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Displaying retention index compounds 22301 - 22325 of 1722868 in total
RIpred ID Structure Name Chemical Structure Derivatization Type
Base compound Mass
GC Column/Stationary Phase Retention Index
7-Hydroxy-3-oxocholanoic acid,3TMS,isomer#1JsmolC[C@H](CCC(=O)O[Si](C)(C)C)C1CC[C@H]2[C@@H]3[C@@H](O[Si](C)(C)C)C[C@H]4CC(O[Si](C)(C)C)=CC[C@]4(C)[C@H]3CC[C@]12CTMS606.3956Semi standard non polar3272.7766
7-Hydroxy-3-oxocholanoic acid,3TMS,isomer#2JsmolC[C@H](CCC(=O)O[Si](C)(C)C)C1CC[C@H]2[C@@H]3[C@@H](O[Si](C)(C)C)C[C@H]4C=C(O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12CTMS606.3956Semi standard non polar3249.7092
7-Hydroxy-3-oxocholanoic acid,3TBDMS,isomer#1JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC[C@H]2[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]4CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3CC[C@]12CTBDMS732.5364Semi standard non polar3916.957
7-Hydroxy-3-oxocholanoic acid,3TBDMS,isomer#2JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC[C@H]2[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]4C=C(O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12CTBDMS732.5364Semi standard non polar3879.6504
7-Hydroxy-3-oxocholanoic acid,3TMS,isomer#1JsmolC[C@H](CCC(=O)O[Si](C)(C)C)C1CC[C@H]2[C@@H]3[C@@H](O[Si](C)(C)C)C[C@H]4CC(O[Si](C)(C)C)=CC[C@]4(C)[C@H]3CC[C@]12CTMS606.3956Standard polar3611.0056
7-Hydroxy-3-oxocholanoic acid,3TMS,isomer#2JsmolC[C@H](CCC(=O)O[Si](C)(C)C)C1CC[C@H]2[C@@H]3[C@@H](O[Si](C)(C)C)C[C@H]4C=C(O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12CTMS606.3956Standard polar3610.813
7-Hydroxy-3-oxocholanoic acid,3TBDMS,isomer#1JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC[C@H]2[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]4CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3CC[C@]12CTBDMS732.5364Standard polar3854.5793
7-Hydroxy-3-oxocholanoic acid,3TBDMS,isomer#2JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC[C@H]2[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]4C=C(O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12CTBDMS732.5364Standard polar3855.494
AllantoinJsmolNC(=O)NC1NC(=O)NC1=OUnderivatized158.044Standard polar3170.1436
Allantoin,1TMS,isomer#1JsmolC[Si](C)(C)NC(=O)NC1NC(=O)NC1=OTMS230.0835Standard non polar1949.9053
Allantoin,1TMS,isomer#2JsmolC[Si](C)(C)N(C(N)=O)C1NC(=O)NC1=OTMS230.0835Standard non polar1917.8713
Allantoin,1TMS,isomer#3JsmolC[Si](C)(C)N1C(=O)NC(=O)C1NC(N)=OTMS230.0835Standard non polar1922.9601
Allantoin,1TMS,isomer#4JsmolC[Si](C)(C)N1C(=O)NC(NC(N)=O)C1=OTMS230.0835Standard non polar1906.6685
Allantoin,2TMS,isomer#1JsmolC[Si](C)(C)N(C(=O)NC1NC(=O)NC1=O)[Si](C)(C)CTMS302.123Standard non polar2057.8557
Allantoin,2TMS,isomer#2JsmolC[Si](C)(C)NC(=O)N(C1NC(=O)NC1=O)[Si](C)(C)CTMS302.123Standard non polar2055.4775
Allantoin,2TMS,isomer#3JsmolC[Si](C)(C)NC(=O)NC1C(=O)NC(=O)N1[Si](C)(C)CTMS302.123Standard non polar2043.362
Allantoin,2TMS,isomer#4JsmolC[Si](C)(C)NC(=O)NC1NC(=O)N([Si](C)(C)C)C1=OTMS302.123Standard non polar2025.917
Allantoin,2TMS,isomer#5JsmolC[Si](C)(C)N(C(N)=O)C1C(=O)NC(=O)N1[Si](C)(C)CTMS302.123Standard non polar1993.6696
Allantoin,2TMS,isomer#6JsmolC[Si](C)(C)N1C(=O)NC(N(C(N)=O)[Si](C)(C)C)C1=OTMS302.123Standard non polar1965.2152
Allantoin,2TMS,isomer#7JsmolC[Si](C)(C)N1C(=O)C(NC(N)=O)N([Si](C)(C)C)C1=OTMS302.123Standard non polar1944.3629
Allantoin,3TMS,isomer#1JsmolC[Si](C)(C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C1NC(=O)NC1=OTMS374.1626Standard non polar2105.5208
Allantoin,3TMS,isomer#2JsmolC[Si](C)(C)N1C(=O)NC(=O)C1NC(=O)N([Si](C)(C)C)[Si](C)(C)CTMS374.1626Standard non polar2132.4119
Allantoin,3TMS,isomer#3JsmolC[Si](C)(C)N1C(=O)NC(NC(=O)N([Si](C)(C)C)[Si](C)(C)C)C1=OTMS374.1626Standard non polar2151.1353
Allantoin,3TMS,isomer#4JsmolC[Si](C)(C)NC(=O)N(C1C(=O)NC(=O)N1[Si](C)(C)C)[Si](C)(C)CTMS374.1626Standard non polar2150.251
Allantoin,3TMS,isomer#5JsmolC[Si](C)(C)NC(=O)N(C1NC(=O)N([Si](C)(C)C)C1=O)[Si](C)(C)CTMS374.1626Standard non polar2145.0808
Displaying retention index compounds 22301 - 22325 of 1722868 in total