RI00012026 | N-Acetylneuraminic acid,5TBDMS,isomer#9 | JsmolCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 879.5384 | Standard polar | 3455.5034 |
RI00012027 | N-Acetylneuraminic acid,5TBDMS,isomer#10 | JsmolCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 879.5384 | Standard polar | 3468.2527 |
RI00012028 | N-Acetylneuraminic acid,5TBDMS,isomer#11 | JsmolCC(=O)N[C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | TBDMS | 879.5384 | Standard polar | 3458.3193 |
RI00012029 | N-Acetylneuraminic acid,5TBDMS,isomer#12 | JsmolCC(=O)N([C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 879.5384 | Standard polar | 3409.2817 |
RI00012030 | N-Acetylneuraminic acid,5TBDMS,isomer#13 | JsmolCC(=O)N([C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 879.5384 | Standard polar | 3427.3901 |
RI00012031 | N-Acetylneuraminic acid,5TBDMS,isomer#14 | JsmolCC(=O)N([C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 879.5384 | Standard polar | 3443.6057 |
RI00012032 | N-Acetylneuraminic acid,5TBDMS,isomer#15 | JsmolCC(=O)N([C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 879.5384 | Standard polar | 3468.418 |
RI00012033 | N-Acetylneuraminic acid,5TBDMS,isomer#16 | JsmolCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | TBDMS | 879.5384 | Standard polar | 3377.7905 |
RI00012034 | N-Acetylneuraminic acid,5TBDMS,isomer#17 | JsmolCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 879.5384 | Standard polar | 3356.9277 |
RI00012035 | N-Acetylneuraminic acid,5TBDMS,isomer#18 | JsmolCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 879.5384 | Standard polar | 3374.6604 |
RI00012036 | N-Acetylneuraminic acid,5TBDMS,isomer#19 | JsmolCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 879.5384 | Standard polar | 3383.8748 |
RI00012037 | N-Acetylneuraminic acid,5TBDMS,isomer#20 | JsmolCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 879.5384 | Standard polar | 3445.2014 |
RI00012038 | N-Acetylneuraminic acid,5TBDMS,isomer#21 | JsmolCC(=O)N([C@@H]1[C@@H](O)C[C@@](O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 879.5384 | Standard polar | 3409.9912 |
RI00012039 | Quinolinic acid,1TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)C1=CC=CN=C1C(=O)O | TMS | 239.0614 | Semi standard non polar | 1696.6189 |
RI00012040 | Quinolinic acid,1TMS,isomer#2 | JsmolC[Si](C)(C)OC(=O)C1=NC=CC=C1C(=O)O | TMS | 239.0614 | Semi standard non polar | 1698.4309 |
RI00012041 | Quinolinic acid,2TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)C1=CC=CN=C1C(=O)O[Si](C)(C)C | TMS | 311.1009 | Semi standard non polar | 1715.9288 |
RI00012042 | Quinolinic acid,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)C1=CC=CN=C1C(=O)O | TBDMS | 281.1083 | Semi standard non polar | 1918.878 |
RI00012043 | Quinolinic acid,1TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC(=O)C1=NC=CC=C1C(=O)O | TBDMS | 281.1083 | Semi standard non polar | 1932.469 |
RI00012044 | Quinolinic acid,2TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)C1=CC=CN=C1C(=O)O[Si](C)(C)C(C)(C)C | TBDMS | 395.1948 | Semi standard non polar | 2115.215 |
RI00012045 | Quinolinic acid | JsmolOC(=O)C1=CC=CN=C1C(O)=O | Underivatized | 167.0219 | Standard polar | 2247.004 |
RI00012046 | Quinolinic acid | JsmolOC(=O)C1=CC=CN=C1C(O)=O | Underivatized | 167.0219 | Standard non polar | 1441.2965 |
RI00012047 | Quinolinic acid | JsmolOC(=O)C1=CC=CN=C1C(O)=O | Underivatized | 167.0219 | Semi standard non polar | 1624.262 |
RI00012048 | Testosterone,1TMS,isomer#1 | JsmolC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O[Si](C)(C)C | TMS | 360.2485 | Semi standard non polar | 2764.5178 |
RI00012049 | Testosterone,1TMS,isomer#2 | JsmolC[C@]12CC[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@@H]2O | TMS | 360.2485 | Semi standard non polar | 2636.071 |
RI00012050 | Testosterone,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C | TBDMS | 402.2954 | Semi standard non polar | 3021.3396 |