RIpred (Beta) is still undergoing development. Please feel free to explore and use the predictor. Please provide us with your feedback..

Displaying retention index compounds 19326 - 19350 of 1722868 in total
RIpred ID Structure Name Chemical Structure Derivatization Type
Base compound Mass
GC Column/Stationary Phase Retention Index
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,3TBDMS,isomer#6JsmolC[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)CTBDMS766.5419Semi standard non polar3928.1553
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,3TBDMS,isomer#7JsmolC[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]3OTBDMS766.5419Semi standard non polar3979.6084
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,3TBDMS,isomer#8JsmolC[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)CTBDMS766.5419Semi standard non polar4021.8962
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,3TBDMS,isomer#9JsmolC[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)CTBDMS766.5419Semi standard non polar3979.0557
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,3TBDMS,isomer#10JsmolC[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)CTBDMS766.5419Semi standard non polar3961.0156
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,4TBDMS,isomer#1JsmolC[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]3OTBDMS880.6284Semi standard non polar4161.2915
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,4TBDMS,isomer#2JsmolC[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)CTBDMS880.6284Semi standard non polar4199.697
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,4TBDMS,isomer#3JsmolC[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)CTBDMS880.6284Semi standard non polar4168.4536
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,4TBDMS,isomer#4JsmolC[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)CTBDMS880.6284Semi standard non polar4152.457
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,4TBDMS,isomer#5JsmolC[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)CTBDMS880.6284Semi standard non polar4197.9062
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acidJsmol[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@]12CUnderivatized424.2825Standard polar4156.788
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acidJsmol[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@]12CUnderivatized424.2825Standard non polar3604.812
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acidJsmol[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@]12CUnderivatized424.2825Semi standard non polar3817.7827
2-MethylbutyroylcarnitineJsmolCCC(C)C(=O)OC(CC([O-])=O)C[N+](C)(C)CUnderivatized245.1627Standard polar1893.3083
2-MethylbutyroylcarnitineJsmolCCC(C)C(=O)OC(CC([O-])=O)C[N+](C)(C)CUnderivatized245.1627Standard non polar1312.7059
2-MethylbutyroylcarnitineJsmolCCC(C)C(=O)OC(CC([O-])=O)C[N+](C)(C)CUnderivatized245.1627Semi standard non polar1513.2878
2-Methylcitric acid,1TMS,isomer#1JsmolCC(C(=O)O[Si](C)(C)C)C(O)(CC(=O)O)C(=O)OTMS278.0822Semi standard non polar1738.0049
2-Methylcitric acid,1TMS,isomer#2JsmolCC(C(=O)O)C(CC(=O)O)(O[Si](C)(C)C)C(=O)OTMS278.0822Semi standard non polar1768.2188
2-Methylcitric acid,1TMS,isomer#3JsmolCC(C(=O)O)C(O)(CC(=O)O[Si](C)(C)C)C(=O)OTMS278.0822Semi standard non polar1741.2711
2-Methylcitric acid,1TMS,isomer#4JsmolCC(C(=O)O)C(O)(CC(=O)O)C(=O)O[Si](C)(C)CTMS278.0822Semi standard non polar1707.5568
2-Methylcitric acid,2TMS,isomer#1JsmolCC(C(=O)O[Si](C)(C)C)C(CC(=O)O)(O[Si](C)(C)C)C(=O)OTMS350.1217Semi standard non polar1787.3071
2-Methylcitric acid,2TMS,isomer#2JsmolCC(C(=O)O[Si](C)(C)C)C(O)(CC(=O)O[Si](C)(C)C)C(=O)OTMS350.1217Semi standard non polar1773.3256
2-Methylcitric acid,2TMS,isomer#3JsmolCC(C(=O)O[Si](C)(C)C)C(O)(CC(=O)O)C(=O)O[Si](C)(C)CTMS350.1217Semi standard non polar1749.9398
2-Methylcitric acid,2TMS,isomer#4JsmolCC(C(=O)O)C(CC(=O)O[Si](C)(C)C)(O[Si](C)(C)C)C(=O)OTMS350.1217Semi standard non polar1789.1055
2-Methylcitric acid,2TMS,isomer#5JsmolCC(C(=O)O)C(CC(=O)O)(O[Si](C)(C)C)C(=O)O[Si](C)(C)CTMS350.1217Semi standard non polar1776.0945
Displaying retention index compounds 19326 - 19350 of 1722868 in total