RI01708301 | 3-dehydrosphinganine (C20),1TBDMS,isomer#2 | JsmolCCCCCCCCCCCCCCCCCC(O[Si](C)(C)C(C)(C)C)=C([N+])CO | TBDMS | 439.384 | Standard non polar | 2841.1428 |
RI01708300 | 3-dehydrosphinganine (C20),1TBDMS,isomer#1 | JsmolCCCCCCCCCCCCCCCCCC(=O)C([N+])CO[Si](C)(C)C(C)(C)C | TBDMS | 439.384 | Standard non polar | 2831.9558 |
RI01708299 | 3-dehydrosphinganine (C20),2TMS,isomer#2 | JsmolCCCCCCCCCCCCCCCCC=C(O[Si](C)(C)C)C([N+])CO[Si](C)(C)C | TMS | 469.3766 | Standard non polar | 2703.369 |
RI01708298 | 3-dehydrosphinganine (C20),2TMS,isomer#1 | JsmolCCCCCCCCCCCCCCCCCC(O[Si](C)(C)C)=C([N+])CO[Si](C)(C)C | TMS | 469.3766 | Standard non polar | 2758.8682 |
RI01708297 | 3-dehydrosphinganine (C20),1TMS,isomer#3 | JsmolCCCCCCCCCCCCCCCCC=C(O[Si](C)(C)C)C([N+])CO | TMS | 397.3371 | Standard non polar | 2590.997 |
RI01708296 | 3-dehydrosphinganine (C20),1TMS,isomer#2 | JsmolCCCCCCCCCCCCCCCCCC(O[Si](C)(C)C)=C([N+])CO | TMS | 397.3371 | Standard non polar | 2661.5818 |
RI01708295 | 3-dehydrosphinganine (C20),1TMS,isomer#1 | JsmolCCCCCCCCCCCCCCCCCC(=O)C([N+])CO[Si](C)(C)C | TMS | 397.3371 | Standard non polar | 2639.2373 |
RI01708294 | 3-dehydroshikimate,3TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC1=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)CC(C(=O)[O-])=C1 | TBDMS | 513.2893 | Standard polar | 2317.4883 |
RI01708293 | 3-dehydroshikimate,3TMS,isomer#1 | JsmolC[Si](C)(C)OC1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)CC(C(=O)[O-])=C1 | TMS | 387.1485 | Standard polar | 2021.9688 |
RI01708292 | 3-dehydroshikimate,3TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC1=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)CC(C(=O)[O-])=C1 | TBDMS | 513.2893 | Semi standard non polar | 2497.0393 |
RI01708291 | 3-dehydroshikimate,3TMS,isomer#1 | JsmolC[Si](C)(C)OC1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)CC(C(=O)[O-])=C1 | TMS | 387.1485 | Semi standard non polar | 1778.4165 |
RI01708290 | 3-dehydroshikimate,3TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC1=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)CC(C(=O)[O-])=C1 | TBDMS | 513.2893 | Standard non polar | 2379.392 |
RI01708289 | 3-dehydroshikimate,3TMS,isomer#1 | JsmolC[Si](C)(C)OC1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)CC(C(=O)[O-])=C1 | TMS | 387.1485 | Standard non polar | 1755.8436 |
RI01708288 | 3-dehydrocholate,3TBDMS,isomer#2 | JsmolCC(CCC(=O)[O-])C1CCC2C3C(O[Si](C)(C)C(C)(C)C)CC4C=C(O[Si](C)(C)C(C)(C)C)CCC4(C)C3CC(O[Si](C)(C)C(C)(C)C)C12C | TBDMS | 747.5241 | Standard polar | 3745.8823 |
RI01708287 | 3-dehydrocholate,3TBDMS,isomer#1 | JsmolCC(CCC(=O)[O-])C1CCC2C3C(O[Si](C)(C)C(C)(C)C)CC4CC(O[Si](C)(C)C(C)(C)C)=CCC4(C)C3CC(O[Si](C)(C)C(C)(C)C)C12C | TBDMS | 747.5241 | Standard polar | 3738.5908 |
RI01708286 | 3-dehydrocholate,3TMS,isomer#2 | JsmolCC(CCC(=O)[O-])C1CCC2C3C(O[Si](C)(C)C)CC4C=C(O[Si](C)(C)C)CCC4(C)C3CC(O[Si](C)(C)C)C12C | TMS | 621.3832 | Standard polar | 3528.4458 |
RI01708285 | 3-dehydrocholate,3TMS,isomer#1 | JsmolCC(CCC(=O)[O-])C1CCC2C3C(O[Si](C)(C)C)CC4CC(O[Si](C)(C)C)=CCC4(C)C3CC(O[Si](C)(C)C)C12C | TMS | 621.3832 | Standard polar | 3523.5251 |
RI01708284 | 3-dehydrocholate,3TBDMS,isomer#2 | JsmolCC(CCC(=O)[O-])C1CCC2C3C(O[Si](C)(C)C(C)(C)C)CC4C=C(O[Si](C)(C)C(C)(C)C)CCC4(C)C3CC(O[Si](C)(C)C(C)(C)C)C12C | TBDMS | 747.5241 | Semi standard non polar | 4106.807 |
RI01708283 | 3-dehydrocholate,3TBDMS,isomer#1 | JsmolCC(CCC(=O)[O-])C1CCC2C3C(O[Si](C)(C)C(C)(C)C)CC4CC(O[Si](C)(C)C(C)(C)C)=CCC4(C)C3CC(O[Si](C)(C)C(C)(C)C)C12C | TBDMS | 747.5241 | Semi standard non polar | 4094.0056 |
RI01708282 | 3-dehydrocholate,3TMS,isomer#2 | JsmolCC(CCC(=O)[O-])C1CCC2C3C(O[Si](C)(C)C)CC4C=C(O[Si](C)(C)C)CCC4(C)C3CC(O[Si](C)(C)C)C12C | TMS | 621.3832 | Semi standard non polar | 3413.054 |
RI01708281 | 3-dehydrocholate,3TMS,isomer#1 | JsmolCC(CCC(=O)[O-])C1CCC2C3C(O[Si](C)(C)C)CC4CC(O[Si](C)(C)C)=CCC4(C)C3CC(O[Si](C)(C)C)C12C | TMS | 621.3832 | Semi standard non polar | 3401.9753 |
RI01708280 | 3-dehydrocholate,3TBDMS,isomer#2 | JsmolCC(CCC(=O)[O-])C1CCC2C3C(O[Si](C)(C)C(C)(C)C)CC4C=C(O[Si](C)(C)C(C)(C)C)CCC4(C)C3CC(O[Si](C)(C)C(C)(C)C)C12C | TBDMS | 747.5241 | Standard non polar | 3866.8816 |
RI01708279 | 3-dehydrocholate,3TBDMS,isomer#1 | JsmolCC(CCC(=O)[O-])C1CCC2C3C(O[Si](C)(C)C(C)(C)C)CC4CC(O[Si](C)(C)C(C)(C)C)=CCC4(C)C3CC(O[Si](C)(C)C(C)(C)C)C12C | TBDMS | 747.5241 | Standard non polar | 3763.0579 |
RI01708278 | 3-dehydrocholate,3TMS,isomer#2 | JsmolCC(CCC(=O)[O-])C1CCC2C3C(O[Si](C)(C)C)CC4C=C(O[Si](C)(C)C)CCC4(C)C3CC(O[Si](C)(C)C)C12C | TMS | 621.3832 | Standard non polar | 3239.2153 |
RI01708277 | 3-dehydrocholate,3TMS,isomer#1 | JsmolCC(CCC(=O)[O-])C1CCC2C3C(O[Si](C)(C)C)CC4CC(O[Si](C)(C)C)=CCC4(C)C3CC(O[Si](C)(C)C)C12C | TMS | 621.3832 | Standard non polar | 3220.6008 |