Spectrum Details
FooDB ID:FDB012335
Compound Name:Taurocholic acid
Derivative IUPAC Name:Not Available
Derivative SMILES:CC(CCC(=NCCS(=O)(=O)O)O[Si](C)(C)C)C1CCC2C3C(O[Si](C)(C)C)CC4CC(O)CCC4(C)C3CC(O)C12C
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - 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:C26H45NO7S
Molecular Weight (Monoisotopic Mass):515.2917 Da
Derivative Type:TMS_2_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(CCC(=NCCS(=O)(=O)O)O[Si](C)(C)C)C1CCC2C3C(O[Si](C)(C)C)CC4CC(O)CCC4(C)C3CC(O)C12C)
Documentation
Document DescriptionDownload
List of m/z values for the spectrumDownload file
mzML formatted fileDownload file
References
Not Available