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Spectrum Details
Compound Name:Docetaxel
Derivative IUPAC Name:Not Available
Derivative SMILES:CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(O[Si](C)(C)C)=C(O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C4=CC=CC=C4)C[C@@](O)([C@@H](OC(=O)C4=CC=CC=C4)[C@@H]12)C3(C)C
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - Docetaxel GC-MS (TMS_1_5) - 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
Derivative Type:TMS_1_5
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[Si](C)(C)C)=C(O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C4=CC=CC=C4)C[C@@](O)([C@@H](OC(=O)C4=CC=CC=C4)[C@@H]12)C3(C)C)
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file767 Bytes
mzML formatted file (MZML)Download file4.66 KB
Not Available