RI01722834 | Hippuric acid sulfate,1TMS,isomer#2 | JsmolC[Si](C)(C)N(CC(=O)OS(=O)(=O)O)C(=O)C1=CC=CC=C1 | TMS | 331.0546 | Standard polar | 3445.4495 |
RI01722835 | Hippuric acid sulfate,2TMS,isomer#1 | JsmolC[Si](C)(C)OS(=O)(=O)OC(=O)CN(C(=O)C1=CC=CC=C1)[Si](C)(C)C | TMS | 403.0941 | Standard polar | 3087.1135 |
RI01722836 | Hippuric acid sulfate,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OS(=O)(=O)OC(=O)CNC(=O)C1=CC=CC=C1 | TBDMS | 373.1015 | Standard polar | 3349.1467 |
RI01722837 | Hippuric acid sulfate,1TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)N(CC(=O)OS(=O)(=O)O)C(=O)C1=CC=CC=C1 | TBDMS | 373.1015 | Standard polar | 3481.838 |
RI01722838 | Hippuric acid sulfate,2TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OS(=O)(=O)OC(=O)CN(C(=O)C1=CC=CC=C1)[Si](C)(C)C(C)(C)C | TBDMS | 487.188 | Standard polar | 3165.2837 |
RI01722839 | Quinolin-2-yl hydrogen sulfate,1TMS,isomer#1 | JsmolC[Si](C)(C)OS(=O)(=O)OC1=CC=C2C=CC=CC2=N1 | TMS | 297.0491 | Standard non polar | 1994.8131 |
RI01722840 | Quinolin-2-yl hydrogen sulfate,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OS(=O)(=O)OC1=CC=C2C=CC=CC2=N1 | TBDMS | 339.0961 | Standard non polar | 2240.3147 |
RI01722841 | Quinolin-2-yl hydrogen sulfate,1TMS,isomer#1 | JsmolC[Si](C)(C)OS(=O)(=O)OC1=CC=C2C=CC=CC2=N1 | TMS | 297.0491 | Semi standard non polar | 1936.4526 |
RI01722842 | Quinolin-2-yl hydrogen sulfate,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OS(=O)(=O)OC1=CC=C2C=CC=CC2=N1 | TBDMS | 339.0961 | Semi standard non polar | 2197.5928 |
RI01722843 | Quinolin-2-yl hydrogen sulfate,1TMS,isomer#1 | JsmolC[Si](C)(C)OS(=O)(=O)OC1=CC=C2C=CC=CC2=N1 | TMS | 297.0491 | Standard polar | 3104.848 |
RI01722844 | Quinolin-2-yl hydrogen sulfate,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OS(=O)(=O)OC1=CC=C2C=CC=CC2=N1 | TBDMS | 339.0961 | Standard polar | 3134.656 |
RI01722845 | Indole carboxylic acid sulfate,1TMS,isomer#1 | JsmolC[Si](C)(C)OS(=O)(=O)OC(=O)N1C=CC2=CC=CC=C21 | TMS | 313.044 | Standard non polar | 2185.4622 |
RI01722846 | Indole carboxylic acid sulfate,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OS(=O)(=O)OC(=O)N1C=CC2=CC=CC=C21 | TBDMS | 355.091 | Standard non polar | 2464.0298 |
RI01722847 | Indole carboxylic acid sulfate,1TMS,isomer#1 | JsmolC[Si](C)(C)OS(=O)(=O)OC(=O)N1C=CC2=CC=CC=C21 | TMS | 313.044 | Semi standard non polar | 2079.654 |
RI01722848 | Indole carboxylic acid sulfate,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OS(=O)(=O)OC(=O)N1C=CC2=CC=CC=C21 | TBDMS | 355.091 | Semi standard non polar | 2306.394 |
RI01722849 | Indole carboxylic acid sulfate,1TMS,isomer#1 | JsmolC[Si](C)(C)OS(=O)(=O)OC(=O)N1C=CC2=CC=CC=C21 | TMS | 313.044 | Standard polar | 3248.6943 |
RI01722850 | Indole carboxylic acid sulfate,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OS(=O)(=O)OC(=O)N1C=CC2=CC=CC=C21 | TBDMS | 355.091 | Standard polar | 3232.5146 |
RI01722851 | 5-Hydroxytryptophol sulfate,1TMS,isomer#1 | JsmolC[Si](C)(C)OCCC1=C[NH]C2=CC=C(OS(=O)(=O)[O-])C=C12 | TMS | 328.068 | Standard non polar | 2358.4897 |
RI01722852 | 5-Hydroxytryptophol sulfate,1TMS,isomer#2 | JsmolC[Si](C)(C)N1C=C(CCO)C2=CC(OS(=O)(=O)[O-])=CC=C21 | TMS | 328.068 | Standard non polar | 2358.517 |
RI01722853 | 5-Hydroxytryptophol sulfate,2TMS,isomer#1 | JsmolC[Si](C)(C)OCCC1=CN([Si](C)(C)C)C2=CC=C(OS(=O)(=O)[O-])C=C12 | TMS | 400.1076 | Standard non polar | 2489.8352 |
RI01722854 | 5-Hydroxytryptophol sulfate,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OCCC1=C[NH]C2=CC=C(OS(=O)(=O)[O-])C=C12 | TBDMS | 370.115 | Standard non polar | 2593.189 |
RI01722855 | 5-Hydroxytryptophol sulfate,1TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)N1C=C(CCO)C2=CC(OS(=O)(=O)[O-])=CC=C21 | TBDMS | 370.115 | Standard non polar | 2553.8616 |
RI01722856 | 5-Hydroxytryptophol sulfate,2TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OCCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(OS(=O)(=O)[O-])C=C12 | TBDMS | 484.2015 | Standard non polar | 2922.5999 |
RI01722857 | 5-Hydroxytryptophol sulfate,1TMS,isomer#1 | JsmolC[Si](C)(C)OCCC1=C[NH]C2=CC=C(OS(=O)(=O)[O-])C=C12 | TMS | 328.068 | Semi standard non polar | 2400.6545 |
RI01722858 | 5-Hydroxytryptophol sulfate,1TMS,isomer#2 | JsmolC[Si](C)(C)N1C=C(CCO)C2=CC(OS(=O)(=O)[O-])=CC=C21 | TMS | 328.068 | Semi standard non polar | 2385.4756 |