RI00017501 | Methylacetoacetic acid | JsmolCOC(=O)CC(C)=O | Underivatized | 116.0473 | Standard non polar | 818.6536 |
RI00017502 | Methylacetoacetic acid,1TMS,isomer#1 | JsmolCOC(=O)C=C(C)O[Si](C)(C)C | TMS | 188.0869 | Standard non polar | 1078.098 |
RI00017503 | Methylacetoacetic acid,1TMS,isomer#2 | JsmolC=C(CC(=O)OC)O[Si](C)(C)C | TMS | 188.0869 | Standard non polar | 1073.737 |
RI00017504 | Methylacetoacetic acid,1TBDMS,isomer#1 | JsmolCOC(=O)C=C(C)O[Si](C)(C)C(C)(C)C | TBDMS | 230.1338 | Standard non polar | 1266.6942 |
RI00017505 | Methylacetoacetic acid,1TBDMS,isomer#2 | JsmolC=C(CC(=O)OC)O[Si](C)(C)C(C)(C)C | TBDMS | 230.1338 | Standard non polar | 1269.0593 |
RI00017506 | Methylacetoacetic acid | JsmolCOC(=O)CC(C)=O | Underivatized | 116.0473 | Semi standard non polar | 903.7617 |
RI00017507 | Methylacetoacetic acid,1TMS,isomer#1 | JsmolCOC(=O)C=C(C)O[Si](C)(C)C | TMS | 188.0869 | Semi standard non polar | 1099.9342 |
RI00017508 | Methylacetoacetic acid,1TMS,isomer#2 | JsmolC=C(CC(=O)OC)O[Si](C)(C)C | TMS | 188.0869 | Semi standard non polar | 1054.0573 |
RI00017509 | Methylacetoacetic acid,1TBDMS,isomer#1 | JsmolCOC(=O)C=C(C)O[Si](C)(C)C(C)(C)C | TBDMS | 230.1338 | Semi standard non polar | 1313.7278 |
RI00017510 | Methylacetoacetic acid,1TBDMS,isomer#2 | JsmolC=C(CC(=O)OC)O[Si](C)(C)C(C)(C)C | TBDMS | 230.1338 | Semi standard non polar | 1248.6316 |
RI00017511 | Methylacetoacetic acid,1TMS,isomer#1 | JsmolCOC(=O)C=C(C)O[Si](C)(C)C | TMS | 188.0869 | Standard polar | 1348.4701 |
RI00017512 | Methylacetoacetic acid,1TMS,isomer#2 | JsmolC=C(CC(=O)OC)O[Si](C)(C)C | TMS | 188.0869 | Standard polar | 1350.9836 |
RI00017513 | Methylacetoacetic acid,1TBDMS,isomer#1 | JsmolCOC(=O)C=C(C)O[Si](C)(C)C(C)(C)C | TBDMS | 230.1338 | Standard polar | 1521.967 |
RI00017514 | Methylacetoacetic acid,1TBDMS,isomer#2 | JsmolC=C(CC(=O)OC)O[Si](C)(C)C(C)(C)C | TBDMS | 230.1338 | Standard polar | 1527.5062 |
RI00017515 | 3b,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid,1TMS,isomer#1 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@H](O)[C@H](O)[C@H]1C[C@H]3O | TMS | 496.322 | Semi standard non polar | 3503.755 |
RI00017516 | 3b,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid,1TMS,isomer#2 | JsmolC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@H](O)[C@H](O)[C@H]1C[C@H]3O | TMS | 496.322 | Semi standard non polar | 3508.9138 |
RI00017517 | 3b,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid,1TMS,isomer#3 | JsmolC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@H](O)[C@H](O)[C@H]1C[C@H]3O[Si](C)(C)C | TMS | 496.322 | Semi standard non polar | 3431.4072 |
RI00017518 | 3b,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid,1TMS,isomer#4 | JsmolC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1C[C@H]3O | TMS | 496.322 | Semi standard non polar | 3445.8237 |
RI00017519 | 3b,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid,1TMS,isomer#5 | JsmolC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1C[C@H]3O | TMS | 496.322 | Semi standard non polar | 3481.298 |
RI00017520 | 3b,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid,2TMS,isomer#1 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@H](O)[C@H](O)[C@H]1C[C@H]3O | TMS | 568.3615 | Semi standard non polar | 3446.6777 |
RI00017521 | 3b,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid,2TMS,isomer#2 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1C[C@H]3O | TMS | 568.3615 | Semi standard non polar | 3420.9285 |
RI00017522 | 3b,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid,2TMS,isomer#3 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1C[C@H]3O | TMS | 568.3615 | Semi standard non polar | 3381.8008 |
RI00017523 | 3b,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid,2TMS,isomer#4 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@H](O)[C@H](O)[C@H]1C[C@H]3O[Si](C)(C)C | TMS | 568.3615 | Semi standard non polar | 3365.1814 |
RI00017524 | 3b,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid,2TMS,isomer#5 | JsmolC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1C[C@H]3O | TMS | 568.3615 | Semi standard non polar | 3416.8843 |
RI00017525 | 3b,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid,2TMS,isomer#6 | JsmolC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1C[C@H]3O | TMS | 568.3615 | Semi standard non polar | 3385.6304 |