RI00069926 | 4-Fumarylacetoacetic acid,1TBDMS,isomer#4 | JsmolCC(C)(C)[Si](C)(C)OC(=CC(=O)O)CC(=O)/C=C/C(=O)O | TBDMS | 314.1186 | Standard polar | 3132.7876 |
RI00069927 | 4-Fumarylacetoacetic acid,1TBDMS,isomer#5 | JsmolCC(C)(C)[Si](C)(C)OC(=CC(=O)CC(=O)O)/C=C/C(=O)O | TBDMS | 314.1186 | Standard polar | 2997.3645 |
RI00069928 | 4-Fumarylacetoacetic acid,2TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)/C=C/C(=O)CC(=O)CC(=O)O[Si](C)(C)C(C)(C)C | TBDMS | 428.205 | Standard polar | 2442.922 |
RI00069929 | 4-Fumarylacetoacetic acid,2TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC(=O)CC(=CC(=O)/C=C/C(=O)O)O[Si](C)(C)C(C)(C)C | TBDMS | 428.205 | Standard polar | 2656.8015 |
RI00069930 | 4-Fumarylacetoacetic acid,2TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)OC(=O)C=C(CC(=O)/C=C/C(=O)O)O[Si](C)(C)C(C)(C)C | TBDMS | 428.205 | Standard polar | 2623.047 |
RI00069931 | 4-Fumarylacetoacetic acid,2TBDMS,isomer#4 | JsmolCC(C)(C)[Si](C)(C)OC(=O)CC(=O)C=C(/C=C/C(=O)O)O[Si](C)(C)C(C)(C)C | TBDMS | 428.205 | Standard polar | 2627.5725 |
RI00069932 | 4-Fumarylacetoacetic acid,2TBDMS,isomer#5 | JsmolCC(C)(C)[Si](C)(C)OC(=O)/C=C/C(=CC(=O)CC(=O)O)O[Si](C)(C)C(C)(C)C | TBDMS | 428.205 | Standard polar | 2591.8867 |
RI00069933 | 4-Fumarylacetoacetic acid,2TBDMS,isomer#6 | JsmolCC(C)(C)[Si](C)(C)OC(=O)/C=C/C(=O)CC(=CC(=O)O)O[Si](C)(C)C(C)(C)C | TBDMS | 428.205 | Standard polar | 2595.7239 |
RI00069934 | 4-Fumarylacetoacetic acid,2TBDMS,isomer#7 | JsmolCC(C)(C)[Si](C)(C)OC(=O)/C=C/C(=O)C=C(CC(=O)O)O[Si](C)(C)C(C)(C)C | TBDMS | 428.205 | Standard polar | 2615.086 |
RI00069935 | 4-Fumarylacetoacetic acid,2TBDMS,isomer#8 | JsmolCC(C)(C)[Si](C)(C)OC(=CC(=O)O)C=C(/C=C/C(=O)O)O[Si](C)(C)C(C)(C)C | TBDMS | 428.205 | Standard polar | 2777.4143 |
RI00069936 | 4-Fumarylacetoacetic acid,3TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)/C=C/C(=CC(=O)CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | TBDMS | 542.2915 | Standard polar | 2491.7656 |
RI00069937 | 4-Fumarylacetoacetic acid,3TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC(=O)C=C(CC(=O)/C=C/C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | TBDMS | 542.2915 | Standard polar | 2418.922 |
RI00069938 | 4-Fumarylacetoacetic acid,3TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)OC(=O)/C=C/C(=O)C=C(CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | TBDMS | 542.2915 | Standard polar | 2506.236 |
RI00069939 | 4-Fumarylacetoacetic acid,3TBDMS,isomer#4 | JsmolCC(C)(C)[Si](C)(C)OC(=O)C=C(C=C(/C=C/C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | TBDMS | 542.2915 | Standard polar | 2613.66 |
RI00069940 | 4-Fumarylacetoacetic acid,3TBDMS,isomer#5 | JsmolCC(C)(C)[Si](C)(C)OC(=O)/C=C/C(=CC(=CC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | TBDMS | 542.2915 | Standard polar | 2623.3044 |
RI00069941 | 4-Fumarylacetoacetic acid,4TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)C=C(C=C(/C=C/C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | TBDMS | 656.378 | Standard polar | 2498.2827 |
RI00069942 | Methylmalonyl-CoA | JsmolC[C@@H](C(O)=O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N | Underivatized | 867.1313 | Standard polar | 5894.814 |
RI00069943 | Methylmalonyl-CoA | JsmolC[C@@H](C(O)=O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N | Underivatized | 867.1313 | Standard non polar | 4570.0234 |
RI00069944 | Methylmalonyl-CoA | JsmolC[C@@H](C(O)=O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N | Underivatized | 867.1313 | Semi standard non polar | 6617.3794 |
RI00069945 | Glyceric acid 1,3-biphosphate,1TMS,isomer#1 | JsmolC[Si](C)(C)O[C@H](COP(=O)(O)O)C(=O)OP(=O)(O)O | TMS | 337.9988 | Semi standard non polar | 2068.7825 |
RI00069946 | Glyceric acid 1,3-biphosphate,1TMS,isomer#2 | JsmolC[Si](C)(C)OP(=O)(O)OC[C@@H](O)C(=O)OP(=O)(O)O | TMS | 337.9988 | Semi standard non polar | 2124.2546 |
RI00069947 | Glyceric acid 1,3-biphosphate,1TMS,isomer#3 | JsmolC[Si](C)(C)OP(=O)(O)OC(=O)[C@H](O)COP(=O)(O)O | TMS | 337.9988 | Semi standard non polar | 2096.1265 |
RI00069948 | Glyceric acid 1,3-biphosphate,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O)O)C(=O)OP(=O)(O)O | TBDMS | 380.0457 | Semi standard non polar | 2313.5396 |
RI00069949 | Glyceric acid 1,3-biphosphate,1TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@@H](O)C(=O)OP(=O)(O)O | TBDMS | 380.0457 | Semi standard non polar | 2357.5195 |
RI00069950 | Glyceric acid 1,3-biphosphate,1TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)OP(=O)(O)OC(=O)[C@H](O)COP(=O)(O)O | TBDMS | 380.0457 | Semi standard non polar | 2342.8708 |