RI00060501 | Iminoaspartic acid | JsmolOC(=O)CC(=N)C(O)=O | Underivatized | 131.0219 | Standard polar | 1990.0303 |
RI00060502 | Iminoaspartic acid,3TMS,isomer#1 | JsmolC[Si](C)(C)N=C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C | TMS | 347.1404 | Standard non polar | 1500.2124 |
RI00060503 | Iminoaspartic acid,3TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)N=C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | TBDMS | 473.2813 | Standard non polar | 2094.9702 |
RI00060504 | Iminoaspartic acid | JsmolOC(=O)CC(=N)C(O)=O | Underivatized | 131.0219 | Standard non polar | 1259.212 |
RI00060505 | Iminoaspartic acid | JsmolOC(=O)CC(=N)C(O)=O | Underivatized | 131.0219 | Semi standard non polar | 1458.489 |
RI00060506 | Iminoaspartic acid,3TMS,isomer#1 | JsmolC[Si](C)(C)N=C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C | TMS | 347.1404 | Semi standard non polar | 1561.8955 |
RI00060507 | Iminoaspartic acid,3TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)N=C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | TBDMS | 473.2813 | Semi standard non polar | 2132.793 |
RI00060508 | Iminoaspartic acid,3TMS,isomer#1 | JsmolC[Si](C)(C)N=C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C | TMS | 347.1404 | Standard polar | 1713.974 |
RI00060509 | Iminoaspartic acid,3TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)N=C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | TBDMS | 473.2813 | Standard polar | 2108.44 |
RI00060510 | Nicotinic acid mononucleotide,1TMS,isomer#1 | JsmolC[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H]([N+]2=CC=CC(C(=O)O)=C2)[C@@H]1O | TMS | 408.0874 | Semi standard non polar | 2792.091 |
RI00060511 | Nicotinic acid mononucleotide,1TMS,isomer#2 | JsmolC[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1[N+]1=CC=CC(C(=O)O)=C1 | TMS | 408.0874 | Semi standard non polar | 2823.409 |
RI00060512 | Nicotinic acid mononucleotide,1TMS,isomer#3 | JsmolC[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)=C1 | TMS | 408.0874 | Semi standard non polar | 2764.6055 |
RI00060513 | Nicotinic acid mononucleotide,1TMS,isomer#4 | JsmolC[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H]([N+]2=CC=CC(C(=O)O)=C2)[C@H](O)[C@@H]1O | TMS | 408.0874 | Semi standard non polar | 2943.5176 |
RI00060514 | Nicotinic acid mononucleotide,2TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)=C1 | TMS | 480.1269 | Semi standard non polar | 2664.2173 |
RI00060515 | Nicotinic acid mononucleotide,2TMS,isomer#2 | JsmolC[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H]([N+]2=CC=CC(C(=O)O)=C2)[C@@H]1O[Si](C)(C)C | TMS | 480.1269 | Semi standard non polar | 2710.9573 |
RI00060516 | Nicotinic acid mononucleotide,2TMS,isomer#3 | JsmolC[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H]([N+]2=CC=CC(C(=O)O)=C2)[C@@H]1O | TMS | 480.1269 | Semi standard non polar | 2825.2256 |
RI00060517 | Nicotinic acid mononucleotide,2TMS,isomer#4 | JsmolC[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)=C1 | TMS | 480.1269 | Semi standard non polar | 2687.5806 |
RI00060518 | Nicotinic acid mononucleotide,2TMS,isomer#5 | JsmolC[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H]1[N+]1=CC=CC(C(=O)O)=C1 | TMS | 480.1269 | Semi standard non polar | 2858.2114 |
RI00060519 | Nicotinic acid mononucleotide,2TMS,isomer#6 | JsmolC[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)=C1 | TMS | 480.1269 | Semi standard non polar | 2797.4136 |
RI00060520 | Nicotinic acid mononucleotide,2TMS,isomer#7 | JsmolC[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H]([N+]2=CC=CC(C(=O)O)=C2)[C@H](O)[C@@H]1O)O[Si](C)(C)C | TMS | 480.1269 | Semi standard non polar | 2914.889 |
RI00060521 | Nicotinic acid mononucleotide,3TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C1 | TMS | 552.1665 | Semi standard non polar | 2636.587 |
RI00060522 | Nicotinic acid mononucleotide,3TMS,isomer#2 | JsmolC[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)=C1 | TMS | 552.1665 | Semi standard non polar | 2761.3213 |
RI00060523 | Nicotinic acid mononucleotide,3TMS,isomer#3 | JsmolC[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H]([N+]2=CC=CC(C(=O)O)=C2)[C@@H]1O[Si](C)(C)C | TMS | 552.1665 | Semi standard non polar | 2780.61 |
RI00060524 | Nicotinic acid mononucleotide,3TMS,isomer#4 | JsmolC[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H]([N+]2=CC=CC(C(=O)O)=C2)[C@@H]1O | TMS | 552.1665 | Semi standard non polar | 2857.014 |
RI00060525 | Nicotinic acid mononucleotide,3TMS,isomer#5 | JsmolC[Si](C)(C)OC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)=C1 | TMS | 552.1665 | Semi standard non polar | 2783.8262 |