RI00021326 | 3b,12a-Dihydroxy-5b-cholanoic acid,2TMS,isomer#2 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC[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@@]21C | TMS | 536.3717 | Semi standard non polar | 3285.4995 |
RI00021327 | 3b,12a-Dihydroxy-5b-cholanoic acid,2TMS,isomer#3 | JsmolC[C@H](CCC(=O)O)[C@H]1CC[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@@]21C | TMS | 536.3717 | Semi standard non polar | 3308.271 |
RI00021328 | 3b,12a-Dihydroxy-5b-cholanoic acid,3TMS,isomer#1 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC[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@@]21C | TMS | 608.4112 | Semi standard non polar | 3270.3984 |
RI00021329 | 3b,12a-Dihydroxy-5b-cholanoic acid,1TBDMS,isomer#1 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C | TBDMS | 506.3791 | Semi standard non polar | 3553.3845 |
RI00021330 | 3b,12a-Dihydroxy-5b-cholanoic acid,1TBDMS,isomer#2 | JsmolC[C@H](CCC(=O)O)[C@H]1CC[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@@]21C | TBDMS | 506.3791 | Semi standard non polar | 3585.1748 |
RI00021331 | 3b,12a-Dihydroxy-5b-cholanoic acid,1TBDMS,isomer#3 | JsmolC[C@H](CCC(=O)O)[C@H]1CC[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@@]21C | TBDMS | 506.3791 | Semi standard non polar | 3592.5366 |
RI00021332 | 3b,12a-Dihydroxy-5b-cholanoic 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]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@@]21C | TBDMS | 620.4656 | Semi standard non polar | 3785.22 |
RI00021333 | 3b,12a-Dihydroxy-5b-cholanoic acid,2TBDMS,isomer#2 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[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@@]21C | TBDMS | 620.4656 | Semi standard non polar | 3775.7417 |
RI00021334 | 3b,12a-Dihydroxy-5b-cholanoic acid,2TBDMS,isomer#3 | JsmolC[C@H](CCC(=O)O)[C@H]1CC[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[Si](C)(C)C(C)(C)C)[C@@]21C | TBDMS | 620.4656 | Semi standard non polar | 3758.63 |
RI00021335 | 3b,12a-Dihydroxy-5b-cholanoic acid,3TBDMS,isomer#1 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[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[Si](C)(C)C(C)(C)C)[C@@]21C | TBDMS | 734.5521 | Semi standard non polar | 3984.1072 |
RI00021336 | 3b,12a-Dihydroxy-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])CC[C@]2([H])C[C@@H](O)CC[C@]12C | Underivatized | 392.2927 | Standard polar | 3905.3838 |
RI00021337 | 3b,12a-Dihydroxy-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])CC[C@]2([H])C[C@@H](O)CC[C@]12C | Underivatized | 392.2927 | Standard non polar | 3315.4275 |
RI00021338 | 3b,12a-Dihydroxy-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])CC[C@]2([H])C[C@@H](O)CC[C@]12C | Underivatized | 392.2927 | Semi standard non polar | 3477.9966 |
RI00021339 | 2-Furoylglycine,1TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)CNC(=O)C1=CC=CO1 | TMS | 241.077 | Semi standard non polar | 1639.1908 |
RI00021340 | 2-Furoylglycine,1TMS,isomer#2 | JsmolC[Si](C)(C)N(CC(=O)O)C(=O)C1=CC=CO1 | TMS | 241.077 | Semi standard non polar | 1681.2875 |
RI00021341 | 2-Furoylglycine,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C1=CC=CO1 | TBDMS | 283.124 | Semi standard non polar | 1879.9722 |
RI00021342 | 2-Furoylglycine,1TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)C1=CC=CO1 | TBDMS | 283.124 | Semi standard non polar | 1926.4672 |
RI00021343 | 2-Furoylglycine | JsmolOC(=O)CNC(=O)C1=CC=CO1 | Underivatized | 169.0375 | Standard polar | 2542.7974 |
RI00021344 | 2-Furoylglycine,2TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)CN(C(=O)C1=CC=CO1)[Si](C)(C)C | TMS | 313.1166 | Standard non polar | 1624.3033 |
RI00021345 | 2-Furoylglycine,2TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C1=CC=CO1)[Si](C)(C)C(C)(C)C | TBDMS | 397.2105 | Standard non polar | 1995.7229 |
RI00021346 | 2-Furoylglycine | JsmolOC(=O)CNC(=O)C1=CC=CO1 | Underivatized | 169.0375 | Standard non polar | 1540.4993 |
RI00021347 | 2-Furoylglycine | JsmolOC(=O)CNC(=O)C1=CC=CO1 | Underivatized | 169.0375 | Semi standard non polar | 1648.3094 |
RI00021348 | 2-Furoylglycine,2TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)CN(C(=O)C1=CC=CO1)[Si](C)(C)C | TMS | 313.1166 | Semi standard non polar | 1661.4604 |
RI00021349 | 2-Furoylglycine,2TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C1=CC=CO1)[Si](C)(C)C(C)(C)C | TBDMS | 397.2105 | Semi standard non polar | 2141.9326 |
RI00021350 | 2-Furoylglycine,2TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)CN(C(=O)C1=CC=CO1)[Si](C)(C)C | TMS | 313.1166 | Standard polar | 1998.4369 |