RI00022751 | 3-Oxo-4,6-choladienoic acid,2TMS,isomer#1 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(O[Si](C)(C)C)=CC[C@]4(C)[C@H]3CC[C@@]21C | TMS | 514.3298 | Standard non polar | 3273.353 |
RI00022752 | 3-Oxo-4,6-choladienoic acid,2TBDMS,isomer#1 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3CC[C@@]21C | TBDMS | 598.4237 | Standard non polar | 3695.302 |
RI00022753 | 3-Oxo-4,6-choladienoic acid | Jsmol[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@]12C | Underivatized | 370.2508 | Standard non polar | 3089.0657 |
RI00022754 | 3-Oxo-4,6-choladienoic acid | Jsmol[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@]12C | Underivatized | 370.2508 | Semi standard non polar | 3393.5303 |
RI00022755 | 3-Oxo-4,6-choladienoic acid,2TMS,isomer#1 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(O[Si](C)(C)C)=CC[C@]4(C)[C@H]3CC[C@@]21C | TMS | 514.3298 | Semi standard non polar | 3334.5322 |
RI00022756 | 3-Oxo-4,6-choladienoic acid,2TBDMS,isomer#1 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3CC[C@@]21C | TBDMS | 598.4237 | Semi standard non polar | 3859.1672 |
RI00022757 | 3-Oxo-4,6-choladienoic acid,2TMS,isomer#1 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(O[Si](C)(C)C)=CC[C@]4(C)[C@H]3CC[C@@]21C | TMS | 514.3298 | Standard polar | 3768.3152 |
RI00022758 | 3-Oxo-4,6-choladienoic acid,2TBDMS,isomer#1 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3CC[C@@]21C | TBDMS | 598.4237 | Standard polar | 3982.1765 |
RI00022759 | 7Z,10Z-Hexadecadienoic acid,1TMS,isomer#1 | JsmolCCCCC/C=C\C/C=C\CCCCCC(=O)O[Si](C)(C)C | TMS | 324.2485 | Semi standard non polar | 2017.4103 |
RI00022760 | 7Z,10Z-Hexadecadienoic acid,1TBDMS,isomer#1 | JsmolCCCCC/C=C\C/C=C\CCCCCC(=O)O[Si](C)(C)C(C)(C)C | TBDMS | 366.2954 | Semi standard non polar | 2255.0876 |
RI00022761 | 7Z,10Z-Hexadecadienoic acid | JsmolCCCCC\C=C/C\C=C/CCCCCC(O)=O | Underivatized | 252.2089 | Standard polar | 3044.605 |
RI00022762 | 7Z,10Z-Hexadecadienoic acid | JsmolCCCCC\C=C/C\C=C/CCCCCC(O)=O | Underivatized | 252.2089 | Standard non polar | 1876.1028 |
RI00022763 | 7Z,10Z-Hexadecadienoic acid | JsmolCCCCC\C=C/C\C=C/CCCCCC(O)=O | Underivatized | 252.2089 | Semi standard non polar | 1945.1469 |
RI00022764 | Allodeoxycholic acid,1TMS,isomer#1 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C)C1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C | TMS | 464.3322 | Semi standard non polar | 3311.266 |
RI00022765 | Allodeoxycholic acid,1TMS,isomer#2 | JsmolC[C@H](CCC(=O)O)C1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O[Si](C)(C)C)[C@]12C | TMS | 464.3322 | Semi standard non polar | 3369.726 |
RI00022766 | Allodeoxycholic acid,1TMS,isomer#3 | JsmolC[C@H](CCC(=O)O)C1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C | TMS | 464.3322 | Semi standard non polar | 3408.4338 |
RI00022767 | Allodeoxycholic acid,2TMS,isomer#1 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C)C1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C | TMS | 536.3717 | Semi standard non polar | 3329.356 |
RI00022768 | Allodeoxycholic acid,2TMS,isomer#2 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C)C1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O[Si](C)(C)C)[C@]12C | TMS | 536.3717 | Semi standard non polar | 3282.923 |
RI00022769 | Allodeoxycholic acid,2TMS,isomer#3 | JsmolC[C@H](CCC(=O)O)C1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3C[C@H](O[Si](C)(C)C)[C@]12C | TMS | 536.3717 | Semi standard non polar | 3328.9255 |
RI00022770 | Allodeoxycholic acid,3TMS,isomer#1 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C)C1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3C[C@H](O[Si](C)(C)C)[C@]12C | TMS | 608.4112 | Semi standard non polar | 3280.4048 |
RI00022771 | Allodeoxycholic acid,1TBDMS,isomer#1 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C | TBDMS | 506.3791 | Semi standard non polar | 3578.8086 |
RI00022772 | Allodeoxycholic acid,1TBDMS,isomer#2 | JsmolC[C@H](CCC(=O)O)C1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O[Si](C)(C)C(C)(C)C)[C@]12C | TBDMS | 506.3791 | Semi standard non polar | 3594.599 |
RI00022773 | Allodeoxycholic acid,1TBDMS,isomer#3 | JsmolC[C@H](CCC(=O)O)C1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C | TBDMS | 506.3791 | Semi standard non polar | 3628.768 |
RI00022774 | Allodeoxycholic acid,2TBDMS,isomer#1 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C | TBDMS | 620.4656 | Semi standard non polar | 3799.9148 |
RI00022775 | Allodeoxycholic acid,2TBDMS,isomer#2 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O[Si](C)(C)C(C)(C)C)[C@]12C | TBDMS | 620.4656 | Semi standard non polar | 3781.07 |