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Spectrum Details
T3DB ID:T3D3951
Compound Name:Demeclocycline
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_3_12) - 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:C21H21ClN2O8
Molecular Weight (Monoisotopic Mass):464.0986 Da
Molecular Weight (Avergae Mass):464.853 Da
Derivative Type:TBDMS_3_12
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC(Cl)=C4[C@@H](O)[C@H]3C[C@@H]12)
Documentation
Document DescriptionDownload
List of m/z values for the spectrumDownload file
mzML formatted fileDownload file
References
Not Available