RI00003126 | Bilirubin,4TMS,isomer#3 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O | TMS | 872.4216 | Standard polar | 6416.5845 |
RI00003127 | Bilirubin,4TMS,isomer#4 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)NC1=O | TMS | 872.4216 | Standard polar | 6407.803 |
RI00003128 | Bilirubin,4TMS,isomer#5 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O | TMS | 872.4216 | Standard polar | 6413.673 |
RI00003129 | Bilirubin,4TMS,isomer#6 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)[NH]2)N([Si](C)(C)C)C1=O | TMS | 872.4216 | Standard polar | 5986.474 |
RI00003130 | Bilirubin,4TMS,isomer#7 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O | TMS | 872.4216 | Standard polar | 6457.069 |
RI00003131 | Bilirubin,4TMS,isomer#8 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O | TMS | 872.4216 | Standard polar | 6460.536 |
RI00003132 | Bilirubin,4TMS,isomer#9 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O | TMS | 872.4216 | Standard polar | 6048.2866 |
RI00003133 | Bilirubin,4TMS,isomer#10 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O | TMS | 872.4216 | Standard polar | 6041.7397 |
RI00003134 | Bilirubin,4TMS,isomer#11 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)N2[Si](C)(C)C)NC1=O | TMS | 872.4216 | Standard polar | 6457.031 |
RI00003135 | Bilirubin,4TMS,isomer#12 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O | TMS | 872.4216 | Standard polar | 6460.4844 |
RI00003136 | Bilirubin,4TMS,isomer#13 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O | TMS | 872.4216 | Standard polar | 6042.072 |
RI00003137 | Bilirubin,4TMS,isomer#14 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)[NH]2)N([Si](C)(C)C)C1=O | TMS | 872.4216 | Standard polar | 6047.961 |
RI00003138 | Bilirubin,4TMS,isomer#15 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)N3[Si](C)(C)C)N2[Si](C)(C)C)N([Si](C)(C)C)C1=O | TMS | 872.4216 | Standard polar | 6122.506 |
RI00003139 | Cellobiose,1TMS,isomer#1 | JsmolC[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O | TMS | 414.1557 | Semi standard non polar | 2784.2075 |
RI00003140 | Cellobiose,1TMS,isomer#2 | JsmolC[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)O[C@H](CO)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | TMS | 414.1557 | Semi standard non polar | 2790.8096 |
RI00003141 | Cellobiose,1TMS,isomer#3 | JsmolC[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O | TMS | 414.1557 | Semi standard non polar | 2785.3223 |
RI00003142 | Cellobiose,1TMS,isomer#4 | JsmolC[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | TMS | 414.1557 | Semi standard non polar | 2809.5593 |
RI00003143 | Cellobiose,1TMS,isomer#5 | JsmolC[Si](C)(C)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | TMS | 414.1557 | Semi standard non polar | 2802.5532 |
RI00003144 | Cellobiose,1TMS,isomer#6 | JsmolC[Si](C)(C)O[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O | TMS | 414.1557 | Semi standard non polar | 2787.0562 |
RI00003145 | Cellobiose,1TMS,isomer#7 | JsmolC[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@H]1O | TMS | 414.1557 | Semi standard non polar | 2784.262 |
RI00003146 | Cellobiose,1TMS,isomer#8 | JsmolC[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | TMS | 414.1557 | Semi standard non polar | 2776.5344 |
RI00003147 | Cellobiose,2TMS,isomer#1 | JsmolC[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O | TMS | 486.1953 | Semi standard non polar | 2814.617 |
RI00003148 | Cellobiose,2TMS,isomer#2 | JsmolC[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O | TMS | 486.1953 | Semi standard non polar | 2804.9707 |
RI00003149 | Cellobiose,2TMS,isomer#3 | JsmolC[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O | TMS | 486.1953 | Semi standard non polar | 2775.6167 |
RI00003150 | Cellobiose,2TMS,isomer#4 | JsmolC[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O | TMS | 486.1953 | Semi standard non polar | 2776.836 |