RI01722926 | 3-Hydroxyphenylacetylglutamine sulfate,1TMS,isomer#4 | JsmolC[Si](C)(C)OS(=O)(=O)OC1=CC=CC(CC(O)=N[C@@H](C(=N)O)C(=O)O)=C1 | TMS | 404.071 | Standard non polar | 2717.7585 |
RI01722925 | 3-Hydroxyphenylacetylglutamine sulfate,1TMS,isomer#3 | JsmolC[Si](C)(C)OC(=O)[C@@H](N=C(O)CC1=CC=CC(OS(=O)(=O)O)=C1)C(=N)O | TMS | 404.071 | Standard non polar | 2636.3174 |
RI01722924 | 3-Hydroxyphenylacetylglutamine sulfate,1TMS,isomer#2 | JsmolC[Si](C)(C)OC(=N)[C@H](N=C(O)CC1=CC=CC(OS(=O)(=O)O)=C1)C(=O)O | TMS | 404.071 | Standard non polar | 2694.0679 |
RI01722923 | 3-Hydroxyphenylacetylglutamine sulfate,1TMS,isomer#1 | JsmolC[Si](C)(C)OC(CC1=CC=CC(OS(=O)(=O)O)=C1)=N[C@@H](C(=N)O)C(=O)O | TMS | 404.071 | Standard non polar | 2659.6282 |
RI01722922 | 3-Hydroxycinnamoylglycine sulfate,3TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)CN=C(/C=C/C1=CC=CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)=C1)O[Si](C)(C)C(C)(C)C | TBDMS | 643.2851 | Standard polar | 3702.822 |
RI01722921 | 3-Hydroxycinnamoylglycine sulfate,2TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)OC(=O)CN=C(O)/C=C/C1=CC=CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)=C1 | TBDMS | 529.1986 | Standard polar | 3979.6257 |
RI01722920 | 3-Hydroxycinnamoylglycine sulfate,2TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC(/C=C/C1=CC=CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)=C1)=NCC(=O)O | TBDMS | 529.1986 | Standard polar | 3940.431 |
RI01722919 | 3-Hydroxycinnamoylglycine sulfate,2TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)CN=C(/C=C/C1=CC=CC(OS(=O)(=O)O)=C1)O[Si](C)(C)C(C)(C)C | TBDMS | 529.1986 | Standard polar | 3918.2966 |
RI01722918 | 3-Hydroxycinnamoylglycine sulfate,1TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)OS(=O)(=O)OC1=CC=CC(/C=C/C(O)=NCC(=O)O)=C1 | TBDMS | 415.1121 | Standard polar | 4354.018 |
RI01722917 | 3-Hydroxycinnamoylglycine sulfate,1TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC(=O)CN=C(O)/C=C/C1=CC=CC(OS(=O)(=O)O)=C1 | TBDMS | 415.1121 | Standard polar | 4388.9526 |
RI01722916 | 3-Hydroxycinnamoylglycine sulfate,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(/C=C/C1=CC=CC(OS(=O)(=O)O)=C1)=NCC(=O)O | TBDMS | 415.1121 | Standard polar | 4360.736 |
RI01722915 | 3-Hydroxycinnamoylglycine sulfate,3TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)CN=C(/C=C/C1=CC=CC(OS(=O)(=O)O[Si](C)(C)C)=C1)O[Si](C)(C)C | TMS | 517.1442 | Standard polar | 3622.835 |
RI01722914 | 3-Hydroxycinnamoylglycine sulfate,2TMS,isomer#3 | JsmolC[Si](C)(C)OC(=O)CN=C(O)/C=C/C1=CC=CC(OS(=O)(=O)O[Si](C)(C)C)=C1 | TMS | 445.1047 | Standard polar | 4002.9868 |
RI01722913 | 3-Hydroxycinnamoylglycine sulfate,2TMS,isomer#2 | JsmolC[Si](C)(C)OC(/C=C/C1=CC=CC(OS(=O)(=O)O[Si](C)(C)C)=C1)=NCC(=O)O | TMS | 445.1047 | Standard polar | 3978.1375 |
RI01722912 | 3-Hydroxycinnamoylglycine sulfate,2TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)CN=C(/C=C/C1=CC=CC(OS(=O)(=O)O)=C1)O[Si](C)(C)C | TMS | 445.1047 | Standard polar | 3966.1147 |
RI01722911 | 3-Hydroxycinnamoylglycine sulfate,1TMS,isomer#3 | JsmolC[Si](C)(C)OS(=O)(=O)OC1=CC=CC(/C=C/C(O)=NCC(=O)O)=C1 | TMS | 373.0651 | Standard polar | 4404.259 |
RI01722910 | 3-Hydroxycinnamoylglycine sulfate,1TMS,isomer#2 | JsmolC[Si](C)(C)OC(=O)CN=C(O)/C=C/C1=CC=CC(OS(=O)(=O)O)=C1 | TMS | 373.0651 | Standard polar | 4450.344 |
RI01722909 | 3-Hydroxycinnamoylglycine sulfate,1TMS,isomer#1 | JsmolC[Si](C)(C)OC(/C=C/C1=CC=CC(OS(=O)(=O)O)=C1)=NCC(=O)O | TMS | 373.0651 | Standard polar | 4423.852 |
RI01722908 | 3-Hydroxycinnamoylglycine sulfate,3TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)CN=C(/C=C/C1=CC=CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)=C1)O[Si](C)(C)C(C)(C)C | TBDMS | 643.2851 | Semi standard non polar | 3420.1746 |
RI01722907 | 3-Hydroxycinnamoylglycine sulfate,2TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)OC(=O)CN=C(O)/C=C/C1=CC=CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)=C1 | TBDMS | 529.1986 | Semi standard non polar | 3247.1577 |
RI01722906 | 3-Hydroxycinnamoylglycine sulfate,2TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC(/C=C/C1=CC=CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)=C1)=NCC(=O)O | TBDMS | 529.1986 | Semi standard non polar | 3266.7715 |
RI01722905 | 3-Hydroxycinnamoylglycine sulfate,2TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)CN=C(/C=C/C1=CC=CC(OS(=O)(=O)O)=C1)O[Si](C)(C)C(C)(C)C | TBDMS | 529.1986 | Semi standard non polar | 3259.855 |
RI01722904 | 3-Hydroxycinnamoylglycine sulfate,1TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)OS(=O)(=O)OC1=CC=CC(/C=C/C(O)=NCC(=O)O)=C1 | TBDMS | 415.1121 | Semi standard non polar | 3062.206 |
RI01722903 | 3-Hydroxycinnamoylglycine sulfate,1TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC(=O)CN=C(O)/C=C/C1=CC=CC(OS(=O)(=O)O)=C1 | TBDMS | 415.1121 | Semi standard non polar | 3063.5332 |
RI01722902 | 3-Hydroxycinnamoylglycine sulfate,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(/C=C/C1=CC=CC(OS(=O)(=O)O)=C1)=NCC(=O)O | TBDMS | 415.1121 | Semi standard non polar | 3074.455 |