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Spectrum Details
HMDB ID:HMDB0000367
Compound Name:3a,6b,7b,12a-Tetrahydroxy-5b-cholanoic acid
Derivative IUPAC Name:Not Available
Derivative SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O[Si](C)(C)C)[C@@H]3O
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - 3a,6b,7b,12a-Tetrahydroxy-5b-cholanoic acid GC-MS (TMS_1_4) - 70eV, Positive
Splash Key:Not Available
Notes:This is a predicted spectrum, and it should only be used as a guide. Further evidence is required to confirm identification.
Spectrum View
Experimental Conditions
Ionization Mode:Positive
Ionization Energy:70 eV
Chromatography Type:Gas Chromatography Column (GC)
Instrument Type:Single quadrupole, spectrum predicted by CFM-ID(EI)
Mass Resolution:0.0001 Da
Molecular Formula:C24H40O6
Molecular Weight (Monoisotopic Mass):424.2825 Da
Derivative Type:TMS_1_4
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O[Si](C)(C)C)[C@@H]3O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file748 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available