RI00001001 | Carnosine,2TBDMS,isomer#6 | JsmolCC(C)(C)[Si](C)(C)NCCC(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O | TBDMS | 454.2795 | Standard non polar | 2802.9585 |
RI00001002 | Carnosine,2TBDMS,isomer#7 | JsmolCC(C)(C)[Si](C)(C)N(C(=O)CCN)[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O | TBDMS | 454.2795 | Standard non polar | 2730.306 |
RI00001003 | Carnosine,3TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)NC(=O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 568.366 | Standard non polar | 3025.4324 |
RI00001004 | Carnosine,3TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)NCCC(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 568.366 | Standard non polar | 2923.2349 |
RI00001005 | Carnosine,3TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)NCCC(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | TBDMS | 568.366 | Standard non polar | 2979.8252 |
RI00001006 | Carnosine,3TBDMS,isomer#4 | JsmolCC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)N(C(=O)CCN)[Si](C)(C)C(C)(C)C | TBDMS | 568.366 | Standard non polar | 2925.5237 |
RI00001007 | Carnosine,3TBDMS,isomer#5 | JsmolCC(C)(C)[Si](C)(C)N(C(=O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC1=CN=C[NH]1)C(=O)O | TBDMS | 568.366 | Standard non polar | 3068.6677 |
RI00001008 | Carnosine,3TBDMS,isomer#6 | JsmolCC(C)(C)[Si](C)(C)N(CCC(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C | TBDMS | 568.366 | Standard non polar | 3096.5347 |
RI00001009 | Carnosine,3TBDMS,isomer#7 | JsmolCC(C)(C)[Si](C)(C)NCCC(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C | TBDMS | 568.366 | Standard non polar | 3018.1587 |
RI00001010 | Carnosine,4TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)NC(=O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 682.4525 | Standard non polar | 3258.686 |
RI00001011 | Carnosine,4TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)N(C(=O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 682.4525 | Standard non polar | 3180.5103 |
RI00001012 | Carnosine,4TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)NCCC(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 682.4525 | Standard non polar | 3175.8926 |
RI00001013 | Carnosine,4TBDMS,isomer#4 | JsmolCC(C)(C)[Si](C)(C)N(C(=O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O | TBDMS | 682.4525 | Standard non polar | 3301.7917 |
RI00001014 | Carnosine,5TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)N(C(=O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 796.539 | Standard non polar | 3442.6555 |
RI00001015 | Carnosine | JsmolNCCC(=O)N[C@@H](CC1=CN=CN1)C(O)=O | Underivatized | 226.1066 | Standard non polar | 2290.8342 |
RI00001016 | Carnosine | JsmolNCCC(=O)N[C@@H](CC1=CN=CN1)C(O)=O | Underivatized | 226.1066 | Semi standard non polar | 2484.9128 |
RI00001017 | Carnosine,2TMS,isomer#1 | JsmolC[Si](C)(C)NCCC(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C | TMS | 370.1856 | Semi standard non polar | 2478.4968 |
RI00001018 | Carnosine,2TMS,isomer#2 | JsmolC[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)NC(=O)CCN | TMS | 370.1856 | Semi standard non polar | 2452.5784 |
RI00001019 | Carnosine,2TMS,isomer#3 | JsmolC[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)N(C(=O)CCN)[Si](C)(C)C | TMS | 370.1856 | Semi standard non polar | 2282.3997 |
RI00001020 | Carnosine,2TMS,isomer#4 | JsmolC[Si](C)(C)N(CCC(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C | TMS | 370.1856 | Semi standard non polar | 2558.5806 |
RI00001021 | Carnosine,2TMS,isomer#5 | JsmolC[Si](C)(C)NCCC(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C | TMS | 370.1856 | Semi standard non polar | 2372.025 |
RI00001022 | Carnosine,2TMS,isomer#6 | JsmolC[Si](C)(C)NCCC(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O | TMS | 370.1856 | Semi standard non polar | 2552.0396 |
RI00001023 | Carnosine,2TMS,isomer#7 | JsmolC[Si](C)(C)N(C(=O)CCN)[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O | TMS | 370.1856 | Semi standard non polar | 2362.391 |
RI00001024 | Carnosine,3TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)NC(=O)CCN([Si](C)(C)C)[Si](C)(C)C | TMS | 442.2252 | Semi standard non polar | 2588.1492 |
RI00001025 | Carnosine,3TMS,isomer#2 | JsmolC[Si](C)(C)NCCC(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)[Si](C)(C)C | TMS | 442.2252 | Semi standard non polar | 2393.888 |