)=C(CC3=C(CC(O)=O)C(CCC(O)=O)=C(CC4=C(CC(O)=O)C(CCC(O)=O)=CN4)N3)N2)N1 | Underivatized | 854.2858 | Semi standard non polar | 7680.143 |
RI00060862 | N-Acetyl-L-glutamic acid,1TMS,isomer#1 | JsmolCC(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O | TMS | 261.1032 | Semi standard non polar | 1685.9559 |
RI00060863 | N-Acetyl-L-glutamic acid,1TMS,isomer#2 | JsmolCC(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C | TMS | 261.1032 | Semi standard non polar | 1682.9391 |
RI00060864 | N-Acetyl-L-glutamic acid,1TMS,isomer#3 | JsmolCC(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C | TMS | 261.1032 | Semi standard non polar | 1721.3846 |
RI00060865 | N-Acetyl-L-glutamic acid,2TMS,isomer#1 | JsmolCC(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C | TMS | 333.1428 | Semi standard non polar | 1768.4352 |
RI00060866 | N-Acetyl-L-glutamic acid,2TMS,isomer#2 | JsmolCC(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C | TMS | 333.1428 | Semi standard non polar | 1752.9868 |
RI00060867 | N-Acetyl-L-glutamic acid,2TMS,isomer#3 | JsmolCC(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C | TMS | 333.1428 | Semi standard non polar | 1762.9595 |
RI00060868 | N-Acetyl-L-glutamic acid,1TBDMS,isomer#1 | JsmolCC(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O | TBDMS | 303.1502 | Semi standard non polar | 1937.7003 |
RI00060869 | N-Acetyl-L-glutamic acid,1TBDMS,isomer#2 | JsmolCC(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C | TBDMS | 303.1502 | Semi standard non polar | 1926.8983 |
RI00060870 | N-Acetyl-L-glutamic acid,1TBDMS,isomer#3 | JsmolCC(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C | TBDMS | 303.1502 | Semi standard non polar | 1947.4008 |
RI00060871 | N-Acetyl-L-glutamic acid,2TBDMS,isomer#1 | JsmolCC(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | TBDMS | 417.2367 | Semi standard non polar | 2200.9773 |
RI00060872 | N-Acetyl-L-glutamic acid,2TBDMS,isomer#2 | JsmolCC(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C | TBDMS | 417.2367 | Semi standard non polar | 2231.5925 |
RI00060873 | N-Acetyl-L-glutamic acid,2TBDMS,isomer#3 | JsmolCC(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 417.2367 | Semi standard non polar | 2206.955 |
RI00060874 | N-Acetyl-L-glutamic acid | JsmolCC(=O)N[C@@H](CCC(O)=O)C(O)=O | Underivatized | 189.0637 | Standard polar | 2821.6382 |
RI00060875 | N-Acetyl-L-glutamic acid | JsmolCC(=O)N[C@@H](CCC(O)=O)C(O)=O | Underivatized | 189.0637 | Standard non polar | 1512.176 |