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Spectrum Details
T3DB ID:T3D3501
Compound Name:Docetaxel
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_6) - 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:C43H53NO14
Molecular Weight (Monoisotopic Mass):807.3466 Da
Molecular Weight (Avergae Mass):807.8792 Da
Derivative Type:TMS_1_6
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@H](C4=CC=CC=C4)N(C(=O)OC(C)(C)C)[Si](C)(C)C)C[C@@](O)([C@@H](OC(=O)C4=CC=CC=C4)[C@@H]12)C3(C)C)
Documentation
Document DescriptionDownload
List of m/z values for the spectrumDownload file
mzML formatted fileDownload file
References
Not Available