| RI00009876 | Isocitric acid,2TBDMS,isomer#4 | JsmolCC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(=O)O | TBDMS | 420.2 | Semi standard non polar | 2216.2693 |
| RI00009877 | Isocitric acid,2TBDMS,isomer#5 | JsmolCC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O)C(O)C(=O)O[Si](C)(C)C(C)(C)C | TBDMS | 420.2 | Semi standard non polar | 2202.829 |
| RI00009878 | Isocitric acid,2TBDMS,isomer#6 | JsmolCC(C)(C)[Si](C)(C)OC(=O)C(O)C(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C | TBDMS | 420.2 | Semi standard non polar | 2207.8445 |
| RI00009879 | Isocitric acid,3TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | TBDMS | 534.2864 | Semi standard non polar | 2433.7864 |
| RI00009880 | Isocitric acid,3TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | TBDMS | 534.2864 | Semi standard non polar | 2449.2178 |
| RI00009881 | Isocitric acid,3TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O | TBDMS | 534.2864 | Semi standard non polar | 2450.9976 |
| RI00009882 | Isocitric acid,3TBDMS,isomer#4 | JsmolCC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(=O)O[Si](C)(C)C(C)(C)C | TBDMS | 534.2864 | Semi standard non polar | 2434.4944 |
| RI00009883 | Isocitric acid,4TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | TBDMS | 648.3729 | Semi standard non polar | 2625.5276 |
| RI00009884 | Isocitric acid | JsmolOC(C(CC(O)=O)C(O)=O)C(O)=O | Underivatized | 192.027 | Standard polar | 2891.9834 |
| RI00009885 | Isocitric acid | JsmolOC(C(CC(O)=O)C(O)=O)C(O)=O | Underivatized | 192.027 | Standard non polar | 1240.9163 |
| RI00009886 | Isocitric acid | JsmolOC(C(CC(O)=O)C(O)=O)C(O)=O | Underivatized | 192.027 | Semi standard non polar | 1765.2155 |
| RI00009887 | Anserine,1TMS,isomer#1 | JsmolCN1C=NC=C1C[C@H](NC(=O)CCN)C(=O)O[Si](C)(C)C | TMS | 312.1618 | Semi standard non polar | 2402.9226 |
| RI00009888 | Anserine,1TMS,isomer#2 | JsmolCN1C=NC=C1C[C@H](NC(=O)CCN[Si](C)(C)C)C(=O)O | TMS | 312.1618 | Semi standard non polar | 2498.825 |
| RI00009889 | Anserine,1TMS,isomer#3 | JsmolCN1C=NC=C1C[C@@H](C(=O)O)N(C(=O)CCN)[Si](C)(C)C | TMS | 312.1618 | Semi standard non polar | 2320.8833 |
| RI00009890 | Anserine,1TBDMS,isomer#1 | JsmolCN1C=NC=C1C[C@H](NC(=O)CCN)C(=O)O[Si](C)(C)C(C)(C)C | TBDMS | 354.2087 | Semi standard non polar | 2676.537 |
| RI00009891 | Anserine,1TBDMS,isomer#2 | JsmolCN1C=NC=C1C[C@H](NC(=O)CCN[Si](C)(C)C(C)(C)C)C(=O)O | TBDMS | 354.2087 | Semi standard non polar | 2732.7458 |
| RI00009892 | Anserine,1TBDMS,isomer#3 | JsmolCN1C=NC=C1C[C@@H](C(=O)O)N(C(=O)CCN)[Si](C)(C)C(C)(C)C | TBDMS | 354.2087 | Semi standard non polar | 2598.1362 |
| RI00009893 | Anserine | JsmolCN1C=NC=C1C[C@H](NC(=O)CCN)C(O)=O | Underivatized | 240.1222 | Standard polar | 3285.5564 |
| RI00009894 | Anserine,2TMS,isomer#1 | JsmolCN1C=NC=C1C[C@H](NC(=O)CCN[Si](C)(C)C)C(=O)O[Si](C)(C)C | TMS | 384.2013 | Standard non polar | 2352.826 |
| RI00009895 | Anserine,2TMS,isomer#2 | JsmolCN1C=NC=C1C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CCN)[Si](C)(C)C | TMS | 384.2013 | Standard non polar | 2275.9937 |
| RI00009896 | Anserine,2TMS,isomer#3 | JsmolCN1C=NC=C1C[C@@H](C(=O)O)N(C(=O)CCN[Si](C)(C)C)[Si](C)(C)C | TMS | 384.2013 | Standard non polar | 2415.1018 |
| RI00009897 | Anserine,2TMS,isomer#4 | JsmolCN1C=NC=C1C[C@H](NC(=O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O | TMS | 384.2013 | Standard non polar | 2522.9856 |
| RI00009898 | Anserine,3TMS,isomer#1 | JsmolCN1C=NC=C1C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CCN[Si](C)(C)C)[Si](C)(C)C | TMS | 456.2408 | Standard non polar | 2405.7407 |
| RI00009899 | Anserine,3TMS,isomer#2 | JsmolCN1C=NC=C1C[C@H](NC(=O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C | TMS | 456.2408 | Standard non polar | 2471.8337 |
| RI00009900 | Anserine,3TMS,isomer#3 | JsmolCN1C=NC=C1C[C@@H](C(=O)O)N(C(=O)CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | TMS | 456.2408 | Standard non polar | 2563.354 |