RI01722726 | Dihydroxyphenylacetic acid sulfate,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC1=CC=C(CC(=O)OS(=O)(=O)O)C(O)=C1 | TBDMS | 362.0856 | Standard non polar | 2504.7217 |
RI01722725 | Dihydroxyphenylacetic acid sulfate,3TMS,isomer#1 | JsmolC[Si](C)(C)OC1=CC=C(CC(=O)OS(=O)(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1 | TMS | 464.1177 | Standard non polar | 2449.4326 |
RI01722724 | Dihydroxyphenylacetic acid sulfate,2TMS,isomer#3 | JsmolC[Si](C)(C)OC1=CC(O)=CC=C1CC(=O)OS(=O)(=O)O[Si](C)(C)C | TMS | 392.0781 | Standard non polar | 2334.7686 |
RI01722723 | Dihydroxyphenylacetic acid sulfate,2TMS,isomer#2 | JsmolC[Si](C)(C)OC1=CC=C(CC(=O)OS(=O)(=O)O[Si](C)(C)C)C(O)=C1 | TMS | 392.0781 | Standard non polar | 2337.3987 |
RI01722722 | Dihydroxyphenylacetic acid sulfate,2TMS,isomer#1 | JsmolC[Si](C)(C)OC1=CC=C(CC(=O)OS(=O)(=O)O)C(O[Si](C)(C)C)=C1 | TMS | 392.0781 | Standard non polar | 2359.9988 |
RI01722721 | Dihydroxyphenylacetic acid sulfate,1TMS,isomer#3 | JsmolC[Si](C)(C)OS(=O)(=O)OC(=O)CC1=CC=C(O)C=C1O | TMS | 320.0386 | Standard non polar | 2211.7327 |
RI01722720 | Dihydroxyphenylacetic acid sulfate,1TMS,isomer#2 | JsmolC[Si](C)(C)OC1=CC(O)=CC=C1CC(=O)OS(=O)(=O)O | TMS | 320.0386 | Standard non polar | 2221.9414 |
RI01722719 | Dihydroxyphenylacetic acid sulfate,1TMS,isomer#1 | JsmolC[Si](C)(C)OC1=CC=C(CC(=O)OS(=O)(=O)O)C(O)=C1 | TMS | 320.0386 | Standard non polar | 2220.1938 |
RI01722718 | Caffeic acid sulfate,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)/C=C/C1=CC=C([O-])C(OS(=O)(=O)[O-])=C1 | TBDMS | 372.071 | Standard polar | 3159.5889 |
RI01722717 | Caffeic acid sulfate,1TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)/C=C/C1=CC=C([O-])C(OS(=O)(=O)[O-])=C1 | TMS | 330.024 | Standard polar | 3132.197 |
RI01722716 | Caffeic acid sulfate,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)/C=C/C1=CC=C([O-])C(OS(=O)(=O)[O-])=C1 | TBDMS | 372.071 | Semi standard non polar | 2505.3357 |
RI01722715 | Caffeic acid sulfate,1TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)/C=C/C1=CC=C([O-])C(OS(=O)(=O)[O-])=C1 | TMS | 330.024 | Semi standard non polar | 2242.4932 |
RI01722714 | Caffeic acid sulfate,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)/C=C/C1=CC=C([O-])C(OS(=O)(=O)[O-])=C1 | TBDMS | 372.071 | Standard non polar | 2528.8135 |
RI01722713 | Caffeic acid sulfate,1TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)/C=C/C1=CC=C([O-])C(OS(=O)(=O)[O-])=C1 | TMS | 330.024 | Standard non polar | 2271.267 |
RI01722712 | Flortaucipir F18,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)N1C2=CC=NC=C2C2=CC=C(C3=CC=C([18F])N=C3)C=C21 | TBDMS | 376.1749 | Standard polar | 3229.552 |
RI01722711 | Flortaucipir F18,1TMS,isomer#1 | JsmolC[Si](C)(C)N1C2=CC=NC=C2C2=CC=C(C3=CC=C([18F])N=C3)C=C21 | TMS | 334.1279 | Standard polar | 3156.3367 |
RI01722710 | Flortaucipir F18,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)N1C2=CC=NC=C2C2=CC=C(C3=CC=C([18F])N=C3)C=C21 | TBDMS | 376.1749 | Semi standard non polar | 3093.884 |
RI01722709 | Flortaucipir F18,1TMS,isomer#1 | JsmolC[Si](C)(C)N1C2=CC=NC=C2C2=CC=C(C3=CC=C([18F])N=C3)C=C21 | TMS | 334.1279 | Semi standard non polar | 2915.9377 |
RI01722708 | Flortaucipir F18,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)N1C2=CC=NC=C2C2=CC=C(C3=CC=C([18F])N=C3)C=C21 | TBDMS | 376.1749 | Standard non polar | 2941.935 |
RI01722707 | Flortaucipir F18,1TMS,isomer#1 | JsmolC[Si](C)(C)N1C2=CC=NC=C2C2=CC=C(C3=CC=C([18F])N=C3)C=C21 | TMS | 334.1279 | Standard non polar | 2716.63 |
RI01722706 | Trilaciclib,2TBDMS,isomer#1 | JsmolCN1CCN(C2=CC=C(N(C3=NC=C4C=C5C(=O)N([Si](C)(C)C(C)(C)C)CC6(CCCCC6)N5C4=N3)[Si](C)(C)C(C)(C)C)N=C2)CC1 | TBDMS | 674.4272 | Standard polar | 5362.6816 |
RI01722705 | Trilaciclib,1TBDMS,isomer#2 | JsmolCN1CCN(C2=CC=C(NC3=NC=C4C=C5C(=O)N([Si](C)(C)C(C)(C)C)CC6(CCCCC6)N5C4=N3)N=C2)CC1 | TBDMS | 560.3407 | Standard polar | 5719.2603 |
RI01722704 | Trilaciclib,1TBDMS,isomer#1 | JsmolCN1CCN(C2=CC=C(N(C3=NC=C4C=C5C(=O)NCC6(CCCCC6)N5C4=N3)[Si](C)(C)C(C)(C)C)N=C2)CC1 | TBDMS | 560.3407 | Standard polar | 5714.1562 |
RI01722703 | Trilaciclib,2TMS,isomer#1 | JsmolCN1CCN(C2=CC=C(N(C3=NC=C4C=C5C(=O)N([Si](C)(C)C)CC6(CCCCC6)N5C4=N3)[Si](C)(C)C)N=C2)CC1 | TMS | 590.3333 | Standard polar | 5240.3306 |
RI01722702 | Trilaciclib,1TMS,isomer#2 | JsmolCN1CCN(C2=CC=C(NC3=NC=C4C=C5C(=O)N([Si](C)(C)C)CC6(CCCCC6)N5C4=N3)N=C2)CC1 | TMS | 518.2938 | Standard polar | 5571.2334 |