Hmdb loader
Spectrum Details
HMDB ID:HMDB0033696
Compound Name:beta-Solanine
Derivative IUPAC Name:Not Available
Derivative SMILES:CC1CCC2C(C)C3C(CC4C5CC=C6CC(OC7OC(CO)C(O)C(OC8OC(CO)C(O[Si](C)(C)C)C(O)C8O[Si](C)(C)C)C7O)CCC6(C)C5CCC43C)N2C1
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - beta-Solanine GC-MS (TMS_2_17) - 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:C39H63NO11
Molecular Weight (Monoisotopic Mass):721.4401 Da
Derivative Type:TMS_2_17
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1CCC2C(C)C3C(CC4C5CC=C6CC(OC7OC(CO)C(O)C(OC8OC(CO)C(O[Si](C)(C)C)C(O)C8O[Si](C)(C)C)C7O)CCC6(C)C5CCC43C)N2C1)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file761 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available