RI00000976 | Carnosine | JsmolNCCC(=O)N[C@@H](CC1=CN=CN1)C(O)=O | Underivatized | 226.1066 | Standard polar | 3266.3894 |
RI00000977 | 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 | Standard non polar | 2387.066 |
RI00000978 | 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 | Standard non polar | 2287.575 |
RI00000979 | 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 | Standard non polar | 2256.6936 |
RI00000980 | 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 | Standard non polar | 2564.6548 |
RI00000981 | 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 | Standard non polar | 2445.247 |
RI00000982 | 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 | Standard non polar | 2439.5942 |
RI00000983 | 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 | Standard non polar | 2330.9956 |
RI00000984 | 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 | Standard non polar | 2478.601 |
RI00000985 | 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 | Standard non polar | 2403.0635 |
RI00000986 | Carnosine,3TMS,isomer#3 | JsmolC[Si](C)(C)NCCC(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C | TMS | 442.2252 | Standard non polar | 2408.5789 |
RI00000987 | Carnosine,3TMS,isomer#4 | JsmolC[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)N(C(=O)CCN)[Si](C)(C)C | TMS | 442.2252 | Standard non polar | 2349.1064 |
RI00000988 | Carnosine,3TMS,isomer#5 | JsmolC[Si](C)(C)N(C(=O)CCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CN=C[NH]1)C(=O)O | TMS | 442.2252 | Standard non polar | 2560.9324 |
RI00000989 | Carnosine,3TMS,isomer#6 | JsmolC[Si](C)(C)N(CCC(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C | TMS | 442.2252 | Standard non polar | 2559.4272 |
RI00000990 | Carnosine,3TMS,isomer#7 | JsmolC[Si](C)(C)NCCC(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C | TMS | 442.2252 | Standard non polar | 2479.397 |
RI00000991 | Carnosine,4TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)NC(=O)CCN([Si](C)(C)C)[Si](C)(C)C | TMS | 514.2647 | Standard non polar | 2525.8687 |
RI00000992 | Carnosine,4TMS,isomer#2 | JsmolC[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)N(C(=O)CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | TMS | 514.2647 | Standard non polar | 2514.8481 |
RI00000993 | Carnosine,4TMS,isomer#3 | JsmolC[Si](C)(C)NCCC(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C | TMS | 514.2647 | Standard non polar | 2468.7263 |
RI00000994 | Carnosine,4TMS,isomer#4 | JsmolC[Si](C)(C)N(C(=O)CCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O | TMS | 514.2647 | Standard non polar | 2622.5027 |
RI00000995 | Carnosine,5TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)N(C(=O)CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | TMS | 586.3042 | Standard non polar | 2596.8438 |
RI00000996 | Carnosine,2TBDMS,isomer#1 | 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 | TBDMS | 454.2795 | Standard non polar | 2757.2136 |
RI00000997 | Carnosine,2TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)NC(=O)CCN | TBDMS | 454.2795 | Standard non polar | 2706.7637 |
RI00000998 | Carnosine,2TBDMS,isomer#3 | 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 | TBDMS | 454.2795 | Standard non polar | 2671.015 |
RI00000999 | Carnosine,2TBDMS,isomer#4 | JsmolCC(C)(C)[Si](C)(C)N(CCC(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C | TBDMS | 454.2795 | Standard non polar | 2913.1477 |
RI00001000 | Carnosine,2TBDMS,isomer#5 | 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 | TBDMS | 454.2795 | Standard non polar | 2790.4834 |