Derivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
---|
N-Acetylkynurenine,1TMS,isomer #1 | CC(=O)N[C@@H](CC(=O)C1=CC=CC=C1N)C(=O)O[Si](C)(C)C | 2310.5 | Semi standard non polar | 33892256 |
N-Acetylkynurenine,1TMS,isomer #2 | CC(=O)N[C@@H](CC(=O)C1=CC=CC=C1N[Si](C)(C)C)C(=O)O | 2395.8 | Semi standard non polar | 33892256 |
N-Acetylkynurenine,1TMS,isomer #3 | CC(=O)N([C@@H](CC(=O)C1=CC=CC=C1N)C(=O)O)[Si](C)(C)C | 2278.1 | Semi standard non polar | 33892256 |
N-Acetylkynurenine,2TMS,isomer #1 | CC(=O)N[C@@H](CC(=O)C1=CC=CC=C1N[Si](C)(C)C)C(=O)O[Si](C)(C)C | 2382.4 | Semi standard non polar | 33892256 |
N-Acetylkynurenine,2TMS,isomer #1 | CC(=O)N[C@@H](CC(=O)C1=CC=CC=C1N[Si](C)(C)C)C(=O)O[Si](C)(C)C | 2301.9 | Standard non polar | 33892256 |
N-Acetylkynurenine,2TMS,isomer #1 | CC(=O)N[C@@H](CC(=O)C1=CC=CC=C1N[Si](C)(C)C)C(=O)O[Si](C)(C)C | 3032.9 | Standard polar | 33892256 |
N-Acetylkynurenine,2TMS,isomer #2 | CC(=O)N([C@@H](CC(=O)C1=CC=CC=C1N)C(=O)O[Si](C)(C)C)[Si](C)(C)C | 2269.6 | Semi standard non polar | 33892256 |
N-Acetylkynurenine,2TMS,isomer #2 | CC(=O)N([C@@H](CC(=O)C1=CC=CC=C1N)C(=O)O[Si](C)(C)C)[Si](C)(C)C | 2306.5 | Standard non polar | 33892256 |
N-Acetylkynurenine,2TMS,isomer #2 | CC(=O)N([C@@H](CC(=O)C1=CC=CC=C1N)C(=O)O[Si](C)(C)C)[Si](C)(C)C | 3304.9 | Standard polar | 33892256 |
N-Acetylkynurenine,2TMS,isomer #3 | CC(=O)N([C@@H](CC(=O)C1=CC=CC=C1N[Si](C)(C)C)C(=O)O)[Si](C)(C)C | 2347.5 | Semi standard non polar | 33892256 |
N-Acetylkynurenine,2TMS,isomer #3 | CC(=O)N([C@@H](CC(=O)C1=CC=CC=C1N[Si](C)(C)C)C(=O)O)[Si](C)(C)C | 2399.0 | Standard non polar | 33892256 |
N-Acetylkynurenine,2TMS,isomer #3 | CC(=O)N([C@@H](CC(=O)C1=CC=CC=C1N[Si](C)(C)C)C(=O)O)[Si](C)(C)C | 3050.0 | Standard polar | 33892256 |
N-Acetylkynurenine,2TMS,isomer #4 | CC(=O)N[C@@H](CC(=O)C1=CC=CC=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O | 2346.5 | Semi standard non polar | 33892256 |
N-Acetylkynurenine,2TMS,isomer #4 | CC(=O)N[C@@H](CC(=O)C1=CC=CC=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O | 2420.8 | Standard non polar | 33892256 |
N-Acetylkynurenine,2TMS,isomer #4 | CC(=O)N[C@@H](CC(=O)C1=CC=CC=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O | 3170.5 | Standard polar | 33892256 |
N-Acetylkynurenine,3TMS,isomer #1 | CC(=O)N([C@@H](CC(=O)C1=CC=CC=C1N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C | 2378.2 | Semi standard non polar | 33892256 |
N-Acetylkynurenine,3TMS,isomer #1 | CC(=O)N([C@@H](CC(=O)C1=CC=CC=C1N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C | 2370.9 | Standard non polar | 33892256 |
N-Acetylkynurenine,3TMS,isomer #1 | CC(=O)N([C@@H](CC(=O)C1=CC=CC=C1N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C | 2785.0 | Standard polar | 33892256 |
N-Acetylkynurenine,3TMS,isomer #2 | CC(=O)N[C@@H](CC(=O)C1=CC=CC=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C | 2354.3 | Semi standard non polar | 33892256 |
N-Acetylkynurenine,3TMS,isomer #2 | CC(=O)N[C@@H](CC(=O)C1=CC=CC=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C | 2385.6 | Standard non polar | 33892256 |
N-Acetylkynurenine,3TMS,isomer #2 | CC(=O)N[C@@H](CC(=O)C1=CC=CC=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C | 2778.7 | Standard polar | 33892256 |
N-Acetylkynurenine,3TMS,isomer #3 | CC(=O)N([C@@H](CC(=O)C1=CC=CC=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C | 2321.8 | Semi standard non polar | 33892256 |
N-Acetylkynurenine,3TMS,isomer #3 | CC(=O)N([C@@H](CC(=O)C1=CC=CC=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C | 2511.9 | Standard non polar | 33892256 |
N-Acetylkynurenine,3TMS,isomer #3 | CC(=O)N([C@@H](CC(=O)C1=CC=CC=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C | 2825.5 | Standard polar | 33892256 |
N-Acetylkynurenine,4TMS,isomer #1 | CC(=O)N([C@@H](CC(=O)C1=CC=CC=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C | 2366.7 | Semi standard non polar | 33892256 |
N-Acetylkynurenine,4TMS,isomer #1 | CC(=O)N([C@@H](CC(=O)C1=CC=CC=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C | 2476.2 | Standard non polar | 33892256 |
N-Acetylkynurenine,4TMS,isomer #1 | CC(=O)N([C@@H](CC(=O)C1=CC=CC=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C | 2571.0 | Standard polar | 33892256 |
N-Acetylkynurenine,1TBDMS,isomer #1 | CC(=O)N[C@@H](CC(=O)C1=CC=CC=C1N)C(=O)O[Si](C)(C)C(C)(C)C | 2564.9 | Semi standard non polar | 33892256 |
N-Acetylkynurenine,1TBDMS,isomer #2 | CC(=O)N[C@@H](CC(=O)C1=CC=CC=C1N[Si](C)(C)C(C)(C)C)C(=O)O | 2644.5 | Semi standard non polar | 33892256 |
N-Acetylkynurenine,1TBDMS,isomer #3 | CC(=O)N([C@@H](CC(=O)C1=CC=CC=C1N)C(=O)O)[Si](C)(C)C(C)(C)C | 2518.8 | Semi standard non polar | 33892256 |
N-Acetylkynurenine,2TBDMS,isomer #1 | CC(=O)N[C@@H](CC(=O)C1=CC=CC=C1N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2858.8 | Semi standard non polar | 33892256 |
N-Acetylkynurenine,2TBDMS,isomer #1 | CC(=O)N[C@@H](CC(=O)C1=CC=CC=C1N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2738.3 | Standard non polar | 33892256 |
N-Acetylkynurenine,2TBDMS,isomer #1 | CC(=O)N[C@@H](CC(=O)C1=CC=CC=C1N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 3171.8 | Standard polar | 33892256 |
N-Acetylkynurenine,2TBDMS,isomer #2 | CC(=O)N([C@@H](CC(=O)C1=CC=CC=C1N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2736.8 | Semi standard non polar | 33892256 |
N-Acetylkynurenine,2TBDMS,isomer #2 | CC(=O)N([C@@H](CC(=O)C1=CC=CC=C1N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2754.6 | Standard non polar | 33892256 |
N-Acetylkynurenine,2TBDMS,isomer #2 | CC(=O)N([C@@H](CC(=O)C1=CC=CC=C1N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 3337.1 | Standard polar | 33892256 |
N-Acetylkynurenine,2TBDMS,isomer #3 | CC(=O)N([C@@H](CC(=O)C1=CC=CC=C1N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C | 2814.9 | Semi standard non polar | 33892256 |
N-Acetylkynurenine,2TBDMS,isomer #3 | CC(=O)N([C@@H](CC(=O)C1=CC=CC=C1N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C | 2804.8 | Standard non polar | 33892256 |
N-Acetylkynurenine,2TBDMS,isomer #3 | CC(=O)N([C@@H](CC(=O)C1=CC=CC=C1N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C | 3186.9 | Standard polar | 33892256 |
N-Acetylkynurenine,2TBDMS,isomer #4 | CC(=O)N[C@@H](CC(=O)C1=CC=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O | 2838.7 | Semi standard non polar | 33892256 |
N-Acetylkynurenine,2TBDMS,isomer #4 | CC(=O)N[C@@H](CC(=O)C1=CC=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O | 2786.4 | Standard non polar | 33892256 |
N-Acetylkynurenine,2TBDMS,isomer #4 | CC(=O)N[C@@H](CC(=O)C1=CC=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O | 3224.7 | Standard polar | 33892256 |
N-Acetylkynurenine,3TBDMS,isomer #1 | CC(=O)N([C@@H](CC(=O)C1=CC=CC=C1N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 3012.2 | Semi standard non polar | 33892256 |
N-Acetylkynurenine,3TBDMS,isomer #1 | CC(=O)N([C@@H](CC(=O)C1=CC=CC=C1N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2985.4 | Standard non polar | 33892256 |
N-Acetylkynurenine,3TBDMS,isomer #1 | CC(=O)N([C@@H](CC(=O)C1=CC=CC=C1N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 3100.4 | Standard polar | 33892256 |
N-Acetylkynurenine,3TBDMS,isomer #2 | CC(=O)N[C@@H](CC(=O)C1=CC=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 3015.3 | Semi standard non polar | 33892256 |
N-Acetylkynurenine,3TBDMS,isomer #2 | CC(=O)N[C@@H](CC(=O)C1=CC=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2966.9 | Standard non polar | 33892256 |
N-Acetylkynurenine,3TBDMS,isomer #2 | CC(=O)N[C@@H](CC(=O)C1=CC=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 3055.0 | Standard polar | 33892256 |
N-Acetylkynurenine,3TBDMS,isomer #3 | CC(=O)N([C@@H](CC(=O)C1=CC=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C | 3011.9 | Semi standard non polar | 33892256 |
N-Acetylkynurenine,3TBDMS,isomer #3 | CC(=O)N([C@@H](CC(=O)C1=CC=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C | 3053.4 | Standard non polar | 33892256 |
N-Acetylkynurenine,3TBDMS,isomer #3 | CC(=O)N([C@@H](CC(=O)C1=CC=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C | 3084.3 | Standard polar | 33892256 |
N-Acetylkynurenine,4TBDMS,isomer #1 | CC(=O)N([C@@H](CC(=O)C1=CC=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 3225.1 | Semi standard non polar | 33892256 |
N-Acetylkynurenine,4TBDMS,isomer #1 | CC(=O)N([C@@H](CC(=O)C1=CC=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 3206.7 | Standard non polar | 33892256 |
N-Acetylkynurenine,4TBDMS,isomer #1 | CC(=O)N([C@@H](CC(=O)C1=CC=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2963.0 | Standard polar | 33892256 |