RI01716301 | Histamine-betaxanthin,3TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)C1=C/C(=C/C=N\CCC2=CN=CN2[Si](C)(C)C)C[C@@H](C(=O)O[Si](C)(C)C)N1 | TMS | 520.2357 | Standard polar | 4246.9844 |
RI01716300 | Histamine-betaxanthin,4TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=N\CCC2=CN=CN2[Si](C)(C)C(C)(C)C)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C | TBDMS | 760.4631 | Semi standard non polar | 3851.094 |
RI01716299 | Histamine-betaxanthin,3TBDMS,isomer#4 | JsmolCC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C/C(=C\C=N/CCC2=CN=CN2[Si](C)(C)C(C)(C)C)C=C(C(=O)O)N1[Si](C)(C)C(C)(C)C | TBDMS | 646.3766 | Semi standard non polar | 3701.1777 |
RI01716298 | Histamine-betaxanthin,3TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=N\CCC2=CN=CN2[Si](C)(C)C(C)(C)C)C[C@@H](C(=O)O)N1[Si](C)(C)C(C)(C)C | TBDMS | 646.3766 | Semi standard non polar | 3707.7612 |
RI01716297 | Histamine-betaxanthin,3TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=N\CCC2=CN=C[NH]2)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C | TBDMS | 646.3766 | Semi standard non polar | 3613.8796 |
RI01716296 | Histamine-betaxanthin,3TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=N\CCC2=CN=CN2[Si](C)(C)C(C)(C)C)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N1 | TBDMS | 646.3766 | Semi standard non polar | 3677.3818 |
RI01716295 | Histamine-betaxanthin,4TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)C1=C/C(=C/C=N\CCC2=CN=CN2[Si](C)(C)C)C[C@@H](C(=O)O[Si](C)(C)C)N1[Si](C)(C)C | TMS | 592.2753 | Semi standard non polar | 3038.2449 |
RI01716294 | Histamine-betaxanthin,3TMS,isomer#4 | JsmolC[Si](C)(C)OC(=O)[C@@H]1C/C(=C\C=N/CCC2=CN=CN2[Si](C)(C)C)C=C(C(=O)O)N1[Si](C)(C)C | TMS | 520.2357 | Semi standard non polar | 3033.3406 |
RI01716293 | Histamine-betaxanthin,3TMS,isomer#3 | JsmolC[Si](C)(C)OC(=O)C1=C/C(=C/C=N\CCC2=CN=CN2[Si](C)(C)C)C[C@@H](C(=O)O)N1[Si](C)(C)C | TMS | 520.2357 | Semi standard non polar | 3052.6096 |
RI01716292 | Histamine-betaxanthin,3TMS,isomer#2 | JsmolC[Si](C)(C)OC(=O)C1=C/C(=C/C=N\CCC2=CN=C[NH]2)C[C@@H](C(=O)O[Si](C)(C)C)N1[Si](C)(C)C | TMS | 520.2357 | Semi standard non polar | 2999.0237 |
RI01716291 | Histamine-betaxanthin,3TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)C1=C/C(=C/C=N\CCC2=CN=CN2[Si](C)(C)C)C[C@@H](C(=O)O[Si](C)(C)C)N1 | TMS | 520.2357 | Semi standard non polar | 3078.9514 |
RI01716290 | Histamine-betaxanthin,4TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=N\CCC2=CN=CN2[Si](C)(C)C(C)(C)C)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C | TBDMS | 760.4631 | Standard non polar | 3191.4185 |
RI01716289 | Histamine-betaxanthin,3TBDMS,isomer#4 | JsmolCC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C/C(=C\C=N/CCC2=CN=CN2[Si](C)(C)C(C)(C)C)C=C(C(=O)O)N1[Si](C)(C)C(C)(C)C | TBDMS | 646.3766 | Standard non polar | 3097.46 |
RI01716288 | Histamine-betaxanthin,3TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=N\CCC2=CN=CN2[Si](C)(C)C(C)(C)C)C[C@@H](C(=O)O)N1[Si](C)(C)C(C)(C)C | TBDMS | 646.3766 | Standard non polar | 3063.1624 |
RI01716287 | Histamine-betaxanthin,3TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=N\CCC2=CN=C[NH]2)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C | TBDMS | 646.3766 | Standard non polar | 3012.11 |
RI01716286 | Histamine-betaxanthin,3TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=N\CCC2=CN=CN2[Si](C)(C)C(C)(C)C)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N1 | TBDMS | 646.3766 | Standard non polar | 3204.6167 |
RI01716285 | Histamine-betaxanthin,4TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)C1=C/C(=C/C=N\CCC2=CN=CN2[Si](C)(C)C)C[C@@H](C(=O)O[Si](C)(C)C)N1[Si](C)(C)C | TMS | 592.2753 | Standard non polar | 2643.1455 |
RI01716284 | Histamine-betaxanthin,3TMS,isomer#4 | JsmolC[Si](C)(C)OC(=O)[C@@H]1C/C(=C\C=N/CCC2=CN=CN2[Si](C)(C)C)C=C(C(=O)O)N1[Si](C)(C)C | TMS | 520.2357 | Standard non polar | 2636.5862 |
RI01716283 | Histamine-betaxanthin,3TMS,isomer#3 | JsmolC[Si](C)(C)OC(=O)C1=C/C(=C/C=N\CCC2=CN=CN2[Si](C)(C)C)C[C@@H](C(=O)O)N1[Si](C)(C)C | TMS | 520.2357 | Standard non polar | 2664.8525 |
RI01716282 | Histamine-betaxanthin,3TMS,isomer#2 | JsmolC[Si](C)(C)OC(=O)C1=C/C(=C/C=N\CCC2=CN=C[NH]2)C[C@@H](C(=O)O[Si](C)(C)C)N1[Si](C)(C)C | TMS | 520.2357 | Standard non polar | 2601.2632 |
RI01716281 | Histamine-betaxanthin,3TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)C1=C/C(=C/C=N\CCC2=CN=CN2[Si](C)(C)C)C[C@@H](C(=O)O[Si](C)(C)C)N1 | TMS | 520.2357 | Standard non polar | 2699.086 |
RI01716280 | Glycine-betaxanthin,4TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)C/N=C\C=C1\C=C(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[C@H](C(=O)O[Si](C)(C)C(C)(C)C)C1 | TBDMS | 724.4154 | Standard polar | 3297.2705 |
RI01716279 | Glycine-betaxanthin,4TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)C/N=C\C=C1\C=C(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[C@H](C(=O)O[Si](C)(C)C)C1 | TMS | 556.2276 | Standard polar | 3102.728 |
RI01716278 | Glycine-betaxanthin,4TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)C/N=C\C=C1\C=C(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[C@H](C(=O)O[Si](C)(C)C(C)(C)C)C1 | TBDMS | 724.4154 | Semi standard non polar | 3367.0105 |
RI01716277 | Glycine-betaxanthin,4TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)C/N=C\C=C1\C=C(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[C@H](C(=O)O[Si](C)(C)C)C1 | TMS | 556.2276 | Semi standard non polar | 2503.7515 |