Spectrum Details
T3DB ID:T3D4695
Compound Name:Etoposide
Derivative IUPAC Name:(10R,11R,15R,16S)-16-{[(2R,4aR,6R,7R,8R,8aR)-8-[(tert-butyldimethylsilyl)oxy]-7-hydroxy-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]oxy}-10-{4-[(tert-butyldimethylsilyl)oxy]-3,5-dimethoxyphenyl}-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one
Derivative SMILES:COC1=CC([C@@H]2C3=CC4=C(C=C3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)=CC(OC)=C1O[Si](C)(C)C(C)(C)C
Derivative InChIKey:InChIKey=AIYPYJLHSLJVFG-SUQKSFLFSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_2_1) - 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:C29H32O13
Molecular Weight (Monoisotopic Mass):588.1843 Da
Derivative Type:TBDMS_2_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC1=CC([C@@H]2C3=CC4=C(C=C3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)=CC(OC)=C1O[Si](C)(C)C(C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file748 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available