Hmdb loader
Spectrum Details
HMDB ID:HMDB0010357
Compound Name:Tetrahydroaldosterone-3-glucuronide
Derivative IUPAC Name:Not Available
Derivative SMILES:C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]3O)CC1CCC1C3CC[C@H](C(=O)CO)C34C[C@H](OC4O)C12
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - Tetrahydroaldosterone-3-glucuronide GC-MS (TMS_2_14) - 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:C27H40O11
Molecular Weight (Monoisotopic Mass):540.2571 Da
Derivative Type:TMS_2_14
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[C@]12CCC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]3O)CC1CCC1C3CC[C@H](C(=O)CO)C34C[C@H](OC4O)C12)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file753 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available