RI00001076 | 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 polar | 3506.467 |
RI00001077 | 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 polar | 3572.8435 |
RI00001078 | 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 polar | 3421.7512 |
RI00001079 | 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 polar | 3452.6384 |
RI00001080 | 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 polar | 3496.7495 |
RI00001081 | 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 polar | 3263.206 |
RI00001082 | 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 polar | 3185.3176 |
RI00001083 | 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 polar | 3191.9368 |
RI00001084 | 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 polar | 3332.5762 |
RI00001085 | 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 polar | 3303.37 |
RI00001086 | 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 polar | 3331.6704 |
RI00001087 | 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 polar | 3245.338 |
RI00001088 | 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 polar | 3161.165 |
RI00001089 | 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 polar | 3112.8938 |
RI00001090 | 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 polar | 3116.5935 |
RI00001091 | 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 polar | 3208.562 |
RI00001092 | 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 polar | 3102.6042 |
RI00001093 | Adenine | JsmolNC1=C2NC=NC2=NC=N1 | Underivatized | 135.0545 | Standard polar | 2377.293 |
RI00001094 | Adenine,1TMS,isomer#1 | JsmolC[Si](C)(C)NC1=NC=NC2=C1[NH]C=N2 | TMS | 207.094 | Standard non polar | 1796.0911 |
RI00001095 | Adenine,1TMS,isomer#2 | JsmolC[Si](C)(C)N1C=NC2=NC=NC(N)=C21 | TMS | 207.094 | Standard non polar | 1757.9215 |
RI00001096 | Adenine,2TMS,isomer#1 | JsmolC[Si](C)(C)N(C1=NC=NC2=C1[NH]C=N2)[Si](C)(C)C | TMS | 279.1335 | Standard non polar | 1887.6624 |
RI00001097 | Adenine,2TMS,isomer#2 | JsmolC[Si](C)(C)NC1=NC=NC2=C1N([Si](C)(C)C)C=N2 | TMS | 279.1335 | Standard non polar | 1790.099 |
RI00001098 | Adenine,3TMS,isomer#1 | JsmolC[Si](C)(C)N(C1=NC=NC2=C1N([Si](C)(C)C)C=N2)[Si](C)(C)C | TMS | 351.1731 | Standard non polar | 1901.4178 |
RI00001099 | Adenine,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)NC1=NC=NC2=C1[NH]C=N2 | TBDMS | 249.141 | Standard non polar | 1950.7201 |
RI00001100 | Adenine,1TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)N1C=NC2=NC=NC(N)=C21 | TBDMS | 249.141 | Standard non polar | 1938.3239 |