RI00022301 | 7-Hydroxy-3-oxocholanoic acid,3TMS,isomer#1 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C)C1CC[C@H]2[C@@H]3[C@@H](O[Si](C)(C)C)C[C@H]4CC(O[Si](C)(C)C)=CC[C@]4(C)[C@H]3CC[C@]12C | TMS | 606.3956 | Semi standard non polar | 3272.7766 |
RI00022302 | 7-Hydroxy-3-oxocholanoic acid,3TMS,isomer#2 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C)C1CC[C@H]2[C@@H]3[C@@H](O[Si](C)(C)C)C[C@H]4C=C(O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C | TMS | 606.3956 | Semi standard non polar | 3249.7092 |
RI00022303 | 7-Hydroxy-3-oxocholanoic acid,3TBDMS,isomer#1 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC[C@H]2[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]4CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3CC[C@]12C | TBDMS | 732.5364 | Semi standard non polar | 3916.957 |
RI00022304 | 7-Hydroxy-3-oxocholanoic acid,3TBDMS,isomer#2 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC[C@H]2[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]4C=C(O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C | TBDMS | 732.5364 | Semi standard non polar | 3879.6504 |
RI00022305 | 7-Hydroxy-3-oxocholanoic acid,3TMS,isomer#1 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C)C1CC[C@H]2[C@@H]3[C@@H](O[Si](C)(C)C)C[C@H]4CC(O[Si](C)(C)C)=CC[C@]4(C)[C@H]3CC[C@]12C | TMS | 606.3956 | Standard polar | 3611.0056 |
RI00022306 | 7-Hydroxy-3-oxocholanoic acid,3TMS,isomer#2 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C)C1CC[C@H]2[C@@H]3[C@@H](O[Si](C)(C)C)C[C@H]4C=C(O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C | TMS | 606.3956 | Standard polar | 3610.813 |
RI00022307 | 7-Hydroxy-3-oxocholanoic acid,3TBDMS,isomer#1 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC[C@H]2[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]4CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3CC[C@]12C | TBDMS | 732.5364 | Standard polar | 3854.5793 |
RI00022308 | 7-Hydroxy-3-oxocholanoic acid,3TBDMS,isomer#2 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC[C@H]2[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]4C=C(O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C | TBDMS | 732.5364 | Standard polar | 3855.494 |
RI00022309 | Allantoin | JsmolNC(=O)NC1NC(=O)NC1=O | Underivatized | 158.044 | Standard polar | 3170.1436 |
RI00022310 | Allantoin,1TMS,isomer#1 | JsmolC[Si](C)(C)NC(=O)NC1NC(=O)NC1=O | TMS | 230.0835 | Standard non polar | 1949.9053 |
RI00022311 | Allantoin,1TMS,isomer#2 | JsmolC[Si](C)(C)N(C(N)=O)C1NC(=O)NC1=O | TMS | 230.0835 | Standard non polar | 1917.8713 |
RI00022312 | Allantoin,1TMS,isomer#3 | JsmolC[Si](C)(C)N1C(=O)NC(=O)C1NC(N)=O | TMS | 230.0835 | Standard non polar | 1922.9601 |
RI00022313 | Allantoin,1TMS,isomer#4 | JsmolC[Si](C)(C)N1C(=O)NC(NC(N)=O)C1=O | TMS | 230.0835 | Standard non polar | 1906.6685 |
RI00022314 | Allantoin,2TMS,isomer#1 | JsmolC[Si](C)(C)N(C(=O)NC1NC(=O)NC1=O)[Si](C)(C)C | TMS | 302.123 | Standard non polar | 2057.8557 |
RI00022315 | Allantoin,2TMS,isomer#2 | JsmolC[Si](C)(C)NC(=O)N(C1NC(=O)NC1=O)[Si](C)(C)C | TMS | 302.123 | Standard non polar | 2055.4775 |
RI00022316 | Allantoin,2TMS,isomer#3 | JsmolC[Si](C)(C)NC(=O)NC1C(=O)NC(=O)N1[Si](C)(C)C | TMS | 302.123 | Standard non polar | 2043.362 |
RI00022317 | Allantoin,2TMS,isomer#4 | JsmolC[Si](C)(C)NC(=O)NC1NC(=O)N([Si](C)(C)C)C1=O | TMS | 302.123 | Standard non polar | 2025.917 |
RI00022318 | Allantoin,2TMS,isomer#5 | JsmolC[Si](C)(C)N(C(N)=O)C1C(=O)NC(=O)N1[Si](C)(C)C | TMS | 302.123 | Standard non polar | 1993.6696 |
RI00022319 | Allantoin,2TMS,isomer#6 | JsmolC[Si](C)(C)N1C(=O)NC(N(C(N)=O)[Si](C)(C)C)C1=O | TMS | 302.123 | Standard non polar | 1965.2152 |
RI00022320 | Allantoin,2TMS,isomer#7 | JsmolC[Si](C)(C)N1C(=O)C(NC(N)=O)N([Si](C)(C)C)C1=O | TMS | 302.123 | Standard non polar | 1944.3629 |
RI00022321 | Allantoin,3TMS,isomer#1 | JsmolC[Si](C)(C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C1NC(=O)NC1=O | TMS | 374.1626 | Standard non polar | 2105.5208 |
RI00022322 | Allantoin,3TMS,isomer#2 | JsmolC[Si](C)(C)N1C(=O)NC(=O)C1NC(=O)N([Si](C)(C)C)[Si](C)(C)C | TMS | 374.1626 | Standard non polar | 2132.4119 |
RI00022323 | Allantoin,3TMS,isomer#3 | JsmolC[Si](C)(C)N1C(=O)NC(NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C1=O | TMS | 374.1626 | Standard non polar | 2151.1353 |
RI00022324 | Allantoin,3TMS,isomer#4 | JsmolC[Si](C)(C)NC(=O)N(C1C(=O)NC(=O)N1[Si](C)(C)C)[Si](C)(C)C | TMS | 374.1626 | Standard non polar | 2150.251 |
RI00022325 | Allantoin,3TMS,isomer#5 | JsmolC[Si](C)(C)NC(=O)N(C1NC(=O)N([Si](C)(C)C)C1=O)[Si](C)(C)C | TMS | 374.1626 | Standard non polar | 2145.0808 |