RI00022476 | Nutriacholic acid,2TBDMS,isomer#2 | JsmolC[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC[C@H]2C3=C(O[Si](C)(C)C(C)(C)C)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C | TBDMS | 618.45 | Semi standard non polar | 3751.7566 |
RI00022477 | Nutriacholic acid,2TBDMS,isomer#3 | JsmolC[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC[C@H]2[C@@H]3C(O[Si](C)(C)C(C)(C)C)=C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C | TBDMS | 618.45 | Semi standard non polar | 3665.7983 |
RI00022478 | Nutriacholic acid,2TBDMS,isomer#4 | JsmolC[C@@H](CCC(=O)O)C1CC[C@H]2C3=C(O[Si](C)(C)C(C)(C)C)C[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C | TBDMS | 618.45 | Semi standard non polar | 3753.282 |
RI00022479 | Nutriacholic acid,2TBDMS,isomer#5 | JsmolC[C@@H](CCC(=O)O)C1CC[C@H]2[C@@H]3C(O[Si](C)(C)C(C)(C)C)=C[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C | TBDMS | 618.45 | Semi standard non polar | 3667.3555 |
RI00022480 | Nutriacholic acid | Jsmol[H][C@@]12CCC([C@@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C(=O)C[C@]2([H])C[C@H](O)CC[C@]12C | Underivatized | 390.277 | Standard polar | 3599.6504 |
RI00022481 | Nutriacholic acid,3TMS,isomer#1 | JsmolC[C@@H](CCC(=O)O[Si](C)(C)C)C1CC[C@H]2C3=C(O[Si](C)(C)C)C[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C | TMS | 606.3956 | Standard non polar | 3336.0532 |
RI00022482 | Nutriacholic acid,3TMS,isomer#2 | JsmolC[C@@H](CCC(=O)O[Si](C)(C)C)C1CC[C@H]2[C@@H]3C(O[Si](C)(C)C)=C[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C | TMS | 606.3956 | Standard non polar | 3275.839 |
RI00022483 | Nutriacholic acid,3TBDMS,isomer#1 | JsmolC[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC[C@H]2C3=C(O[Si](C)(C)C(C)(C)C)C[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C | TBDMS | 732.5364 | Standard non polar | 3945.0867 |
RI00022484 | Nutriacholic acid,3TBDMS,isomer#2 | JsmolC[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC[C@H]2[C@@H]3C(O[Si](C)(C)C(C)(C)C)=C[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C | TBDMS | 732.5364 | Standard non polar | 3727.2449 |
RI00022485 | Nutriacholic acid | Jsmol[H][C@@]12CCC([C@@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C(=O)C[C@]2([H])C[C@H](O)CC[C@]12C | Underivatized | 390.277 | Standard non polar | 3295.884 |
RI00022486 | Nutriacholic acid | Jsmol[H][C@@]12CCC([C@@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C(=O)C[C@]2([H])C[C@H](O)CC[C@]12C | Underivatized | 390.277 | Semi standard non polar | 3485.54 |
RI00022487 | Nutriacholic acid,3TMS,isomer#1 | JsmolC[C@@H](CCC(=O)O[Si](C)(C)C)C1CC[C@H]2C3=C(O[Si](C)(C)C)C[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C | TMS | 606.3956 | Semi standard non polar | 3310.6572 |
RI00022488 | Nutriacholic acid,3TMS,isomer#2 | JsmolC[C@@H](CCC(=O)O[Si](C)(C)C)C1CC[C@H]2[C@@H]3C(O[Si](C)(C)C)=C[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C | TMS | 606.3956 | Semi standard non polar | 3226.0938 |
RI00022489 | Nutriacholic acid,3TBDMS,isomer#1 | JsmolC[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC[C@H]2C3=C(O[Si](C)(C)C(C)(C)C)C[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C | TBDMS | 732.5364 | Semi standard non polar | 3935.605 |
RI00022490 | Nutriacholic acid,3TBDMS,isomer#2 | JsmolC[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC[C@H]2[C@@H]3C(O[Si](C)(C)C(C)(C)C)=C[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C | TBDMS | 732.5364 | Semi standard non polar | 3852.5256 |
RI00022491 | Nutriacholic acid,3TMS,isomer#1 | JsmolC[C@@H](CCC(=O)O[Si](C)(C)C)C1CC[C@H]2C3=C(O[Si](C)(C)C)C[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C | TMS | 606.3956 | Standard polar | 3613.901 |
RI00022492 | Nutriacholic acid,3TMS,isomer#2 | JsmolC[C@@H](CCC(=O)O[Si](C)(C)C)C1CC[C@H]2[C@@H]3C(O[Si](C)(C)C)=C[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C | TMS | 606.3956 | Standard polar | 3621.509 |
RI00022493 | Nutriacholic acid,3TBDMS,isomer#1 | JsmolC[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC[C@H]2C3=C(O[Si](C)(C)C(C)(C)C)C[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C | TBDMS | 732.5364 | Standard polar | 3866.224 |
RI00022494 | Nutriacholic acid,3TBDMS,isomer#2 | JsmolC[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC[C@H]2[C@@H]3C(O[Si](C)(C)C(C)(C)C)=C[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C | TBDMS | 732.5364 | Standard polar | 3854.7542 |
RI00022495 | Biopterin,1TMS,isomer#1 | JsmolC[C@H](O[Si](C)(C)C)[C@H](O)C1=C[NH]C2=NC(N)=NC(=O)C2=N1 | TMS | 309.1257 | Semi standard non polar | 2396.5205 |
RI00022496 | Biopterin,1TMS,isomer#2 | JsmolC[C@H](O)[C@H](O[Si](C)(C)C)C1=C[NH]C2=NC(N)=NC(=O)C2=N1 | TMS | 309.1257 | Semi standard non polar | 2410.67 |
RI00022497 | Biopterin,1TMS,isomer#3 | JsmolC[C@H](O)[C@H](O)C1=C[NH]C2=NC(N[Si](C)(C)C)=NC(=O)C2=N1 | TMS | 309.1257 | Semi standard non polar | 2434.6794 |
RI00022498 | Biopterin,1TMS,isomer#4 | JsmolC[C@H](O)[C@H](O)C1=CN([Si](C)(C)C)C2=NC(N)=NC(=O)C2=N1 | TMS | 309.1257 | Semi standard non polar | 2439.1355 |
RI00022499 | Biopterin,2TMS,isomer#1 | JsmolC[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1=C[NH]C2=NC(N)=NC(=O)C2=N1 | TMS | 381.1652 | Semi standard non polar | 2362.3955 |
RI00022500 | Biopterin,2TMS,isomer#2 | JsmolC[C@H](O[Si](C)(C)C)[C@H](O)C1=C[NH]C2=NC(N[Si](C)(C)C)=NC(=O)C2=N1 | TMS | 381.1652 | Semi standard non polar | 2319.9592 |