RI00002176 | Adenosine,4TMS,isomer#1 | JsmolC[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C | TMS | 555.2549 | Standard polar | 3681.5146 |
RI00002177 | Adenosine,4TMS,isomer#2 | JsmolC[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O | TMS | 555.2549 | Standard polar | 3406.111 |
RI00002178 | Adenosine,4TMS,isomer#3 | JsmolC[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C | TMS | 555.2549 | Standard polar | 3366.6262 |
RI00002179 | Adenosine,4TMS,isomer#4 | JsmolC[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C | TMS | 555.2549 | Standard polar | 3336.4807 |
RI00002180 | Adenosine,5TMS,isomer#1 | JsmolC[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C | TMS | 627.2944 | Standard polar | 3158.7092 |
RI00002181 | Adenosine,4TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C | TBDMS | 723.4427 | Standard polar | 3871.2 |
RI00002182 | Adenosine,4TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O | TBDMS | 723.4427 | Standard polar | 3644.5098 |
RI00002183 | Adenosine,4TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C | TBDMS | 723.4427 | Standard polar | 3618.1921 |
RI00002184 | Adenosine,4TBDMS,isomer#4 | JsmolCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C | TBDMS | 723.4427 | Standard polar | 3594.7695 |
RI00002185 | Adenosine,5TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C | TBDMS | 837.5291 | Standard polar | 3538.6106 |
RI00002186 | Ammonia | JsmolN | Underivatized | 17.0265 | Standard polar | 718.6019 |
RI00002187 | Ammonia | JsmolN | Underivatized | 17.0265 | Standard non polar | 229.9455 |
RI00002188 | Ammonia | JsmolN | Underivatized | 17.0265 | Semi standard non polar | 94.1481 |
RI00002189 | Argininosuccinic acid,1TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@H](N)C(=O)O)C(=O)O | TMS | 362.1622 | Semi standard non polar | 2863.5735 |
RI00002190 | Argininosuccinic acid,1TMS,isomer#2 | JsmolC[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=N)NCCC[C@H](N)C(=O)O | TMS | 362.1622 | Semi standard non polar | 2843.4749 |
RI00002191 | Argininosuccinic acid,1TMS,isomer#3 | JsmolC[Si](C)(C)OC(=O)[C@@H](N)CCCNC(=N)N[C@@H](CC(=O)O)C(=O)O | TMS | 362.1622 | Semi standard non polar | 2801.7725 |
RI00002192 | Argininosuccinic acid,1TMS,isomer#4 | JsmolC[Si](C)(C)N[C@@H](CCCNC(=N)N[C@@H](CC(=O)O)C(=O)O)C(=O)O | TMS | 362.1622 | Semi standard non polar | 2921.6204 |
RI00002193 | Argininosuccinic acid,1TMS,isomer#5 | JsmolC[Si](C)(C)N(CCC[C@H](N)C(=O)O)C(=N)N[C@@H](CC(=O)O)C(=O)O | TMS | 362.1622 | Semi standard non polar | 2898.6982 |
RI00002194 | Argininosuccinic acid,1TMS,isomer#6 | JsmolC[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O)N[C@@H](CC(=O)O)C(=O)O | TMS | 362.1622 | Semi standard non polar | 2829.5513 |
RI00002195 | Argininosuccinic acid,1TMS,isomer#7 | JsmolC[Si](C)(C)N(C(=N)NCCC[C@H](N)C(=O)O)[C@@H](CC(=O)O)C(=O)O | TMS | 362.1622 | Semi standard non polar | 2878.1575 |
RI00002196 | Argininosuccinic acid,2TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O | TMS | 434.2017 | Semi standard non polar | 2811.572 |
RI00002197 | Argininosuccinic acid,2TMS,isomer#2 | JsmolC[Si](C)(C)OC(=O)C[C@H](NC(=N)NCCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C | TMS | 434.2017 | Semi standard non polar | 2823.0703 |
RI00002198 | Argininosuccinic acid,2TMS,isomer#3 | JsmolC[Si](C)(C)N[C@@H](CCCNC(=N)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)C(=O)O | TMS | 434.2017 | Semi standard non polar | 2911.0781 |
RI00002199 | Argininosuccinic acid,2TMS,isomer#4 | JsmolC[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=N)NCCC[C@H](N)C(=O)O)[Si](C)(C)C | TMS | 434.2017 | Semi standard non polar | 2835.2083 |
RI00002200 | Argininosuccinic acid,2TMS,isomer#5 | JsmolC[Si](C)(C)N=C(NCCC[C@H](N)C(=O)O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O | TMS | 434.2017 | Semi standard non polar | 2776.7368 |