RI00063776 | S-Adenosylmethionine,6TMS,isomer#1 | JsmolC[S+](CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C | TMS | 831.3817 | Standard polar | 4325.106 |
RI00063777 | S-Adenosylmethionine,6TMS,isomer#2 | JsmolC[S+](CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[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 | 831.3817 | Standard polar | 3939.8264 |
RI00063778 | S-Adenosylmethionine,6TMS,isomer#3 | JsmolC[S+](CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[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 | 831.3817 | Standard polar | 4053.5488 |
RI00063779 | S-Adenosylmethionine,6TMS,isomer#4 | JsmolC[S+](CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[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 | 831.3817 | Standard polar | 4021.9695 |
RI00063780 | S-Adenosylmethionine,6TMS,isomer#5 | JsmolC[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[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 | 831.3817 | Standard polar | 4067.1438 |
RI00063781 | S-Adenosylmethionine,4TBDMS,isomer#1 | JsmolC[S+](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C | TBDMS | 855.4904 | Standard polar | 4983.603 |
RI00063782 | S-Adenosylmethionine,4TBDMS,isomer#2 | JsmolC[S+](CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[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 | 855.4904 | Standard polar | 5035.699 |
RI00063783 | S-Adenosylmethionine,4TBDMS,isomer#3 | JsmolC[S+](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O | TBDMS | 855.4904 | Standard polar | 4817.224 |
RI00063784 | S-Adenosylmethionine,4TBDMS,isomer#4 | JsmolC[S+](CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O | TBDMS | 855.4904 | Standard polar | 5031.5444 |
RI00063785 | S-Adenosylmethionine,4TBDMS,isomer#5 | JsmolC[S+](CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C[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 | 855.4904 | Standard polar | 4829.086 |
RI00063786 | S-Adenosylmethionine,4TBDMS,isomer#6 | JsmolC[S+](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C | TBDMS | 855.4904 | Standard polar | 4797.684 |
RI00063787 | S-Adenosylmethionine,4TBDMS,isomer#7 | JsmolC[S+](CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C | TBDMS | 855.4904 | Standard polar | 5015.9146 |
RI00063788 | S-Adenosylmethionine,4TBDMS,isomer#8 | JsmolC[S+](CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C[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 | 855.4904 | Standard polar | 4811.4595 |
RI00063789 | S-Adenosylmethionine,4TBDMS,isomer#9 | JsmolC[S+](CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O | TBDMS | 855.4904 | Standard polar | 4890.3984 |
RI00063790 | S-Adenosylmethionine,4TBDMS,isomer#10 | JsmolC[S+](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C[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 | TBDMS | 855.4904 | Standard polar | 4613.751 |
RI00063791 | S-Adenosylmethionine,4TBDMS,isomer#11 | JsmolC[S+](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[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 | 855.4904 | Standard polar | 4850.2183 |
RI00063792 | S-Adenosylmethionine,4TBDMS,isomer#12 | JsmolC[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C | TBDMS | 855.4904 | Standard polar | 5034.737 |
RI00063793 | S-Adenosylmethionine,4TBDMS,isomer#13 | JsmolC[S+](CC[C@H](N)C(=O)O)C[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 | 855.4904 | Standard polar | 4918.435 |
RI00063794 | S-Adenosylmethionine,4TBDMS,isomer#14 | JsmolC[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O | TBDMS | 855.4904 | Standard polar | 4889.5337 |
RI00063795 | S-Adenosylmethionine,4TBDMS,isomer#15 | JsmolC[S+](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C[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 | 855.4904 | Standard polar | 4641.9175 |
RI00063796 | S-Adenosylmethionine,4TBDMS,isomer#16 | JsmolC[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C | TBDMS | 855.4904 | Standard polar | 4870.954 |
RI00063797 | S-Adenosylmethionine,4TBDMS,isomer#17 | JsmolC[S+](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C[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 | 855.4904 | Standard polar | 4619.6475 |
RI00063798 | S-Adenosylmethionine,4TBDMS,isomer#18 | JsmolC[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[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 | TBDMS | 855.4904 | Standard polar | 4703.91 |
RI00063799 | N1-Acetylspermine | JsmolCC(=O)NCCCNCCCCNCCCN | Underivatized | 244.2263 | Standard polar | 3102.5078 |
RI00063800 | N1-Acetylspermine | JsmolCC(=O)NCCCNCCCCNCCCN | Underivatized | 244.2263 | Standard non polar | 2481.9028 |