RI00021101 | 3-Hydroxyglutaric acid,1TMS,isomer#2 | JsmolC[Si](C)(C)OC(=O)CC(O)CC(=O)O | TMS | 220.0767 | Semi standard non polar | 1437.2104 |
RI00021102 | 3-Hydroxyglutaric acid,2TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)CC(CC(=O)O)O[Si](C)(C)C | TMS | 292.1162 | Semi standard non polar | 1502.136 |
RI00021103 | 3-Hydroxyglutaric acid,2TMS,isomer#2 | JsmolC[Si](C)(C)OC(=O)CC(O)CC(=O)O[Si](C)(C)C | TMS | 292.1162 | Semi standard non polar | 1524.4069 |
RI00021104 | 3-Hydroxyglutaric acid,3TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)CC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C | TMS | 364.1558 | Semi standard non polar | 1586.3995 |
RI00021105 | 3-Hydroxyglutaric acid,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(CC(=O)O)CC(=O)O | TBDMS | 262.1237 | Semi standard non polar | 1676.5103 |
RI00021106 | 3-Hydroxyglutaric acid,1TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC(=O)CC(O)CC(=O)O | TBDMS | 262.1237 | Semi standard non polar | 1717.852 |
RI00021107 | 3-Hydroxyglutaric acid,2TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)CC(CC(=O)O)O[Si](C)(C)C(C)(C)C | TBDMS | 376.2101 | Semi standard non polar | 1978.4448 |
RI00021108 | 3-Hydroxyglutaric acid,2TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC(=O)CC(O)CC(=O)O[Si](C)(C)C(C)(C)C | TBDMS | 376.2101 | Semi standard non polar | 1976.815 |
RI00021109 | 3-Hydroxyglutaric acid,3TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)CC(CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | TBDMS | 490.2966 | Semi standard non polar | 2213.7292 |
RI00021110 | 3-Hydroxyglutaric acid | JsmolOC(CC(O)=O)CC(O)=O | Underivatized | 148.0372 | Standard polar | 2438.9634 |
RI00021111 | 3-Hydroxyglutaric acid | JsmolOC(CC(O)=O)CC(O)=O | Underivatized | 148.0372 | Standard non polar | 1097.0231 |
RI00021112 | 3-Hydroxyglutaric acid | JsmolOC(CC(O)=O)CC(O)=O | Underivatized | 148.0372 | Semi standard non polar | 1395.1223 |
RI00021113 | 17alpha-Estradiol,1TMS,isomer#1 | JsmolC[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1CC[C@H]2O[Si](C)(C)C | TMS | 344.2172 | Semi standard non polar | 2677.5378 |
RI00021114 | 17alpha-Estradiol,1TMS,isomer#2 | JsmolC[C@]12CC[C@@H]3C4=CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1CC[C@H]2O | TMS | 344.2172 | Semi standard non polar | 2655.227 |
RI00021115 | 17alpha-Estradiol,2TMS,isomer#1 | JsmolC[C@]12CC[C@@H]3C4=CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1CC[C@H]2O[Si](C)(C)C | TMS | 416.2567 | Semi standard non polar | 2708.0015 |
RI00021116 | 17alpha-Estradiol,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(O)=CC=C4[C@H]3CC[C@@]21C | TBDMS | 386.2641 | Semi standard non polar | 2965.662 |
RI00021117 | 17alpha-Estradiol,1TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2O | TBDMS | 386.2641 | Semi standard non polar | 2953.9277 |
RI00021118 | 17alpha-Estradiol,2TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2O[Si](C)(C)C(C)(C)C | TBDMS | 500.3506 | Semi standard non polar | 3270.9172 |
RI00021119 | 17alpha-Estradiol | Jsmol[H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 | Underivatized | 272.1776 | Standard polar | 3547.9333 |
RI00021120 | 17alpha-Estradiol | Jsmol[H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 | Underivatized | 272.1776 | Standard non polar | 2655.4216 |
RI00021121 | 17alpha-Estradiol | Jsmol[H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 | Underivatized | 272.1776 | Semi standard non polar | 2739.3735 |
RI00021122 | 24,25-Dihydroxyvitamin D,1TMS,isomer#1 | JsmolC=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCC(O[Si](C)(C)C)C(C)(C)O | TMS | 488.3686 | Semi standard non polar | 3466.2476 |
RI00021123 | 24,25-Dihydroxyvitamin D,1TMS,isomer#2 | JsmolC=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCC(O)C(C)(C)O[Si](C)(C)C | TMS | 488.3686 | Semi standard non polar | 3499.0386 |
RI00021124 | 24,25-Dihydroxyvitamin D,1TMS,isomer#3 | JsmolC=C1CC[C@@H](O[Si](C)(C)C)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCC(O)C(C)(C)O | TMS | 488.3686 | Semi standard non polar | 3440.064 |
RI00021125 | 24,25-Dihydroxyvitamin D,2TMS,isomer#1 | JsmolC=C1CC[C@@H](O[Si](C)(C)C)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCC(O[Si](C)(C)C)C(C)(C)O | TMS | 560.4081 | Semi standard non polar | 3410.8606 |