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Spectrum Details
HMDB ID:HMDB0010355
Compound Name:Cholestane-3,7,12,25-tetrol-3-glucuronide
Derivative IUPAC Name:Not Available
Derivative SMILES:C[C@H](CCCC(C)(C)O[Si](C)(C)C)[C@H]1CCC2C3C(O[Si](C)(C)C)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - Cholestane-3,7,12,25-tetrol-3-glucuronide GC-MS (TMS_2_1) - 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:C33H56O10
Molecular Weight (Monoisotopic Mass):612.3873 Da
Derivative Type:TMS_2_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[C@H](CCCC(C)(C)O[Si](C)(C)C)[C@H]1CCC2C3C(O[Si](C)(C)C)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file762 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available