RI00004151 | cis-Aconitic acid,1TMS,isomer#3 | JsmolC[Si](C)(C)OC(=O)/C(=C\C(=O)O)CC(=O)O | TMS | 246.056 | Semi standard non polar | 1670.31 |
RI00004152 | cis-Aconitic acid,2TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)/C=C(/CC(=O)O[Si](C)(C)C)C(=O)O | TMS | 318.0955 | Semi standard non polar | 1780.2594 |
RI00004153 | cis-Aconitic acid,2TMS,isomer#2 | JsmolC[Si](C)(C)OC(=O)C/C(=C/C(=O)O)C(=O)O[Si](C)(C)C | TMS | 318.0955 | Semi standard non polar | 1742.9175 |
RI00004154 | cis-Aconitic acid,2TMS,isomer#3 | JsmolC[Si](C)(C)OC(=O)/C=C(/CC(=O)O)C(=O)O[Si](C)(C)C | TMS | 318.0955 | Semi standard non polar | 1722.4629 |
RI00004155 | cis-Aconitic acid,3TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)/C=C(/CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C | TMS | 390.135 | Semi standard non polar | 1745.7627 |
RI00004156 | cis-Aconitic acid,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)C/C(=C/C(=O)O)C(=O)O | TBDMS | 288.1029 | Semi standard non polar | 1965.6765 |
RI00004157 | cis-Aconitic acid,1TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC(=O)/C=C(/CC(=O)O)C(=O)O | TBDMS | 288.1029 | Semi standard non polar | 1950.6821 |
RI00004158 | cis-Aconitic acid,1TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)OC(=O)/C(=C\C(=O)O)CC(=O)O | TBDMS | 288.1029 | Semi standard non polar | 1943.5549 |
RI00004159 | cis-Aconitic acid,2TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)/C=C(/CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O | TBDMS | 402.1894 | Semi standard non polar | 2263.6362 |
RI00004160 | cis-Aconitic acid,2TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC(=O)C/C(=C/C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C | TBDMS | 402.1894 | Semi standard non polar | 2205.9253 |
RI00004161 | cis-Aconitic acid,2TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)OC(=O)/C=C(/CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C | TBDMS | 402.1894 | Semi standard non polar | 2172.56 |
RI00004162 | cis-Aconitic acid,3TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)/C=C(/CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | TBDMS | 516.2759 | Semi standard non polar | 2399.272 |
RI00004163 | cis-Aconitic acid | JsmolOC(=O)C\C(=C\C(O)=O)C(O)=O | Underivatized | 174.0164 | Standard polar | 2781.764 |
RI00004164 | cis-Aconitic acid | JsmolOC(=O)C\C(=C\C(O)=O)C(O)=O | Underivatized | 174.0164 | Standard non polar | 1400.2383 |
RI00004165 | cis-Aconitic acid | JsmolOC(=O)C\C(=C\C(O)=O)C(O)=O | Underivatized | 174.0164 | Semi standard non polar | 1741.324 |
RI00004166 | Dopamine,1TMS,isomer#1 | JsmolC[Si](C)(C)OC1=CC(CCN)=CC=C1O | TMS | 225.1185 | Semi standard non polar | 1642.8684 |
RI00004167 | Dopamine,1TMS,isomer#2 | JsmolC[Si](C)(C)OC1=CC=C(CCN)C=C1O | TMS | 225.1185 | Semi standard non polar | 1644.1041 |
RI00004168 | Dopamine,1TMS,isomer#3 | JsmolC[Si](C)(C)NCCC1=CC=C(O)C(O)=C1 | TMS | 225.1185 | Semi standard non polar | 1877.0657 |
RI00004169 | Dopamine,2TMS,isomer#1 | JsmolC[Si](C)(C)OC1=CC=C(CCN)C=C1O[Si](C)(C)C | TMS | 297.158 | Semi standard non polar | 1682.1921 |
RI00004170 | Dopamine,2TMS,isomer#2 | JsmolC[Si](C)(C)NCCC1=CC=C(O)C(O[Si](C)(C)C)=C1 | TMS | 297.158 | Semi standard non polar | 1773.8319 |
RI00004171 | Dopamine,2TMS,isomer#3 | JsmolC[Si](C)(C)NCCC1=CC=C(O[Si](C)(C)C)C(O)=C1 | TMS | 297.158 | Semi standard non polar | 1786.3239 |
RI00004172 | Dopamine,2TMS,isomer#4 | JsmolC[Si](C)(C)N(CCC1=CC=C(O)C(O)=C1)[Si](C)(C)C | TMS | 297.158 | Semi standard non polar | 2027.227 |
RI00004173 | Dopamine,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC1=CC(CCN)=CC=C1O | TBDMS | 267.1655 | Semi standard non polar | 1902.0154 |
RI00004174 | Dopamine,1TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC1=CC=C(CCN)C=C1O | TBDMS | 267.1655 | Semi standard non polar | 1912.1477 |
RI00004175 | Dopamine,1TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)NCCC1=CC=C(O)C(O)=C1 | TBDMS | 267.1655 | Semi standard non polar | 2096.084 |