RI00003651 | Acetoacetic acid | JsmolCC(=O)CC(O)=O | Underivatized | 102.0317 | Standard non polar | 859.7551 |
RI00003652 | Acetoacetic acid | JsmolCC(=O)CC(O)=O | Underivatized | 102.0317 | Semi standard non polar | 972.0062 |
RI00003653 | Acetoacetic acid,2TMS,isomer#1 | JsmolCC(=CC(=O)O[Si](C)(C)C)O[Si](C)(C)C | TMS | 246.1107 | Semi standard non polar | 1234.4971 |
RI00003654 | Acetoacetic acid,2TMS,isomer#2 | JsmolC=C(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C | TMS | 246.1107 | Semi standard non polar | 1187.69 |
RI00003655 | Acetoacetic acid,2TBDMS,isomer#1 | JsmolCC(=CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | TBDMS | 330.2046 | Semi standard non polar | 1638.3724 |
RI00003656 | Acetoacetic acid,2TBDMS,isomer#2 | JsmolC=C(CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | TBDMS | 330.2046 | Semi standard non polar | 1617.6643 |
RI00003657 | Acetoacetic acid,2TMS,isomer#1 | JsmolCC(=CC(=O)O[Si](C)(C)C)O[Si](C)(C)C | TMS | 246.1107 | Standard polar | 1227.8933 |
RI00003658 | Acetoacetic acid,2TMS,isomer#2 | JsmolC=C(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C | TMS | 246.1107 | Standard polar | 1274.9943 |
RI00003659 | Acetoacetic acid,2TBDMS,isomer#1 | JsmolCC(=CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | TBDMS | 330.2046 | Standard polar | 1558.1038 |
RI00003660 | Acetoacetic acid,2TBDMS,isomer#2 | JsmolC=C(CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | TBDMS | 330.2046 | Standard polar | 1584.7452 |
RI00003661 | Adenosine 3',5'-diphosphate,1TMS,isomer#1 | JsmolC[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C21 | TMS | 499.0689 | Semi standard non polar | 3505.912 |
RI00003662 | Adenosine 3',5'-diphosphate,1TMS,isomer#2 | JsmolC[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O | TMS | 499.0689 | Semi standard non polar | 3625.6653 |
RI00003663 | Adenosine 3',5'-diphosphate,1TMS,isomer#3 | JsmolC[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O | TMS | 499.0689 | Semi standard non polar | 3598.321 |
RI00003664 | Adenosine 3',5'-diphosphate,1TMS,isomer#4 | JsmolC[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O | TMS | 499.0689 | Semi standard non polar | 3578.9763 |
RI00003665 | Adenosine 3',5'-diphosphate,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C21 | TBDMS | 541.1159 | Semi standard non polar | 3763.691 |
RI00003666 | Adenosine 3',5'-diphosphate,1TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O | TBDMS | 541.1159 | Semi standard non polar | 3841.0894 |
RI00003667 | Adenosine 3',5'-diphosphate,1TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O | TBDMS | 541.1159 | Semi standard non polar | 3826.5637 |
RI00003668 | Adenosine 3',5'-diphosphate,1TBDMS,isomer#4 | JsmolCC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O | TBDMS | 541.1159 | Semi standard non polar | 3776.972 |
RI00003669 | Adenosine 3',5'-diphosphate | JsmolNC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1 | Underivatized | 427.0294 | Standard polar | 4212.0815 |
RI00003670 | Adenosine 3',5'-diphosphate,2TMS,isomer#1 | JsmolC[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[C@H]1N1C=NC2=C(N)N=CN=C21 | TMS | 571.1085 | Standard non polar | 3406.0542 |
RI00003671 | Adenosine 3',5'-diphosphate,2TMS,isomer#2 | JsmolC[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21 | TMS | 571.1085 | Standard non polar | 3403.257 |
RI00003672 | Adenosine 3',5'-diphosphate,2TMS,isomer#3 | JsmolC[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O[Si](C)(C)C | TMS | 571.1085 | Standard non polar | 3449.5305 |
RI00003673 | Adenosine 3',5'-diphosphate,2TMS,isomer#4 | JsmolC[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O)O[Si](C)(C)C | TMS | 571.1085 | Standard non polar | 3455.7107 |
RI00003674 | Adenosine 3',5'-diphosphate,2TMS,isomer#5 | JsmolC[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O[Si](C)(C)C | TMS | 571.1085 | Standard non polar | 3441.3794 |
RI00003675 | Adenosine 3',5'-diphosphate,2TMS,isomer#6 | JsmolC[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](OP(=O)(O)O)[C@H]1O | TMS | 571.1085 | Standard non polar | 3504.8176 |