Spectrum Details
FooDB ID:FDB023035
Compound Name:N-[(3a,5b,7a,12a)-3,12-Dihydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-glycine
Derivative IUPAC Name:Not Available
Derivative SMILES:Semi standard non polar
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - GC-MS ("N-[(3a,5b,7a,12a)-3,12-dihydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-Glycine,1TMS,#1" TMS) - 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:TMS
Molecular Weight (Monoisotopic Mass):4358.65 Da
Derivative Type:"N-[(3a,5b,7a,12a)-3,12-dihydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-Glycine,1TMS,#1" TMS
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: Semi standard non polar)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file762 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available