RI00019326 | 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,3TBDMS,isomer#6 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O[Si](C)(C)C(C)(C)C | TBDMS | 766.5419 | Semi standard non polar | 3928.1553 |
RI00019327 | 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,3TBDMS,isomer#7 | JsmolC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O | TBDMS | 766.5419 | Semi standard non polar | 3979.6084 |
RI00019328 | 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,3TBDMS,isomer#8 | JsmolC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1[C@H](O)[C@@H]3O[Si](C)(C)C(C)(C)C | TBDMS | 766.5419 | Semi standard non polar | 4021.8962 |
RI00019329 | 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,3TBDMS,isomer#9 | JsmolC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O[Si](C)(C)C(C)(C)C | TBDMS | 766.5419 | Semi standard non polar | 3979.0557 |
RI00019330 | 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,3TBDMS,isomer#10 | JsmolC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O[Si](C)(C)C(C)(C)C | TBDMS | 766.5419 | Semi standard non polar | 3961.0156 |
RI00019331 | 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,4TBDMS,isomer#1 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O | TBDMS | 880.6284 | Semi standard non polar | 4161.2915 |
RI00019332 | 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,4TBDMS,isomer#2 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1[C@H](O)[C@@H]3O[Si](C)(C)C(C)(C)C | TBDMS | 880.6284 | Semi standard non polar | 4199.697 |
RI00019333 | 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,4TBDMS,isomer#3 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O[Si](C)(C)C(C)(C)C | TBDMS | 880.6284 | Semi standard non polar | 4168.4536 |
RI00019334 | 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,4TBDMS,isomer#4 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O[Si](C)(C)C(C)(C)C | TBDMS | 880.6284 | Semi standard non polar | 4152.457 |
RI00019335 | 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,4TBDMS,isomer#5 | JsmolC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O[Si](C)(C)C(C)(C)C | TBDMS | 880.6284 | Semi standard non polar | 4197.9062 |
RI00019336 | 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid | Jsmol[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@H](O)C[C@@]1([H])[C@@]2([H])[C@@H](O)[C@@H](O)[C@]2([H])C[C@H](O)CC[C@]12C | Underivatized | 424.2825 | Standard polar | 4156.788 |
RI00019337 | 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid | Jsmol[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@H](O)C[C@@]1([H])[C@@]2([H])[C@@H](O)[C@@H](O)[C@]2([H])C[C@H](O)CC[C@]12C | Underivatized | 424.2825 | Standard non polar | 3604.812 |
RI00019338 | 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid | Jsmol[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@H](O)C[C@@]1([H])[C@@]2([H])[C@@H](O)[C@@H](O)[C@]2([H])C[C@H](O)CC[C@]12C | Underivatized | 424.2825 | Semi standard non polar | 3817.7827 |
RI00019339 | 2-Methylbutyroylcarnitine | JsmolCCC(C)C(=O)OC(CC([O-])=O)C[N+](C)(C)C | Underivatized | 245.1627 | Standard polar | 1893.3083 |
RI00019340 | 2-Methylbutyroylcarnitine | JsmolCCC(C)C(=O)OC(CC([O-])=O)C[N+](C)(C)C | Underivatized | 245.1627 | Standard non polar | 1312.7059 |
RI00019341 | 2-Methylbutyroylcarnitine | JsmolCCC(C)C(=O)OC(CC([O-])=O)C[N+](C)(C)C | Underivatized | 245.1627 | Semi standard non polar | 1513.2878 |
RI00019342 | 2-Methylcitric acid,1TMS,isomer#1 | JsmolCC(C(=O)O[Si](C)(C)C)C(O)(CC(=O)O)C(=O)O | TMS | 278.0822 | Semi standard non polar | 1738.0049 |
RI00019343 | 2-Methylcitric acid,1TMS,isomer#2 | JsmolCC(C(=O)O)C(CC(=O)O)(O[Si](C)(C)C)C(=O)O | TMS | 278.0822 | Semi standard non polar | 1768.2188 |
RI00019344 | 2-Methylcitric acid,1TMS,isomer#3 | JsmolCC(C(=O)O)C(O)(CC(=O)O[Si](C)(C)C)C(=O)O | TMS | 278.0822 | Semi standard non polar | 1741.2711 |
RI00019345 | 2-Methylcitric acid,1TMS,isomer#4 | JsmolCC(C(=O)O)C(O)(CC(=O)O)C(=O)O[Si](C)(C)C | TMS | 278.0822 | Semi standard non polar | 1707.5568 |
RI00019346 | 2-Methylcitric acid,2TMS,isomer#1 | JsmolCC(C(=O)O[Si](C)(C)C)C(CC(=O)O)(O[Si](C)(C)C)C(=O)O | TMS | 350.1217 | Semi standard non polar | 1787.3071 |
RI00019347 | 2-Methylcitric acid,2TMS,isomer#2 | JsmolCC(C(=O)O[Si](C)(C)C)C(O)(CC(=O)O[Si](C)(C)C)C(=O)O | TMS | 350.1217 | Semi standard non polar | 1773.3256 |
RI00019348 | 2-Methylcitric acid,2TMS,isomer#3 | JsmolCC(C(=O)O[Si](C)(C)C)C(O)(CC(=O)O)C(=O)O[Si](C)(C)C | TMS | 350.1217 | Semi standard non polar | 1749.9398 |
RI00019349 | 2-Methylcitric acid,2TMS,isomer#4 | JsmolCC(C(=O)O)C(CC(=O)O[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O | TMS | 350.1217 | Semi standard non polar | 1789.1055 |
RI00019350 | 2-Methylcitric acid,2TMS,isomer#5 | JsmolCC(C(=O)O)C(CC(=O)O)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C | TMS | 350.1217 | Semi standard non polar | 1776.0945 |