RI00000968 | Carnosine,1TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)NC(=O)CCN | TMS | 298.1461 | Semi standard non polar | 2338.4565 |
RI00000967 | 7-Dehydrocholesterol | Jsmol[H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C | Underivatized | 384.3392 | Semi standard non polar | 3122.9404 |
RI00000966 | 7-Dehydrocholesterol | Jsmol[H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C | Underivatized | 384.3392 | Standard non polar | 3157.3337 |
RI00000965 | 7-Dehydrocholesterol | Jsmol[H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C | Underivatized | 384.3392 | Standard polar | 2963.9343 |
RI00000964 | 7-Dehydrocholesterol,1TBDMS,isomer#1 | JsmolCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C | TBDMS | 498.4257 | Semi standard non polar | 3489.4028 |
RI00000963 | 7-Dehydrocholesterol,1TMS,isomer#1 | JsmolCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C | TMS | 456.3787 | Semi standard non polar | 3254.1497 |
RI00000962 | Androsterone,2TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC1=CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C | TBDMS | 518.3975 | Standard polar | 3181.2039 |
RI00000961 | Androsterone,2TMS,isomer#1 | JsmolC[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O[Si](C)(C)C)CC[C@@]43C)[C@@H]1CC=C2O[Si](C)(C)C | TMS | 434.3036 | Standard polar | 2935.9758 |
RI00000960 | Androsterone,2TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC1=CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C | TBDMS | 518.3975 | Semi standard non polar | 3133.7822 |
RI00000959 | Androsterone,2TMS,isomer#1 | JsmolC[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O[Si](C)(C)C)CC[C@@]43C)[C@@H]1CC=C2O[Si](C)(C)C | TMS | 434.3036 | Semi standard non polar | 2600.9104 |
RI00000958 | Androsterone | Jsmol[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C | Underivatized | 290.2246 | Semi standard non polar | 2635.174 |
RI00000957 | Androsterone | Jsmol[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C | Underivatized | 290.2246 | Standard non polar | 2445.5425 |
RI00000956 | Androsterone,2TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC1=CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C | TBDMS | 518.3975 | Standard non polar | 2774.1838 |
RI00000955 | Androsterone,2TMS,isomer#1 | JsmolC[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O[Si](C)(C)C)CC[C@@]43C)[C@@H]1CC=C2O[Si](C)(C)C | TMS | 434.3036 | Standard non polar | 2517.2512 |
RI00000954 | Androsterone | Jsmol[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C | Underivatized | 290.2246 | Standard polar | 2293.9885 |
RI00000953 | Androsterone,1TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC1=CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C | TBDMS | 404.3111 | Semi standard non polar | 2849.5771 |
RI00000952 | Androsterone,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 | TBDMS | 404.3111 | Semi standard non polar | 2814.7214 |
RI00000951 | Androsterone,1TMS,isomer#2 | JsmolC[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC=C2O[Si](C)(C)C | TMS | 362.2641 | Semi standard non polar | 2576.496 |
RI00000950 | Androsterone,1TMS,isomer#1 | JsmolC[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O[Si](C)(C)C)CC[C@@]43C)[C@@H]1CCC2=O | TMS | 362.2641 | Semi standard non polar | 2570.622 |
RI00000949 | Biotin,3TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C(C)(C)C)C(=O)N2[Si](C)(C)C(C)(C)C | TBDMS | 586.3476 | Standard polar | 3092.8428 |
RI00000948 | Biotin,2TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)N1C(=O)N([Si](C)(C)C(C)(C)C)[C@H]2CS[C@@H](CCCCC(=O)O)[C@H]21 | TBDMS | 472.2611 | Standard polar | 3231.0247 |
RI00000947 | Biotin,2TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N([Si](C)(C)C(C)(C)C)[C@H]12 | TBDMS | 472.2611 | Standard polar | 4008.638 |
RI00000946 | Biotin,2TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2[Si](C)(C)C(C)(C)C | TBDMS | 472.2611 | Standard polar | 3986.9631 |
RI00000945 | Biotin,3TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N([Si](C)(C)C)C(=O)N2[Si](C)(C)C | TMS | 460.2067 | Standard polar | 2983.0486 |
RI00000944 | Biotin,2TMS,isomer#3 | JsmolC[Si](C)(C)N1C(=O)N([Si](C)(C)C)[C@H]2CS[C@@H](CCCCC(=O)O)[C@H]21 | TMS | 388.1672 | Standard polar | 3326.7603 |