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Spectrum Details
T3DB ID:T3D4715
Compound Name:Teniposide
Derivative IUPAC Name:(10R,11R,15R,16S)-16-{[(4aR,6R,7R,8S,8aR)-2-(thiophen-2-yl)-7,8-bis[(trimethylsilyl)oxy]-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]oxy}-10-(4-hydroxy-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]5COC(C6=CC=CS6)O[C@H]5[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@H]3COC(=O)[C@H]23)OCO4)=CC(OC)=C1O
Derivative InChIKey:InChIKey=UUQIHYZKRGONLO-WZJHQCQPSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 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:C32H32O13S
Molecular Weight (Monoisotopic Mass):656.1564 Da
Derivative Type:TMS_2_3
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]5COC(C6=CC=CS6)O[C@H]5[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@H]3COC(=O)[C@H]23)OCO4)=CC(OC)=C1O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file752 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available