RI00022426 | Allantoin,5TMS,isomer#1 | JsmolC[Si](C)(C)N1C(=O)C(N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C1=O | TMS | 518.2416 | Standard polar | 2294.4482 |
RI00022427 | Allantoin,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)NC(=O)NC1NC(=O)NC1=O | TBDMS | 272.1305 | Standard polar | 4549.1025 |
RI00022428 | Allantoin,1TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)N(C(N)=O)C1NC(=O)NC1=O | TBDMS | 272.1305 | Standard polar | 4178.151 |
RI00022429 | Allantoin,1TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)N1C(=O)NC(=O)C1NC(N)=O | TBDMS | 272.1305 | Standard polar | 3923.8496 |
RI00022430 | Allantoin,1TBDMS,isomer#4 | JsmolCC(C)(C)[Si](C)(C)N1C(=O)NC(NC(N)=O)C1=O | TBDMS | 272.1305 | Standard polar | 3839.9006 |
RI00022431 | Allantoin,2TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)N(C(=O)NC1NC(=O)NC1=O)[Si](C)(C)C(C)(C)C | TBDMS | 386.2169 | Standard polar | 4272.7734 |
RI00022432 | Allantoin,2TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)NC(=O)N(C1NC(=O)NC1=O)[Si](C)(C)C(C)(C)C | TBDMS | 386.2169 | Standard polar | 4033.6392 |
RI00022433 | Allantoin,2TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)NC(=O)NC1C(=O)NC(=O)N1[Si](C)(C)C(C)(C)C | TBDMS | 386.2169 | Standard polar | 3685.181 |
RI00022434 | Allantoin,2TBDMS,isomer#4 | JsmolCC(C)(C)[Si](C)(C)NC(=O)NC1NC(=O)N([Si](C)(C)C(C)(C)C)C1=O | TBDMS | 386.2169 | Standard polar | 3522.1282 |
RI00022435 | Allantoin,2TBDMS,isomer#5 | JsmolCC(C)(C)[Si](C)(C)N(C(N)=O)C1C(=O)NC(=O)N1[Si](C)(C)C(C)(C)C | TBDMS | 386.2169 | Standard polar | 3500.9507 |
RI00022436 | Allantoin,2TBDMS,isomer#6 | JsmolCC(C)(C)[Si](C)(C)N1C(=O)NC(N(C(N)=O)[Si](C)(C)C(C)(C)C)C1=O | TBDMS | 386.2169 | Standard polar | 3420.0913 |
RI00022437 | Allantoin,2TBDMS,isomer#7 | JsmolCC(C)(C)[Si](C)(C)N1C(=O)C(NC(N)=O)N([Si](C)(C)C(C)(C)C)C1=O | TBDMS | 386.2169 | Standard polar | 3167.109 |
RI00022438 | Allantoin,3TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1NC(=O)NC1=O | TBDMS | 500.3034 | Standard polar | 3806.735 |
RI00022439 | Allantoin,3TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)N1C(=O)NC(=O)C1NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 500.3034 | Standard polar | 3556.6804 |
RI00022440 | Allantoin,3TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)N1C(=O)NC(NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1=O | TBDMS | 500.3034 | Standard polar | 3411.0908 |
RI00022441 | Allantoin,3TBDMS,isomer#4 | JsmolCC(C)(C)[Si](C)(C)NC(=O)N(C1C(=O)NC(=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 500.3034 | Standard polar | 3403.4807 |
RI00022442 | Allantoin,3TBDMS,isomer#5 | JsmolCC(C)(C)[Si](C)(C)NC(=O)N(C1NC(=O)N([Si](C)(C)C(C)(C)C)C1=O)[Si](C)(C)C(C)(C)C | TBDMS | 500.3034 | Standard polar | 3331.569 |
RI00022443 | Allantoin,3TBDMS,isomer#6 | JsmolCC(C)(C)[Si](C)(C)NC(=O)NC1C(=O)N([Si](C)(C)C(C)(C)C)C(=O)N1[Si](C)(C)C(C)(C)C | TBDMS | 500.3034 | Standard polar | 2893.779 |
RI00022444 | Allantoin,3TBDMS,isomer#7 | JsmolCC(C)(C)[Si](C)(C)N1C(=O)C(N(C(N)=O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C1=O | TBDMS | 500.3034 | Standard polar | 2937.0771 |
RI00022445 | Allantoin,4TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)N1C(=O)NC(=O)C1N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 614.3899 | Standard polar | 3259.5483 |
RI00022446 | Allantoin,4TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)N1C(=O)NC(N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1=O | TBDMS | 614.3899 | Standard polar | 3210.2324 |
RI00022447 | Allantoin,4TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)N1C(=O)C(NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C1=O | TBDMS | 614.3899 | Standard polar | 2869.648 |
RI00022448 | Allantoin,4TBDMS,isomer#4 | JsmolCC(C)(C)[Si](C)(C)NC(=O)N(C1C(=O)N([Si](C)(C)C(C)(C)C)C(=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 614.3899 | Standard polar | 2768.3975 |
RI00022449 | Allantoin,5TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)N1C(=O)C(N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C1=O | TBDMS | 728.4764 | Standard polar | 2701.3533 |
RI00022450 | Calcium | Jsmol[Ca++] | Underivatized | 39.9615 | Standard polar | 691.0975 |