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Spectrum Details
HMDB ID:HMDB0247486
Compound Name:Mdz-glucuronide
Derivative IUPAC Name:Not Available
Derivative SMILES:C[Si](C)(C)OC(=O)C1OC(OCC2=NC=C3CN=C(C4=CC=CC=C4F)C4=CC(Cl)=CC=C4N32)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - Mdz-glucuronide GC-MS (TMS_3_3) - 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:C24H21ClFN3O7
Molecular Weight (Monoisotopic Mass):517.1052 Da
Derivative Type:TMS_3_3
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC(=O)C1OC(OCC2=NC=C3CN=C(C4=CC=CC=C4F)C4=CC(Cl)=CC=C4N32)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file754 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available