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Spectrum Details
HMDB ID:HMDB0015343
Compound Name:Ceftriaxone
Derivative IUPAC Name:Not Available
Derivative SMILES:CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NC(=O)C(=O)[NH]N3C)CS[C@H]12)C1=CSC(N[Si](C)(C)C(C)(C)C)=N1
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - Ceftriaxone GC-MS (TBDMS_1_2) - 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:C18H18N8O7S3
Molecular Weight (Monoisotopic Mass):554.0461 Da
Derivative Type:TBDMS_1_2
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NC(=O)C(=O)[NH]N3C)CS[C@H]12)C1=CSC(N[Si](C)(C)C(C)(C)C)=N1)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file759 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available